data_2kq2_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 2kq2 _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 ' 3' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 . . . . . 0 N--CA 1.462 0.144 0 CA-C-O 120.959 0.409 . . . . 72.44 111.239 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -74.26 -23.58 59.15 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.496 0.665 . . . . 74.33 110.093 172.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.1 p -94.79 93.74 7.67 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.382 -0.826 . . . . 63.35 111.202 -176.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 57.21 173.88 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 O-C-N 124.2 0.938 . . . . 51.42 113.008 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -137.16 143.11 42.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.929 -1.032 . . . . 73.54 108.474 172.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.455 ' HB2' HG11 ' A' ' 27' ' ' VAL . 18.0 m-20 -113.64 138.86 49.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.849 0.357 . . . . 72.32 110.316 -177.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.7 t -128.82 111.02 22.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.594 -0.521 . . . . 74.42 109.594 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.748 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 47.9 m-85 -86.26 126.85 34.58 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.799 -0.445 . . . . 75.32 109.799 177.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.451 ' HA ' ' O ' ' A' ' 23' ' ' ALA . 14.9 t -152.1 12.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.303 -0.408 . . . . 63.44 111.596 -175.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.408 ' HB3' HD22 ' A' ' 124' ' ' ASN . 36.2 t70 -85.96 79.03 9.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.431 0.634 . . . . 75.35 110.788 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.66 108.47 3.67 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.088 -1.205 . . . . 73.33 110.088 171.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.4 p -58.01 120.75 9.1 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.094 0.473 . . . . 73.14 111.445 -176.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -69.13 148.5 49.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.611 -0.722 . . . . 72.3 110.575 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.534 HG23 ' ND2' ' A' ' 17' ' ' ASN . 13.6 p -128.45 130.55 69.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.148 -0.478 . . . . 73.43 110.255 -177.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.534 ' ND2' HG23 ' A' ' 16' ' ' VAL . 62.0 m-80 60.52 28.7 18.38 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.731 -0.668 . . . . 63.21 111.051 -177.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.54 -12.13 35.44 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 121.015 -0.612 . . . . 74.2 112.942 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -74.14 127.03 31.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.888 0.375 . . . . 62.12 110.928 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -98.35 134.44 41.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.826 -0.624 . . . . 73.32 110.552 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.35 150.23 47.38 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.449 -0.945 . . . . 61.25 108.449 172.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -96.45 129.97 43.7 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.042 -0.663 . . . . 74.4 110.296 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.761 ' HB3' HG21 ' A' ' 127' ' ' VAL . . . -127.73 135.56 50.33 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.314 -0.857 . . . . 71.23 108.72 177.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -141.98 137.6 31.32 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.196 0.522 . . . . 75.21 111.239 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.748 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . -131.79 112.5 12.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.083 -0.962 . . . . 73.23 109.673 176.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -84.54 102.96 13.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.307 0.575 . . . . 73.42 109.928 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.557 ' HB ' HG22 ' A' ' 32' ' ' VAL . 2.5 p -111.54 130.84 64.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.362 -0.835 . . . . 55.35 111.242 -176.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 29' ' ' ASP . 21.9 mtpp -130.95 135.41 47.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.273 -0.876 . . . . 74.25 108.888 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.409 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 29.9 t70 69.16 9.22 7.26 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.853 0.835 . . . . 73.2 110.623 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.12 -1.22 79.84 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.708 -0.758 . . . . 72.3 111.524 -175.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -103.74 127.16 51.24 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.577 -0.527 . . . . 74.43 109.577 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.557 HG22 ' HB ' ' A' ' 27' ' ' VAL . 71.3 t -81.38 118.02 28.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.471 -0.566 . . . . 64.45 109.471 178.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -71.73 -40.45 69.41 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.827 -0.434 . . . . 71.44 109.827 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -171.96 160.6 5.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.698 -0.683 . . . . 74.52 109.167 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.74 160.29 40.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.373 -0.376 . . . . 73.44 110.407 175.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -162.47 166.92 24.32 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.935 -0.765 . . . . 72.32 108.935 177.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -165.97 139.64 4.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.679 -0.237 . . . . 54.51 110.77 -175.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.585 ' HA ' ' CB ' ' A' ' 134' ' ' ALA . 18.8 t0 -162.24 173.61 13.99 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.528 -0.545 . . . . 72.32 109.528 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.9 m -95.13 156.58 3.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.728 0.299 . . . . 75.41 110.905 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.29 92.49 0.44 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.674 -0.774 . . . . 73.02 112.217 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -100.58 89.29 3.87 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.858 -0.423 . . . . 75.41 109.858 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -137.29 150.66 69.6 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.922 -0.581 . . . . 72.31 109.928 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.6 -36.59 92.17 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.814 2.342 . . . . 75.21 112.74 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.78 -6.03 46.68 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.135 0.42 . . . . 74.33 112.135 -177.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.549 ' HB3' HH21 ' A' ' 49' ' ' ARG . . . -73.62 -6.93 49.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.725 0.298 . . . . 71.42 111.441 -178.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' A' ' 49' ' ' ARG . . . -63.25 -21.23 66.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 71.31 111.037 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.9 m -58.63 -29.89 66.87 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.212 0.53 . . . . 73.03 110.961 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.4 mtm -107.94 -46.35 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 73.34 110.356 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.556 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 26.4 mtm-85 -111.23 105.89 14.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.698 -0.683 . . . . 74.45 110.138 -176.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -82.01 10.0 7.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.977 -0.556 . . . . 71.1 111.18 -173.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.5 t -53.87 -29.44 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 115.607 -0.724 . . . . 74.34 111.106 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.37 -23.57 16.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.614 -0.721 . . . . 74.33 111.756 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.51 -50.13 64.41 Favored Glycine 0 C--N 1.334 0.427 0 C-N-CA 120.94 -0.648 . . . . 74.44 111.935 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -66.03 -38.42 88.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.917 0.389 . . . . 64.55 110.083 177.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.31 -30.85 51.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.851 -0.613 . . . . 72.11 110.698 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.44 -39.53 70.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.215 -0.448 . . . . 74.03 110.64 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.432 ' HA ' ' HD2' ' A' ' 60' ' ' TYR . . . -72.15 -28.94 63.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.14 0.495 . . . . 70.14 110.488 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.456 ' O ' HG22 ' A' ' 62' ' ' VAL . . . -66.23 -24.9 66.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.839 -0.619 . . . . 42.04 110.632 175.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.25 -39.27 93.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.346 -0.613 . . . . 72.15 109.346 176.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.432 ' HD2' ' HA ' ' A' ' 57' ' ' ALA . 97.4 m-85 -68.57 -33.48 74.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.853 -0.612 . . . . 72.53 110.244 176.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.53 -39.1 91.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.322 176.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 58' ' ' ALA . 92.7 t -62.99 -43.91 99.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.985 -0.552 . . . . 71.21 110.259 175.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -66.47 -39.21 88.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.079 -0.509 . . . . 64.44 110.237 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -66.26 -35.81 81.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.721 -0.672 . . . . 73.44 111.047 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.52 -32.98 67.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 63.11 111.344 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -38.86 72.16 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.095 -0.502 . . . . 63.31 110.61 177.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -71.15 -33.11 69.73 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.482 -0.781 . . . . 70.43 111.053 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.8 mp -83.11 -24.71 32.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.202 -0.454 . . . . 72.04 111.004 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.87 14.31 46.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.829 -0.7 . . . . 74.3 112.099 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.58 172.0 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 110.168 -0.308 . . . . 75.43 110.168 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 109' ' ' ILE . 31.5 pttt -153.65 178.18 10.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.531 0.205 . . . . 75.23 110.729 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.9 pp -124.73 166.64 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.304 -0.407 . . . . 72.34 110.172 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -135.36 141.75 45.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.631 -0.258 . . . . 74.14 110.307 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.485 HG23 ' HD1' ' A' ' 112' ' ' PHE . 20.8 tt . . . . . 0 C--N 1.321 -0.645 0 N-CA-C 109.4 -0.593 . . . . 63.33 109.4 174.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.725 -0.472 . . . . 74.03 109.725 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.07 19.09 2.29 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 121.358 -0.449 . . . . 65.21 114.045 -172.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.481 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 4.0 mp -97.07 -11.39 8.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.699 0.762 . . . . 65.24 109.37 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -126.13 144.28 50.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.549 -0.751 . . . . 74.12 109.336 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.5 p -169.05 171.39 8.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.945 -0.391 . . . . 72.24 109.945 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.485 ' HD1' HG23 ' A' ' 74' ' ' ILE . 78.2 t80 -122.0 135.22 54.83 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.507 -0.553 . . . . 75.1 109.507 176.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -128.8 124.54 35.68 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.36 -0.607 . . . . 73.01 109.36 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -107.88 110.8 22.66 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.267 0.556 . . . . 64.45 110.909 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.3 m -121.1 162.32 20.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.396 -0.82 . . . . 74.13 109.819 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -111.33 101.83 10.27 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.692 -0.484 . . . . 75.11 109.692 175.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -142.4 117.03 9.75 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.977 -0.556 . . . . 74.41 110.888 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -95.1 12.39 28.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.483 0.659 . . . . 74.41 109.682 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.1 m -87.99 36.53 0.77 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.084 -0.962 . . . . 52.22 110.321 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.29 119.05 11.62 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.593 -0.73 . . . . 65.02 113.112 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.543 HD22 ' HD2' ' A' ' 123' ' ' PHE . 49.7 t30 -54.38 145.78 17.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.782 -0.709 . . . . 64.12 110.107 175.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -53.61 -33.87 56.5 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 111.964 0.357 . . . . 73.12 111.964 -173.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.543 ' HD2' HD22 ' A' ' 121' ' ' ASN . 74.2 m-85 -63.49 -30.96 72.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.418 -0.356 . . . . 74.41 111.455 -178.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.408 HD22 ' HB3' ' A' ' 12' ' ' ASP . 9.0 t30 -77.86 -36.55 49.79 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.039 -0.356 . . . . 74.15 110.039 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.76 -33.67 74.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.292 0.567 . . . . 74.35 110.032 177.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -60.68 -46.77 89.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.137 -0.938 . . . . 72.11 110.715 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.761 HG21 ' HB3' ' A' ' 23' ' ' ALA . 9.9 p -78.25 -26.63 14.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.669 0.271 . . . . 70.32 110.849 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.443 ' O ' ' HD3' ' A' ' 132' ' ' LYS . 14.9 t70 -62.5 -49.45 75.29 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.754 0.311 . . . . 75.31 110.485 178.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 25.1 ptm -63.69 -31.64 72.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.393 -0.367 . . . . 74.53 110.294 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.51 -36.13 82.74 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.25 -0.432 . . . . 65.52 110.417 176.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -67.17 -38.54 85.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.166 -0.47 . . . . 72.15 110.703 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.443 ' HD3' ' O ' ' A' ' 128' ' ' ASP . 0.5 OUTLIER -62.78 -34.25 76.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.123 0.487 . . . . 74.04 110.512 177.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.6 t -60.25 -34.53 73.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.577 -0.738 . . . . 73.35 110.506 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.585 ' CB ' ' HA ' ' A' ' 38' ' ' ASP . . . -72.48 -25.69 61.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 74.21 111.681 -177.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.25 -9.69 57.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.095 0.474 . . . . 73.23 109.944 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 97.53 20.56 21.96 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.551 -0.833 . . . . 51.4 112.322 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.0 mp . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 121.4 0.619 . . . . 73.34 110.453 177.447 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 121.912 0.863 . . . . 74.14 111.205 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -100.22 3.64 43.77 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.143 -1.058 . . . . 73.34 108.143 167.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.78 131.45 45.98 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 114.244 -1.344 . . . . 70.41 110.018 177.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.548 ' HG3' HH22 ' A' ' 73' ' ' ARG . 8.9 pt-20 -58.14 143.83 42.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.824 0.345 . . . . 74.25 110.772 -178.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.59 ' HB2' HG23 ' A' ' 72' ' ' ILE . 10.2 m-85 -72.75 131.59 42.54 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.702 0.63 . . . . 75.0 112.702 -167.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -113.45 130.56 56.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.11 -0.95 . . . . 63.22 109.562 176.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.6 t -121.36 111.73 32.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.515 -0.55 . . . . 75.33 109.515 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.419 ' HD1' HG13 ' A' ' 27' ' ' VAL . 76.0 m-85 -101.03 113.97 27.47 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.593 0.711 . . . . 72.33 110.001 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 t -141.71 94.44 2.68 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.862 -1.063 . . . . 71.54 110.041 -176.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.72 ' HB2' ' HB2' ' A' ' 124' ' ' ASN . 3.2 t0 -98.47 -166.62 1.39 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.702 -0.851 . . . . 63.44 108.702 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.97 67.09 2.11 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.755 -0.736 . . . . 61.5 111.788 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.9 m -77.66 -82.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.092 -0.336 . . . . 64.41 110.092 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -146.89 128.96 15.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.797 0.332 . . . . 75.4 110.364 174.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 p -114.55 125.22 71.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.943 -0.571 . . . . 74.13 109.99 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.7 m120 57.66 26.87 13.47 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.713 -0.676 . . . . 74.03 111.123 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.88 -25.63 26.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.151 -0.547 . . . . 70.24 112.639 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -76.97 125.42 29.28 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.988 -0.375 . . . . 72.43 109.988 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -107.7 149.22 28.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.86 0.362 . . . . 75.33 110.74 -177.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.567 ' HB3' HD21 ' A' ' 135' ' ' LEU . . . -145.6 169.41 18.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.893 -0.594 . . . . 73.31 109.858 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.626 ' CZ2' ' HB3' ' A' ' 38' ' ' ASP . 52.2 p-90 -122.07 129.57 52.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.242 0.544 . . . . 75.15 110.25 176.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.838 ' HB3' HG23 ' A' ' 127' ' ' VAL . . . -152.06 136.82 17.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.275 -0.875 . . . . 72.21 109.095 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -155.4 154.17 31.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.933 0.397 . . . . 75.44 111.231 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.95 122.63 23.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.51 -0.768 . . . . 70.02 109.876 174.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.66 ' HB2' ' HB2' ' A' ' 34' ' ' TYR . 36.0 m-85 -84.25 104.23 14.12 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.007 0.432 . . . . 72.52 110.117 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 3.8 p -118.0 127.93 75.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.553 -0.748 . . . . 74.03 111.153 -176.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -129.05 131.58 47.35 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.051 -0.722 . . . . 73.13 109.051 175.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 t70 66.24 13.07 8.99 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.565 0.698 . . . . 74.22 110.705 174.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.45 1.35 59.15 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.686 -0.688 . . . . 63.2 112.581 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 27' ' ' VAL . 12.3 mptt -109.48 143.08 39.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.095 0.474 . . . . 74.52 110.586 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.7 t -108.75 124.39 65.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.798 -0.637 . . . . 62.21 110.681 -176.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -111.8 -27.35 8.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.348 -0.387 . . . . 74.24 111.411 -177.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.66 ' HB2' ' HB2' ' A' ' 26' ' ' PHE . 94.0 m-85 -129.35 140.46 51.37 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.268 -0.27 . . . . 75.13 110.933 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -157.84 124.17 4.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.737 -0.665 . . . . 74.51 110.034 -178.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -162.68 147.87 12.13 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 110.286 -0.265 . . . . 64.24 110.286 176.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -143.07 136.28 28.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.423 -0.353 . . . . 75.02 110.534 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.626 ' HB3' ' CZ2' ' A' ' 22' ' ' TRP . 32.4 t70 -159.67 168.87 24.97 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.464 -0.569 . . . . 72.42 109.464 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 t -107.38 134.26 49.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.04 0.448 . . . . 74.22 111.375 -176.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.97 108.61 0.01 OUTLIER Glycine 0 CA--C 1.523 0.534 0 CA-C-N 115.294 -0.867 . . . . 73.12 114.034 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -108.53 80.43 1.34 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.662 0.744 . . . . 65.2 110.234 173.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -80.82 153.11 72.69 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.345 -0.843 . . . . 73.3 110.118 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -46.54 -51.9 8.23 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.368 2.712 . . . . 64.23 113.654 -175.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.91 -53.72 29.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.704 -0.226 . . . . 73.24 111.143 -177.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.58 -50.17 72.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 55.01 112.207 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.32 -36.06 81.0 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.796 0.331 . . . . 72.42 111.552 -176.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -76.91 -41.37 43.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.929 0.395 . . . . 75.25 110.542 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 49.4 tpp -62.27 -44.1 97.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.031 -0.532 . . . . 74.15 110.55 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -75.96 -4.11 39.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.799 -0.637 . . . . 75.44 111.508 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.0 t30 70.06 0.66 3.19 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.21 -0.45 . . . . 71.44 112.04 173.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.2 t -56.01 -44.56 78.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.443 -0.344 . . . . 62.14 111.377 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.533 ' HA ' HD11 ' A' ' 55' ' ' ILE . . . -62.66 -16.74 58.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.935 -0.575 . . . . 73.14 112.115 -177.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.18 96.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.039 -0.6 . . . . 74.3 112.744 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.29 -48.61 77.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.972 0.415 . . . . 73.41 110.742 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.618 ' H ' HD12 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -69.47 -28.74 39.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 73.41 111.251 177.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.11 -41.5 97.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.993 0.425 . . . . 42.14 110.339 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.49 -35.52 77.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.26 0.552 . . . . 74.42 110.341 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.48 -22.2 66.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.523 -0.762 . . . . 54.3 111.383 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.3 tp -59.86 -35.45 74.82 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.102 0.477 . . . . 71.43 110.646 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -68.52 -31.32 70.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.067 -0.515 . . . . 75.05 110.724 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.85 -34.94 74.3 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.843 -0.428 . . . . 74.33 109.843 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.1 -39.67 86.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.919 -0.582 . . . . 51.41 110.162 174.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -61.42 -42.58 98.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 73.44 110.624 175.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -63.82 -37.79 88.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.31 -0.404 . . . . 72.32 110.754 175.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.511 ' HB2' HG21 ' A' ' 70' ' ' VAL . . . -65.05 -30.49 71.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.983 -0.553 . . . . 72.52 110.755 177.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.3 t -66.51 -41.88 88.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.219 -0.446 . . . . 63.3 109.81 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -71.68 -28.32 63.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.792 -0.64 . . . . 70.11 110.53 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.6 tp -81.67 -25.72 35.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.691 -0.686 . . . . 51.12 110.644 -178.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.66 34.86 12.57 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.845 -0.693 . . . . 63.04 112.441 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.511 HG21 ' HB2' ' A' ' 65' ' ' ALA . 22.3 m -122.75 -177.35 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 110.093 -0.336 . . . . 73.44 110.093 176.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -152.8 172.99 15.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.678 0.275 . . . . 72.34 110.795 -176.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.59 HG23 ' HB2' ' A' ' 7' ' ' TYR . 38.1 pt -124.59 151.27 29.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.169 -0.468 . . . . 61.42 110.215 177.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.548 HH22 ' HG3' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -106.09 118.67 37.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.605 -0.271 . . . . 73.44 110.925 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 68.4 mt . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 109.628 -0.508 . . . . 64.54 109.628 175.93 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 121.061 0.458 . . . . 62.34 110.827 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.87 -45.07 0.66 Allowed Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.472 -1.051 . . . . 74.11 110.472 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.631 HD11 ' H ' ' A' ' 109' ' ' ILE . 4.1 mp -75.01 -39.9 44.66 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 N-CA-C 108.418 -0.956 . . . . 73.21 108.418 172.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -110.35 144.82 38.51 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.392 -0.966 . . . . 75.24 108.392 170.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.9 t -170.15 160.41 7.98 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.369 -0.604 . . . . 75.43 109.369 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -111.53 142.83 43.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.979 -0.555 . . . . 72.13 109.97 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -136.35 116.56 13.5 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.596 -0.52 . . . . 73.05 109.596 174.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -85.83 86.15 7.37 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.471 0.653 . . . . 74.52 110.235 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.2 p -114.24 135.11 55.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.066 -0.97 . . . . 74.23 109.541 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -127.66 92.28 3.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.431 0.634 . . . . 74.31 110.488 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -121.35 179.49 4.41 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.025 -0.989 . . . . 75.23 108.692 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -86.85 27.33 1.01 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.46 0.648 . . . . 65.21 110.26 -178.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.0 t -91.14 29.32 1.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.462 -0.79 . . . . 72.11 110.416 -177.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -67.65 109.72 3.06 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 116.104 -0.498 . . . . 71.31 112.114 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -78.45 -179.15 6.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.29 0.567 . . . . 73.14 111.086 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 122' ' ' GLU . 0.5 OUTLIER -80.55 -30.84 37.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.449 -0.796 . . . . 73.22 111.188 -175.653 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -65.41 -46.4 80.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.157 -0.474 . . . . 73.44 111.344 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.72 ' HB2' ' HB2' ' A' ' 12' ' ' ASP . 5.3 p-10 -76.31 -32.68 58.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.528 -0.306 . . . . 72.12 110.985 -176.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.16 -43.6 97.82 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.204 0.526 . . . . 73.21 110.701 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.529 ' HA ' ' HE2' ' A' ' 129' ' ' MET . 83.4 t80 -62.07 -46.59 88.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.62 -0.718 . . . . 72.33 111.161 -178.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.838 HG23 ' HB3' ' A' ' 23' ' ' ALA . 5.5 p -77.16 -23.9 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.366 -0.379 . . . . 64.03 110.907 -177.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.575 ' HB2' ' HB3' ' A' ' 12' ' ' ASP . 11.5 t70 -65.3 -37.26 86.59 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.989 0.423 . . . . 73.41 110.278 176.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.529 ' HE2' ' HA ' ' A' ' 126' ' ' TYR . 67.1 mtm -63.23 -45.4 91.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 73.15 109.842 174.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -55.68 -49.94 71.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.409 -0.814 . . . . 73.23 111.325 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.552 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -66.87 -51.54 54.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.286 -0.415 . . . . 74.14 111.938 -176.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -66.97 -30.62 70.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.832 0.308 . . . . 73.14 111.832 -174.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.697 ' HA ' HG22 ' A' ' 137' ' ' ILE . 9.5 t -64.2 -30.94 71.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.059 0.457 . . . . 71.12 110.068 179.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -75.16 -7.21 53.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.975 -0.557 . . . . 74.43 111.35 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' A' ' 21' ' ' ALA . 3.3 mm? -96.45 -0.62 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.592 0.234 . . . . 74.35 110.745 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.24 25.0 35.01 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.13 -1.033 . . . . 74.32 112.684 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.697 HG22 ' HA ' ' A' ' 133' ' ' SER . 12.0 tt . . . . . 0 C--O 1.235 0.313 0 N-CA-C 110.352 -0.24 . . . . 72.13 110.352 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.598 ' HB3' ' HE1' ' A' ' 7' ' ' TYR . 56.8 m-20 . . . . . 0 N--CA 1.466 0.349 0 CA-C-O 121.092 0.472 . . . . 73.45 112.125 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.1 mtt-85 -104.81 -15.87 15.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.378 -0.374 . . . . 70.41 111.988 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.416 ' OG1' ' HA ' ' A' ' 29' ' ' ASP . 41.0 p -101.69 150.52 23.04 Favored 'General case' 0 C--N 1.311 -1.089 0 C-N-CA 120.817 -0.353 . . . . 74.45 110.486 178.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -60.49 153.26 23.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.174 0.511 . . . . 43.51 111.086 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.598 ' HE1' ' HB3' ' A' ' 3' ' ' ASP . 6.0 m-85 -106.4 127.27 53.15 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.203 -0.453 . . . . 75.41 111.175 -170.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.639 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 32.3 m-20 -114.57 90.51 3.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.294 -0.632 . . . . 62.21 109.294 175.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.41 ' O ' HG22 ' A' ' 74' ' ' ILE . 45.4 t -96.95 115.23 35.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.369 -0.378 . . . . 72.22 110.094 -176.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.639 ' CE2' ' HB3' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -143.11 114.99 8.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.5 0.666 . . . . 73.12 112.401 -179.251 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.78 HG21 ' HA ' ' A' ' 24' ' ' TYR . 14.9 p -86.51 93.21 9.11 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.259 -0.882 . . . . 64.52 109.4 170.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -130.19 112.81 13.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.372 -0.376 . . . . 74.22 110.587 -173.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.59 143.73 10.82 Favored Glycine 0 N--CA 1.452 -0.262 0 N-CA-C 111.608 -0.597 . . . . 64.14 111.608 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m -91.24 130.09 37.16 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.957 0.408 . . . . 75.32 111.875 -174.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -72.19 153.91 41.34 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.725 -0.843 . . . . 74.11 108.725 170.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.53 HG12 HD21 ' A' ' 17' ' ' ASN . 7.9 p -154.81 154.44 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.536 -0.466 . . . . 74.22 111.29 -176.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.53 HD21 HG12 ' A' ' 16' ' ' VAL . 61.6 m-80 63.3 27.46 15.43 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.374 0.67 . . . . 70.44 110.58 -178.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.06 6.89 61.43 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.981 -0.628 . . . . 72.14 112.88 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -107.37 151.0 26.09 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.527 -0.396 . . . . 61.13 110.073 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -107.16 138.0 44.16 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.914 0.388 . . . . 64.41 110.776 -176.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.606 ' HB3' HD22 ' A' ' 135' ' ' LEU . . . -138.31 131.46 30.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.808 -0.633 . . . . 74.0 109.405 174.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 7.3 p-90 -90.08 128.76 36.38 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.949 -0.759 . . . . 74.14 108.949 177.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.877 ' HB2' HG23 ' A' ' 127' ' ' VAL . . . -118.8 136.18 54.14 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.586 -0.734 . . . . 73.01 109.837 -176.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.78 ' HA ' HG21 ' A' ' 11' ' ' THR . 31.5 p90 -138.66 138.07 37.45 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.605 0.717 . . . . 75.12 112.044 -177.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' A' ' 34' ' ' TYR . . . -150.94 101.89 2.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.538 -1.21 . . . . 70.25 108.794 174.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -87.95 97.64 11.06 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.703 -0.48 . . . . 73.13 109.703 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 2.5 p -109.3 110.87 33.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.607 -0.724 . . . . 72.33 110.858 -178.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.545 ' HB2' ' CD1' ' A' ' 7' ' ' TYR . 16.4 ptmt -123.41 135.91 54.36 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.842 -0.799 . . . . 73.55 108.842 175.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.416 ' HA ' ' OG1' ' A' ' 5' ' ' THR . 36.8 t70 64.56 19.93 11.98 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.887 0.851 . . . . 73.21 109.992 -178.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.17 3.03 90.45 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.686 -0.688 . . . . 74.42 112.282 -177.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 27' ' ' VAL . 25.0 mmtp -105.05 125.35 50.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.881 0.372 . . . . 73.54 110.277 -177.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.429 HG21 ' HB ' ' A' ' 27' ' ' VAL . 26.1 t -90.38 107.82 18.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.878 -0.601 . . . . 64.14 109.957 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' A' ' 57' ' ' ALA . 11.7 t-160 -76.11 -30.28 58.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.171 -0.468 . . . . 74.0 110.524 -176.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.502 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 2.8 m-85 -150.0 140.8 22.73 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.047 -0.524 . . . . 73.41 109.983 177.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.404 ' HB3' HG12 ' A' ' 32' ' ' VAL . 9.1 pt-20 -147.52 118.79 7.81 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 123.579 0.549 . . . . 73.01 110.562 178.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 24' ' ' TYR . 4.5 t70 -176.39 173.31 2.12 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.959 -0.564 . . . . 75.32 109.54 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.541 ' HB3' ' HD2' ' A' ' 130' ' ' LYS . . . -156.29 133.65 10.75 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.64 -0.504 . . . . 43.02 109.64 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -133.85 162.94 30.65 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.494 -0.558 . . . . 71.32 109.494 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -83.76 178.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.624 0.249 . . . . 62.22 111.258 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.46 138.38 49.16 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.222 -0.514 . . . . 62.22 112.162 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -118.82 -178.75 3.62 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.038 0.447 . . . . 74.22 110.301 -175.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -110.69 151.14 42.65 Favored Pre-proline 0 C--N 1.318 -0.8 0 CA-C-N 115.666 -0.697 . . . . 74.5 110.529 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_exo -62.09 -28.29 79.88 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.055 2.503 . . . . 74.54 112.694 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.66 -36.32 76.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 43.04 111.585 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.451 ' O ' ' HB3' ' A' ' 49' ' ' ARG . . . -98.66 -1.26 41.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.428 -0.351 . . . . 72.41 110.976 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.502 ' HA ' ' HD3' ' A' ' 49' ' ' ARG . . . -83.16 -33.4 26.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.519 -0.31 . . . . 64.23 111.385 -177.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.8 m -61.08 -38.5 86.49 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.969 -0.559 . . . . 72.2 111.601 -178.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 72.0 mtm -139.61 92.71 2.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.006 0.431 . . . . 75.45 110.042 -177.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.502 ' HD3' ' HA ' ' A' ' 46' ' ' ALA . 36.9 ptt180 -142.95 161.14 38.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.601 -0.727 . . . . 73.34 110.794 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -68.24 -14.91 63.34 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.202 -0.454 . . . . 71.02 111.175 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.445 ' O ' HG12 ' A' ' 55' ' ' ILE . 97.4 t -52.78 -29.66 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 120.99 0.424 . . . . 62.51 110.546 174.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.57 -31.37 66.09 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.076 -0.511 . . . . 74.13 111.158 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.67 -36.2 49.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.025 -0.607 . . . . 73.11 112.062 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.33 -43.49 77.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.863 0.363 . . . . 74.34 110.874 -178.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 51' ' ' VAL . 17.4 pt -70.18 -29.85 41.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.407 -0.361 . . . . 65.54 110.965 177.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' A' ' 59' ' ' LEU . . . -62.77 -26.79 68.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.089 0.471 . . . . 37.49 110.748 175.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.413 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . . . -72.85 -25.14 61.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 73.14 110.646 177.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.31 -37.23 53.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.982 -0.554 . . . . 64.12 109.527 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 35.2 tp -53.7 -49.47 68.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.345 -0.843 . . . . 65.53 110.376 174.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -62.45 -38.09 88.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.943 -0.571 . . . . 73.43 110.83 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.75 -41.35 99.16 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.32 -0.4 . . . . 73.31 110.957 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.2 t -71.97 -44.34 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.979 -0.555 . . . . 72.4 110.435 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -60.01 -38.82 83.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.985 -0.552 . . . . 71.3 111.061 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.471 ' O ' HD12 ' A' ' 68' ' ' LEU . 86.0 tttt -67.33 -31.09 71.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.932 0.396 . . . . 74.3 110.382 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.76 -34.77 64.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.94 0.4 . . . . 73.22 110.456 175.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.434 ' HB2' HD11 ' A' ' 109' ' ' ILE . 47.1 t -56.66 -52.09 66.24 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.461 -0.79 . . . . 70.14 111.258 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -66.0 -35.12 79.71 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.254 -0.43 . . . . 65.4 111.506 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 64' ' ' LYS . 9.9 mp -69.4 -25.41 64.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.047 0.451 . . . . 73.02 110.592 175.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.56 10.74 58.89 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 121.024 -0.608 . . . . 62.23 112.616 177.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.5 m -107.83 171.23 2.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.635 0.255 . . . . 75.13 110.91 -176.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -124.65 173.7 8.35 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.114 -0.493 . . . . 73.33 109.763 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 pp -109.75 159.08 9.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 110.102 -0.333 . . . . 74.44 110.102 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -126.76 141.39 51.84 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.168 -0.308 . . . . 71.23 110.168 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.746 ' H ' HD12 ' A' ' 74' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.532 0 CA-C-N 116.229 -0.441 . . . . 75.4 111.447 -175.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 . . . . . 0 C--O 1.232 0.132 0 N-CA-C 109.414 -0.587 . . . . 71.23 109.414 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 122.96 -44.53 1.3 Allowed Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 110.838 -0.905 . . . . 52.0 110.838 -176.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.434 HD11 ' HB2' ' A' ' 66' ' ' SER . 40.9 mt -71.26 -39.02 72.28 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 N-CA-C 108.562 -0.903 . . . . 71.54 108.562 171.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -116.03 148.08 40.56 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 114.808 -1.087 . . . . 75.32 108.6 171.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.1 p -159.43 167.12 29.52 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 108.812 -0.81 . . . . 62.43 108.812 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.455 ' HA ' HG13 ' A' ' 74' ' ' ILE . 95.8 m-85 -129.96 136.32 49.32 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.147 0.498 . . . . 72.23 111.063 177.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.498 ' H ' HG13 ' A' ' 74' ' ' ILE . 43.1 mm-40 -130.78 153.4 49.09 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.027 -0.988 . . . . 73.41 108.689 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -97.75 77.39 2.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.378 0.609 . . . . 71.52 109.366 177.023 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.78 133.95 48.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.19 -0.913 . . . . 75.15 109.557 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -72.62 148.3 44.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.991 0.424 . . . . 71.41 111.303 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.04 -178.29 1.57 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.74 -0.664 . . . . 70.34 111.596 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -47.77 -64.83 0.68 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.7 -0.682 . . . . 72.1 110.178 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -149.62 14.2 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.503 -0.554 . . . . 74.32 109.503 172.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.05 115.72 1.9 Allowed Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.545 -0.752 . . . . 73.42 111.488 -174.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -81.64 163.94 22.19 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.284 -0.635 . . . . 62.12 109.284 -178.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -63.17 -28.08 69.81 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.047 0.451 . . . . 72.31 110.749 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -62.6 -35.73 80.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.905 -0.589 . . . . 72.2 110.18 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.65 -51.21 63.76 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.245 -0.434 . . . . 74.44 109.956 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.63 -33.47 72.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.794 -0.639 . . . . 72.13 111.092 -175.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -65.6 -56.46 12.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.39 -0.368 . . . . 73.11 111.017 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.877 HG23 ' HB2' ' A' ' 23' ' ' ALA . 9.6 p -69.21 -30.64 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 120.894 0.378 . . . . 71.33 110.583 -175.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 132' ' ' LYS . 11.2 t70 -62.71 -48.56 78.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 75.12 110.474 175.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 58.8 ttp -62.46 -38.78 91.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.034 -0.53 . . . . 53.05 110.428 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.541 ' HD2' ' HB3' ' A' ' 37' ' ' ALA . 10.1 tmtt? -60.78 -44.97 96.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.053 -0.521 . . . . 70.24 109.988 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.03 -51.35 68.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.026 -0.533 . . . . 71.14 111.649 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.522 ' HD3' HD12 ' A' ' 137' ' ' ILE . 11.1 ptpt -67.16 -24.53 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.549 -0.296 . . . . 73.31 111.619 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.579 ' HA ' HG21 ' A' ' 137' ' ' ILE . 64.9 m -63.17 -39.41 94.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.092 0.472 . . . . 72.15 110.245 176.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.46 -9.66 59.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 72.14 110.913 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 21' ' ' ALA . 94.8 mt -99.29 5.82 46.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.075 -0.511 . . . . 70.25 110.975 -177.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.08 25.83 33.0 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 119.963 -1.113 . . . . 64.23 113.518 174.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.579 HG21 ' HA ' ' A' ' 133' ' ' SER . 13.8 tt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 117.142 0.471 . . . . 71.55 110.577 177.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.504 ' CG ' ' HZ1' ' A' ' 28' ' ' LYS . 38.2 m-20 . . . . . 0 CA--C 1.517 -0.316 0 CA-C-O 121.427 0.632 . . . . 70.52 110.519 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -83.81 74.74 10.16 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.429 -0.805 . . . . 64.32 111.381 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.533 HG21 ' HD2' ' A' ' 7' ' ' TYR . 13.0 t -169.64 141.13 2.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.752 -0.658 . . . . 71.44 109.719 176.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -91.49 102.14 14.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.582 0.706 . . . . 74.52 110.048 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.533 ' HD2' HG21 ' A' ' 5' ' ' THR . 46.9 p90 -117.52 169.57 9.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.704 -0.68 . . . . 75.51 111.039 -175.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.442 ' O ' HG13 ' A' ' 27' ' ' VAL . 8.7 m-20 -100.66 132.54 46.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.704 -0.68 . . . . 73.32 109.696 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.3 t -96.74 111.22 26.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.275 -0.639 . . . . 71.33 109.275 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -86.34 145.27 26.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.901 0.381 . . . . 71.41 111.943 -172.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.672 ' HA ' HG12 ' A' ' 127' ' ' VAL . 8.8 t -175.06 175.13 2.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.639 -0.71 . . . . 74.54 110.274 176.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -142.11 87.08 2.01 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.412 -0.588 . . . . 74.33 109.412 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.33 61.51 4.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.931 -0.652 . . . . 62.3 112.423 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.3 m -112.6 117.06 31.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.956 0.408 . . . . 64.32 110.768 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -77.26 163.24 26.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.868 -0.605 . . . . 74.15 109.932 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -168.77 146.79 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.708 0.289 . . . . 74.42 110.906 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 64.03 27.97 14.27 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.839 0.828 . . . . 71.13 110.783 173.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.58 6.97 85.35 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.42 -0.809 . . . . 45.42 112.801 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -117.85 151.31 37.62 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.019 -0.363 . . . . 74.42 110.019 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -137.82 145.84 42.77 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.206 -0.452 . . . . 65.5 110.815 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.93 154.5 38.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.737 -0.665 . . . . 71.31 109.651 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 -113.06 130.6 56.11 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.293 0.568 . . . . 75.0 109.91 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -130.82 153.61 48.91 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.636 -0.711 . . . . 72.44 109.645 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -147.41 137.92 23.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.911 0.386 . . . . 71.05 110.729 176.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.27 107.83 13.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.48 -0.782 . . . . 63.32 109.374 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.578 ' HZ ' HD13 ' A' ' 55' ' ' ILE . 87.1 m-85 -83.75 96.99 8.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.405 0.621 . . . . 74.12 109.69 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.637 ' HB ' HG21 ' A' ' 32' ' ' VAL . 1.7 p -109.0 111.23 35.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.019 -0.992 . . . . 74.03 110.79 -178.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.504 ' HZ1' ' CG ' ' A' ' 3' ' ' ASP . 80.0 mttt -118.62 148.98 42.14 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.24 -1.022 . . . . 71.53 108.24 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.674 ' HB3' ' HE2' ' A' ' 31' ' ' LYS . 32.0 t70 67.84 7.23 5.6 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.649 0.738 . . . . 64.25 111.156 173.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.4 7.99 56.6 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.716 -0.754 . . . . 73.45 113.028 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.674 ' HE2' ' HB3' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -142.21 150.0 40.41 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 117.101 0.451 . . . . 74.41 111.586 176.35 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.637 HG21 ' HB ' ' A' ' 27' ' ' VAL . 40.0 t -82.4 120.98 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.0 -0.545 . . . . 63.21 110.557 -174.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -85.65 -31.46 22.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.884 -0.598 . . . . 73.43 110.351 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -161.17 140.09 10.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.993 -0.549 . . . . 74.41 109.838 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.22 138.35 22.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.295 -0.412 . . . . 72.43 110.273 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.436 ' HB3' HG23 ' A' ' 51' ' ' VAL . 5.0 t70 -167.42 171.76 10.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.464 -0.334 . . . . 74.54 110.273 177.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.59 139.52 36.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.221 -0.445 . . . . 64.23 110.514 -176.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -136.85 173.38 11.76 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.376 -0.601 . . . . 74.11 109.376 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.3 m -106.75 163.35 5.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 O-C-N 122.277 -0.265 . . . . 61.33 111.161 -175.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.28 122.6 29.69 Favored Glycine 0 C--N 1.334 0.429 0 N-CA-C 110.587 -1.005 . . . . 74.45 110.587 173.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -139.24 -168.44 2.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.763 0.792 . . . . 73.33 112.393 -165.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -113.59 153.6 45.78 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 114.818 -1.083 . . . . 71.13 110.294 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.07 -19.0 64.82 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.868 2.379 . . . . 72.45 112.435 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.42 -13.86 62.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.945 0.402 . . . . 60.11 111.081 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.5 5.61 34.52 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.215 -0.448 . . . . 51.32 111.003 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' A' ' 49' ' ' ARG . . . -65.09 -16.54 63.59 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.126 -0.488 . . . . 71.44 110.91 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.6 p -62.86 -39.41 94.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.225 0.536 . . . . 64.43 110.881 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.432 ' O ' ' HB2' ' A' ' 49' ' ' ARG . 69.7 mtm -92.15 -45.36 8.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.852 -0.613 . . . . 64.12 110.963 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 96.3 mtt180 71.16 -63.81 0.41 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.649 0.611 . . . . 73.15 112.649 178.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.4 t30 60.62 -88.51 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.598 0.759 . . . . 73.25 110.841 -172.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.436 HG23 ' HB3' ' A' ' 36' ' ' ASP . 21.3 t -76.92 -31.08 18.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.12 0.486 . . . . 42.03 110.882 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.457 ' HA ' ' HB ' ' A' ' 55' ' ' ILE . . . -62.0 -17.34 56.84 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.598 -0.728 . . . . 60.55 112.815 -171.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.73 -53.2 32.61 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.505 -0.855 . . . . 62.02 111.754 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -71.3 -29.1 64.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.719 0.295 . . . . 52.25 110.497 177.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.578 HD13 ' HZ ' ' A' ' 26' ' ' PHE . 34.7 mm -60.68 -41.22 87.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 116.199 -0.455 . . . . 65.23 110.541 176.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.34 91.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.036 0.446 . . . . 54.35 110.713 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.16 -31.59 70.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.028 -0.533 . . . . 75.14 110.689 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -68.69 -33.06 73.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.048 -0.524 . . . . 74.44 110.812 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.4 tp -63.2 -40.12 96.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.033 0.444 . . . . 75.31 110.435 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.932 ' HA ' ' HG2' ' A' ' 63' ' ' LYS . 41.0 m-85 -71.16 -26.14 62.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.076 -0.511 . . . . 74.14 110.848 176.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.14 -41.95 80.87 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.663 -0.495 . . . . 71.14 109.663 173.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 58' ' ' ALA . 93.3 t -61.86 -50.38 80.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.704 -0.68 . . . . 74.21 110.807 176.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.932 ' HG2' ' HA ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -65.03 -28.45 69.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 72.32 110.74 -179.184 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -74.44 -46.08 42.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.441 -0.345 . . . . 62.23 110.172 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.78 78.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.788 -0.642 . . . . 73.22 111.225 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.7 t -60.05 -40.54 89.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.339 -0.391 . . . . 52.24 110.358 178.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -73.88 -34.3 64.39 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.953 0.406 . . . . 60.41 110.741 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.5 tp -76.45 -25.07 53.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.147 -0.479 . . . . 75.01 111.156 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.84 14.87 54.36 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.88 -0.676 . . . . 74.34 112.017 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.4 m -112.43 170.16 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.675 0.274 . . . . 73.11 110.506 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -146.86 165.58 29.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.42 -0.355 . . . . 74.1 110.292 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 110' ' ' TYR . 2.5 pp -129.01 172.58 15.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.442 -0.577 . . . . 74.31 109.442 176.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 8' ' ' ASP . 72.5 mtt180 -123.86 132.11 53.7 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.892 -0.323 . . . . 72.31 110.146 -177.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.498 HG22 ' HB3' ' A' ' 112' ' ' PHE . 11.9 tt . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 121.632 0.73 . . . . 74.3 109.419 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 . . . . . 0 N--CA 1.448 -0.529 0 N-CA-C 108.934 -0.765 . . . . 61.24 108.934 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 158.47 -30.18 0.46 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 110.758 -0.937 . . . . 72.12 110.758 -173.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.406 ' N ' HD12 ' A' ' 109' ' ' ILE . 3.6 mp -73.19 -27.02 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 108.539 -0.911 . . . . 64.43 108.539 170.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.421 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 29.1 p90 -149.3 146.14 27.4 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.363 -0.835 . . . . 74.21 109.667 174.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.5 t -142.44 162.41 35.55 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.818 -0.808 . . . . 73.14 108.818 174.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.498 ' HB3' HG22 ' A' ' 74' ' ' ILE . 41.5 p90 -113.06 138.41 49.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.949 0.404 . . . . 74.21 110.628 -178.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.8 150.92 51.44 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.873 -0.603 . . . . 74.43 109.554 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -81.12 113.44 19.29 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 121.562 0.696 . . . . 74.13 111.482 -174.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.6 p -100.08 153.76 4.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.179 -0.918 . . . . 71.12 109.682 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.584 ' H ' ' HD2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -100.18 155.4 17.77 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.451 -0.574 . . . . 74.03 109.451 175.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -132.36 110.94 10.92 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.735 0.302 . . . . 73.13 110.756 -178.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -64.66 -39.32 93.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.122 -0.49 . . . . 72.01 109.757 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 p -146.57 -31.29 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.78 -0.646 . . . . 62.25 110.794 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 106.49 127.92 5.93 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.378 -0.689 . . . . 65.4 111.378 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -75.68 161.53 29.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.856 0.36 . . . . 73.15 111.105 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -58.45 -32.22 68.52 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.947 -0.57 . . . . 74.53 110.706 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -65.84 -33.48 75.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.637 -0.71 . . . . 74.32 110.734 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -74.12 -40.53 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.798 -0.445 . . . . 52.51 109.798 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.57 -34.38 75.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 71.1 111.367 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.26 -51.33 69.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 74.45 110.604 -178.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.672 HG12 ' HA ' ' A' ' 11' ' ' THR . 9.2 p -75.75 -31.08 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 71.14 110.427 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -55.49 -52.98 61.84 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.674 -0.693 . . . . 74.1 110.331 175.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.415 ' HE2' ' HB3' ' A' ' 129' ' ' MET . 41.1 ttp -59.61 -44.82 93.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.345 -0.843 . . . . 64.31 111.096 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -53.71 -53.04 57.72 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.397 0.518 . . . . 73.24 112.397 -174.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.2 -46.24 61.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.11 0.481 . . . . 71.15 111.771 -175.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -76.1 -27.41 57.12 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 112.507 0.558 . . . . 75.42 112.507 -171.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.1 p -73.65 -31.11 63.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.135 0.493 . . . . 62.11 109.991 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.44 -15.03 61.35 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.749 -0.659 . . . . 74.2 110.921 178.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.1 mt -95.1 -3.61 47.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 71.42 110.121 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 83.43 24.77 49.83 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.512 -0.852 . . . . 54.43 112.668 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 74.7 mt . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 120.878 0.37 . . . . 53.34 110.911 -179.332 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 . . . . . 0 CA--C 1.52 -0.203 0 CA-C-O 121.444 0.64 . . . . 73.5 109.443 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -81.85 -14.52 56.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.036 -0.983 . . . . 72.14 111.179 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 p -109.7 96.75 6.47 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.733 -0.667 . . . . 74.41 111.68 -177.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 62.43 107.82 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.251 -0.886 . . . . 75.3 112.471 176.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.499 ' HE1' ' HE2' ' A' ' 28' ' ' LYS . 50.7 m-85 -75.52 130.95 39.69 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.624 -0.509 . . . . 73.21 109.624 173.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -104.3 149.78 25.03 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.015 -0.539 . . . . 75.43 110.651 -172.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.625 ' HB ' HD11 ' A' ' 74' ' ' ILE . 59.7 t -126.8 111.87 27.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.368 -0.378 . . . . 74.4 110.027 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.423 ' C ' ' HG1' ' A' ' 11' ' ' THR . 1.4 m-30 -106.91 110.45 22.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.97 0.414 . . . . 73.14 110.117 177.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.57 HG22 HG13 ' A' ' 127' ' ' VAL . 44.7 m -168.15 127.61 1.25 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.419 -0.81 . . . . 74.52 109.155 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -95.15 -78.71 0.44 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.529 -0.915 . . . . 65.24 108.529 170.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.62 130.82 0.23 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.844 -0.694 . . . . 72.34 113.037 173.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.5 m -144.84 112.66 6.31 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 122.043 -0.681 . . . . 75.21 111.8 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 30.3 p90 -75.3 140.02 42.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.351 -0.981 . . . . 63.11 108.351 170.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p -154.66 155.55 5.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.83 -0.348 . . . . 75.31 110.786 -171.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.3 m120 64.05 28.3 14.27 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.795 -0.639 . . . . 74.42 110.838 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.12 -16.66 36.95 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.718 -0.674 . . . . 63.43 112.497 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.737 ' HB3' HD22 ' A' ' 135' ' ' LEU . 17.6 mm-40 -80.48 126.44 31.21 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.039 -0.356 . . . . 75.32 110.039 -179.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -120.96 153.44 37.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.399 -0.364 . . . . 73.42 110.169 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.25 166.86 32.24 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.24 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.528 ' O ' ' HA ' ' A' ' 37' ' ' ALA . 61.4 p-90 -111.17 130.37 55.66 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.435 -0.58 . . . . 74.45 109.435 173.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.615 ' HB3' HG21 ' A' ' 127' ' ' VAL . . . -132.76 136.43 46.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.824 -0.626 . . . . 50.4 110.286 -176.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -142.21 138.63 31.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.294 -0.412 . . . . 75.22 110.746 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.32 105.25 7.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.781 -0.645 . . . . 73.4 109.499 172.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -87.68 110.96 20.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.154 -0.476 . . . . 74.33 110.545 -175.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.498 ' HB ' HG23 ' A' ' 32' ' ' VAL . 4.3 p -116.78 123.56 71.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.622 0.725 . . . . 74.22 111.162 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.499 ' HE2' ' HE1' ' A' ' 7' ' ' TYR . 15.5 ptpt -127.93 132.72 49.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.772 -0.649 . . . . 72.41 109.502 176.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.3 t70 65.66 11.85 7.82 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.458 0.647 . . . . 71.42 110.287 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.49 2.25 63.64 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.875 -0.602 . . . . 74.01 112.124 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.11 141.23 47.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.03 0.443 . . . . 73.31 110.28 -178.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.498 HG23 ' HB ' ' A' ' 27' ' ' VAL . 76.8 t -108.15 120.96 60.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.961 -0.563 . . . . 73.01 110.028 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -110.01 -18.47 13.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.318 -0.401 . . . . 75.11 110.874 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -137.69 138.7 39.65 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.034 -0.358 . . . . 72.11 110.034 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.14 148.28 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.342 0.401 . . . . 64.12 110.445 177.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -175.81 171.53 2.65 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 109.861 -0.422 . . . . 71.41 109.861 173.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' A' ' 22' ' ' TRP . . . -157.16 109.56 2.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.583 -0.735 . . . . 64.42 109.299 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -132.14 173.51 11.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.738 0.304 . . . . 72.34 110.385 -174.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.7 m -103.31 130.48 53.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.084 0.468 . . . . 71.25 110.833 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.51 111.78 0.36 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.739 -0.743 . . . . 63.25 112.562 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -108.66 101.66 10.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.094 0.473 . . . . 63.31 109.958 178.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -147.53 144.42 19.37 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.67 -0.695 . . . . 74.11 109.679 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -49.62 -54.13 5.95 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.271 2.647 . . . . 64.54 113.368 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.16 -27.87 67.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.94 0.4 . . . . 72.31 111.445 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.01 -32.71 63.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.074 0.464 . . . . 70.22 110.402 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.83 -16.44 61.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 43.05 111.348 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 m -72.24 -37.09 69.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.896 0.379 . . . . 64.02 111.569 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 68.5 mtm -76.01 -47.23 25.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.989 0.423 . . . . 75.22 110.982 -176.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -73.75 136.69 43.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.189 -0.46 . . . . 72.02 110.21 175.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -80.19 19.51 0.74 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.983 0.421 . . . . 74.2 111.773 -174.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.8 t -68.63 -27.99 38.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.425 0.631 . . . . 70.33 109.387 171.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.491 ' HA ' HG12 ' A' ' 55' ' ' ILE . . . -53.3 -29.88 35.83 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 114.92 -1.036 . . . . 73.02 112.29 -177.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.47 -47.31 85.52 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.54 -0.838 . . . . 73.44 112.146 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.59 -46.14 73.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.702 0.287 . . . . 75.12 111.322 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.491 HG12 ' HA ' ' A' ' 52' ' ' ALA . 40.0 pt -66.81 -32.56 58.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 121.028 -0.269 . . . . 52.41 111.497 -177.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.87 93.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.881 0.372 . . . . 52.0 110.719 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.8 -33.74 68.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.644 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.5 -27.46 61.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 74.11 110.569 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.7 tp -65.46 -31.47 72.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.778 -0.646 . . . . 63.45 110.718 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -66.45 -26.82 67.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 74.24 110.58 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.82 -36.59 82.71 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.822 -0.436 . . . . 72.14 109.822 175.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.434 HG12 HG12 ' A' ' 109' ' ' ILE . 93.0 t -65.33 -37.77 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.594 -0.73 . . . . 74.25 109.949 175.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.442 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 11.9 tmtt? -66.31 -36.79 83.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.361 -0.836 . . . . 75.4 110.095 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -75.9 -47.99 23.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.546 -0.297 . . . . 73.31 111.605 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.426 ' HB1' HG13 ' A' ' 109' ' ' ILE . . . -58.27 -32.47 68.42 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.282 0.475 . . . . 75.32 112.282 -173.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 p -65.43 -27.98 68.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.69 0.281 . . . . 64.32 111.208 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -83.12 -33.36 26.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.437 -0.347 . . . . 62.03 110.875 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.04 -24.91 55.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.536 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.84 1.72 61.53 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.89 -0.671 . . . . 72.0 112.37 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.1 m -97.08 145.28 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.058 0.456 . . . . 72.03 111.067 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.746 ' HA ' HG21 ' A' ' 109' ' ' ILE . 9.1 mptt -132.09 -177.09 4.29 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.96 -0.756 . . . . 64.03 108.96 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.753 HG12 ' HA ' ' A' ' 110' ' ' TYR . 1.7 pp -108.58 152.36 10.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.207 -1.034 . . . . 65.12 108.207 171.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -135.1 101.52 4.9 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.302 0.572 . . . . 63.1 111.85 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.625 HD11 ' HB ' ' A' ' 9' ' ' VAL . 47.5 mm . . . . . 0 C--N 1.324 -0.512 0 N-CA-C 108.669 -0.863 . . . . 71.15 108.669 170.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 . . . . . 0 N--CA 1.448 -0.529 0 CA-C-O 121.312 0.577 . . . . 71.41 110.055 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.31 100.1 0.77 Allowed Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.186 -1.166 . . . . 54.52 110.186 -172.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.746 HG21 ' HA ' ' A' ' 71' ' ' LYS . 46.2 mm -60.6 -31.52 49.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 112.45 0.537 . . . . 74.3 112.45 -171.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.753 ' HA ' HG12 ' A' ' 72' ' ' ILE . 5.3 p90 -116.27 147.89 41.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.163 0.506 . . . . 73.53 111.363 -176.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.4 t -157.27 169.07 25.58 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.147 -1.057 . . . . 70.52 108.147 175.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -156.01 137.1 13.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.019 0.438 . . . . 74.03 110.721 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -123.67 134.55 53.72 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.495 -0.775 . . . . 73.31 109.476 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.7 mppt? -85.23 106.78 16.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.172 0.51 . . . . 74.14 111.165 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 34.9 m -122.84 165.94 18.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.157 -0.929 . . . . 65.44 109.062 176.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -43.53 137.3 2.92 Favored 'General case' 0 C--O 1.238 0.481 0 O-C-N 123.463 0.477 . . . . 72.31 111.109 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.45 142.45 5.76 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.585 -0.734 . . . . 64.21 112.517 -171.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -90.83 -54.71 3.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.346 -0.843 . . . . 75.44 110.604 -176.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.9 m -149.07 -31.75 0.23 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.639 0.607 . . . . 75.23 112.639 -175.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 78.74 62.1 2.31 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.228 -0.986 . . . . 73.14 111.625 -175.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -79.8 161.82 25.46 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.703 -0.48 . . . . 74.14 109.703 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -60.71 -31.31 70.61 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.223 0.453 . . . . 71.2 112.223 -176.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -74.9 -32.4 61.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.529 0.68 . . . . 74.23 109.723 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -71.84 -47.24 54.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.932 -1.031 . . . . 72.31 110.566 -176.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -62.38 -33.77 75.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 72.12 110.789 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -61.35 -44.54 97.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 75.5 111.133 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.615 HG21 ' HB3' ' A' ' 23' ' ' ALA . 14.2 p -77.3 -36.2 23.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 116.552 -0.294 . . . . 72.24 111.026 -177.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.487 ' CG ' ' HZ3' ' A' ' 132' ' ' LYS . 30.9 t70 -72.02 -33.15 67.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.966 0.412 . . . . 63.25 110.952 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 54.2 ttp -61.46 -36.36 80.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.139 0.495 . . . . 73.21 110.195 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.465 ' HD3' ' O ' ' A' ' 130' ' ' LYS . 2.2 tmtp? -69.11 -42.21 76.4 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.046 -0.724 . . . . 71.43 109.046 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.525 ' O ' ' HG ' ' A' ' 135' ' ' LEU . . . -58.77 -49.78 76.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.024 -0.535 . . . . 75.14 111.088 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.487 ' HZ3' ' CG ' ' A' ' 128' ' ' ASP . 14.2 mptt -53.72 -47.41 70.59 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.801 0.334 . . . . 73.41 111.016 177.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.0 m -62.44 -39.35 93.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.962 -0.563 . . . . 70.43 111.07 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.0 -18.97 61.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.364 -0.38 . . . . 54.21 111.183 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.737 HD22 ' HB3' ' A' ' 19' ' ' GLN . 98.1 mt -91.93 -7.58 48.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.361 -0.381 . . . . 70.14 110.448 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.74 23.64 41.63 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.556 -0.83 . . . . 61.54 112.093 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 58.8 mt . . . . . 0 C--N 1.324 -0.537 0 N-CA-C 109.596 -0.52 . . . . 74.35 109.596 179.083 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 121.163 0.506 . . . . 64.12 109.674 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -84.55 -2.23 57.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.543 -0.753 . . . . 75.22 112.753 -170.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 p -115.68 95.84 5.33 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.112 0.782 . . . . 63.02 113.112 -175.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 71' ' ' LYS . 18.9 tt0 65.24 125.79 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 114.977 -1.011 . . . . 74.02 112.661 170.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.475 ' HB2' HG22 ' A' ' 72' ' ' ILE . 91.1 m-85 -109.78 128.38 55.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.141 -0.481 . . . . 74.14 111.703 -176.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -103.87 108.68 20.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.756 -0.831 . . . . 75.02 108.756 171.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.469 ' O ' ' HD3' ' A' ' 73' ' ' ARG . 21.9 t -96.15 136.74 26.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.098 -0.501 . . . . 71.44 110.998 -168.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -93.64 172.57 8.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.822 0.344 . . . . 73.33 111.595 -177.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.3 m 67.71 103.71 0.05 OUTLIER 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.092 -0.958 . . . . 75.12 111.638 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.9 -17.34 63.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.247 0.546 . . . . 74.32 110.566 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.24 36.49 34.73 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 110.732 -0.947 . . . . 65.42 110.732 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.5 p -98.41 151.82 20.15 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.992 -0.604 . . . . 70.41 111.351 -176.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.454 ' HB3' ' HD1' ' A' ' 20' ' ' TYR . 43.6 p90 -64.25 141.07 58.9 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.448 -0.575 . . . . 75.22 109.448 174.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -120.56 120.77 63.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.259 0.552 . . . . 64.43 111.08 -175.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.2 m120 60.76 27.63 17.39 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.59 -0.732 . . . . 45.43 111.935 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.06 -14.17 61.53 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.469 -0.872 . . . . 73.43 113.379 175.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -106.13 127.05 52.93 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.395 -0.473 . . . . 73.25 110.14 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.454 ' HD1' ' HB3' ' A' ' 15' ' ' TYR . 92.2 t80 -98.31 135.29 40.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.993 -0.549 . . . . 73.22 111.458 -176.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.11 153.53 35.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.046 -0.979 . . . . 75.45 108.436 174.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -95.45 130.71 42.17 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.446 -0.502 . . . . 74.12 109.746 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.679 ' HB1' HG12 ' A' ' 127' ' ' VAL . . . -142.66 149.82 39.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.775 -0.648 . . . . 73.51 110.966 -172.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -145.62 142.74 29.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.375 -0.375 . . . . 71.54 110.399 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.86 ' HB2' HG23 ' A' ' 127' ' ' VAL . . . -135.74 102.95 5.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.39 -0.368 . . . . 71.4 110.784 176.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -91.55 116.61 29.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.703 0.763 . . . . 75.33 110.689 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.603 ' HA ' ' HA ' ' A' ' 32' ' ' VAL . 1.8 p -118.09 142.87 30.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 114.891 -1.05 . . . . 75.43 111.057 -174.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.567 ' HZ3' ' HB3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -137.95 135.86 36.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.955 -0.566 . . . . 72.31 109.879 177.556 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.5 t70 61.88 15.92 7.56 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.7 0.762 . . . . 71.14 111.198 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.94 -9.94 63.91 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.746 -0.74 . . . . 64.13 112.498 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -109.85 131.47 55.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.96 0.409 . . . . 72.55 110.496 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.603 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 7.1 p -78.81 132.65 31.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.982 -0.554 . . . . 65.43 109.593 177.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.461 ' HB3' ' OE1' ' A' ' 54' ' ' GLU . 29.1 t-80 -77.11 -59.63 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.816 -0.439 . . . . 72.33 109.816 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -142.5 143.39 32.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.027 -0.533 . . . . 75.34 110.561 174.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.749 ' HB2' HG22 ' A' ' 127' ' ' VAL . 0.0 OUTLIER -137.92 129.76 28.49 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.568 -0.742 . . . . 74.1 109.762 -178.626 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.74 ' HB3' HG22 ' A' ' 51' ' ' VAL . 2.0 t70 -157.83 171.26 20.6 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.131 -0.322 . . . . 71.54 110.131 -177.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -155.87 150.51 26.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.663 0.268 . . . . 72.42 110.985 -175.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -148.31 176.23 10.43 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.777 -0.453 . . . . 73.04 109.777 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.8 t -117.94 146.34 22.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.143 0.497 . . . . 62.31 111.133 -174.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.27 115.43 0.37 Allowed Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.647 -0.706 . . . . 72.04 113.244 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -87.51 94.06 9.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.957 0.408 . . . . 65.45 110.631 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -125.59 151.29 70.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.978 -0.555 . . . . 73.41 109.924 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.36 -34.93 97.66 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.539 2.16 . . . . 64.4 111.89 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.54 -9.52 58.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.92 -0.582 . . . . 71.44 110.954 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.29 6.56 46.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.823 -0.626 . . . . 63.14 111.0 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.32 -45.5 45.47 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.086 0.469 . . . . 73.32 111.398 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.672 ' HA ' ' HB1' ' A' ' 52' ' ' ALA . 29.4 m -95.43 -60.99 1.54 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.467 -0.568 . . . . 71.32 109.467 172.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.938 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 2.0 tpt 66.86 -58.84 0.39 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.412 1.085 . . . . 72.55 112.104 173.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -126.51 -71.42 0.69 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.538 -0.301 . . . . 73.55 110.387 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -158.13 -9.13 0.08 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.779 0.323 . . . . 74.42 111.808 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.74 HG22 ' HB3' ' A' ' 36' ' ' ASP . 16.1 t -57.24 -29.55 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 N-CA-C 112.807 0.669 . . . . 65.34 112.807 -172.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.672 ' HB1' ' HA ' ' A' ' 47' ' ' THR . . . -64.92 -16.26 63.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.118 0.785 . . . . 63.11 113.118 -174.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.19 -53.28 46.98 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.754 -0.736 . . . . 61.12 112.432 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.461 ' OE1' ' HB3' ' A' ' 33' ' ' HIS . 31.6 mm-40 -64.97 -31.76 73.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.779 0.323 . . . . 62.41 110.777 178.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.4 mm -58.46 -45.66 89.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 73.22 110.325 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.436 ' O ' ' HD1' ' A' ' 60' ' ' TYR . . . -66.44 -37.55 85.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.989 -0.55 . . . . 53.12 110.874 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.8 88.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 73.35 110.91 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -70.46 -39.46 74.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.981 -0.554 . . . . 75.03 111.311 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.0 tp -54.45 -56.63 16.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.418 . . . . 73.03 111.795 -177.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.436 ' HD1' ' O ' ' A' ' 56' ' ' ALA . 91.8 m-85 -67.13 -29.28 68.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.615 -0.266 . . . . 73.1 111.05 -177.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.24 76.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.373 -0.376 . . . . 72.43 110.404 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 58' ' ' ALA . 92.9 t -61.56 -38.2 79.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.396 -0.365 . . . . 73.52 110.723 178.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -57.36 -43.24 83.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 64.11 111.331 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -77.01 -34.21 57.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.738 0.304 . . . . 70.41 111.452 176.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.29 -27.23 54.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.791 -0.64 . . . . 72.03 112.216 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.9 p -50.32 -44.09 54.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.394 -0.366 . . . . 62.44 111.823 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -73.7 -32.64 64.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.37 -0.377 . . . . 55.51 111.585 -177.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 mp -78.87 -25.86 43.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.978 0.418 . . . . 74.32 110.74 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.82 44.46 56.19 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.788 -0.72 . . . . 73.12 112.485 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.9 m -101.33 163.72 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 110.317 -0.253 . . . . 74.21 110.317 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.445 ' HE3' ' HB3' ' A' ' 71' ' ' LYS . 0.6 OUTLIER -116.81 133.89 55.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.749 0.309 . . . . 74.44 110.729 -176.484 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.475 HG22 ' HB2' ' A' ' 7' ' ' TYR . 1.4 pp -119.58 151.32 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.799 -0.445 . . . . 63.32 109.799 173.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.469 ' HD3' ' O ' ' A' ' 9' ' ' VAL . 61.6 ttt180 -85.13 120.51 26.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.501 -0.318 . . . . 74.5 111.289 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.465 HG21 ' C ' ' A' ' 111' ' ' SER . 10.8 tp . . . . . 0 C--N 1.325 -0.476 0 N-CA-C 107.942 -1.133 . . . . 65.22 107.942 168.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.304 -0.628 . . . . 63.24 109.304 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 160.71 -28.08 0.31 Allowed Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.079 -0.808 . . . . 63.22 111.079 -175.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.6 mt -60.96 -39.33 81.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 109.366 -0.605 . . . . 73.41 109.366 172.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -110.34 143.7 40.18 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.16 -0.681 . . . . 73.31 109.16 172.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.465 ' C ' HG21 ' A' ' 74' ' ' ILE . 63.1 m -162.24 163.48 28.19 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 107.591 -1.262 . . . . 75.14 107.591 176.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -101.08 136.05 41.55 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.552 -0.859 . . . . 71.12 109.418 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -107.17 103.77 13.24 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.218 -0.901 . . . . 73.41 108.816 -175.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.506 ' H ' ' HG2' ' A' ' 114' ' ' LYS . 9.0 pttt -77.61 78.49 4.12 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.609 0.719 . . . . 74.02 111.638 -172.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.9 m -119.43 143.13 31.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.08 -0.963 . . . . 71.1 109.073 175.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -81.11 89.13 5.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.941 0.877 . . . . 60.12 110.869 -176.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.64 99.34 8.1 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.119 -1.4 . . . . 74.24 111.149 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -142.79 41.86 1.57 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.462 -0.79 . . . . 64.55 109.323 174.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.4 m -73.18 -26.91 61.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.232 -0.895 . . . . 64.32 111.606 -176.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 96.7 18.38 30.28 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.611 -0.804 . . . . 37.65 111.241 -175.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -63.69 115.52 4.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.251 -0.475 . . . . 73.0 110.236 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.8 -29.75 70.95 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.17 0.433 . . . . 71.45 112.17 -174.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.626 ' HA ' ' HD2' ' A' ' 126' ' ' TYR . 72.5 m-85 -66.42 -38.68 88.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.211 0.529 . . . . 64.2 109.857 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -72.49 -40.2 67.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.58 -0.736 . . . . 71.31 109.808 174.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.9 -26.26 64.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.091 -0.959 . . . . 54.24 111.587 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.626 ' HD2' ' HA ' ' A' ' 123' ' ' PHE . 8.2 m-85 -49.96 -52.84 30.44 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.261 0.553 . . . . 73.41 110.703 176.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.86 HG23 ' HB2' ' A' ' 25' ' ' ALA . 2.2 t -75.23 -33.13 27.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.209 -0.905 . . . . 73.11 111.231 -171.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.68 -43.0 94.19 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.139 0.495 . . . . 75.51 109.789 175.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 59.7 ttp -70.43 -37.27 74.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.686 -0.688 . . . . 52.1 110.883 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 126' ' ' TYR . 87.4 mttt -64.82 -31.47 72.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.515 -0.311 . . . . 74.24 111.193 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.92 -38.16 84.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.995 0.426 . . . . 65.34 110.183 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -65.75 -48.18 72.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.817 -0.629 . . . . 74.21 110.619 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.4 p -64.85 -28.99 69.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.164 -0.471 . . . . 65.41 111.193 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.0 -23.29 66.54 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.337 -0.392 . . . . 74.32 111.838 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -90.25 -1.47 57.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.233 0.539 . . . . 74.12 110.171 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.9 23.15 42.81 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.737 -0.744 . . . . 73.4 113.087 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.0 mm . . . . . 0 C--N 1.327 -0.38 0 N-CA-C 109.752 -0.462 . . . . 64.14 109.752 176.441 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 121.708 0.766 . . . . 63.23 109.259 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -100.47 1.95 41.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.757 -1.11 . . . . 73.54 111.252 -173.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 6.0 p -122.94 113.4 19.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.147 -0.478 . . . . 75.3 110.502 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 5' ' ' THR . 0.5 OUTLIER 44.42 -163.96 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.03 0.932 . . . . 62.23 112.393 -176.825 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -138.6 157.41 46.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.273 -0.421 . . . . 73.25 110.191 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.461 ' HB2' HG12 ' A' ' 27' ' ' VAL . 10.4 m-20 -82.96 131.27 35.19 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.534 -0.543 . . . . 71.13 109.534 175.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.8 t -126.14 126.02 68.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.98 -0.378 . . . . 63.25 109.98 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.601 ' CE2' HG11 ' A' ' 27' ' ' VAL . 21.9 m-85 -110.68 -174.32 2.45 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.582 -0.525 . . . . 71.23 109.582 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.6 m 74.42 86.8 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.887 0.742 . . . . 75.22 110.293 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.595 ' CG ' ' HA ' ' A' ' 117' ' ' ALA . 0.6 OUTLIER -57.49 -38.49 74.66 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.506 -0.77 . . . . 74.31 109.498 177.031 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.81 112.15 0.4 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.987 -1.006 . . . . 70.15 111.065 -177.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.2 m -77.34 84.04 3.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.905 0.383 . . . . 71.31 111.988 -174.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -145.68 145.86 31.06 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.962 -0.385 . . . . 64.51 109.962 171.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p -164.77 140.7 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.98 -0.555 . . . . 72.25 109.999 -177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.5 m120 61.64 28.09 17.35 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.95 0.352 . . . . 74.31 111.95 178.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.51 -0.44 89.26 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.777 -0.725 . . . . 63.31 113.424 177.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.739 ' HG3' HD13 ' A' ' 135' ' ' LEU . 26.5 pt20 -118.06 149.67 40.6 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.395 -0.473 . . . . 74.32 109.968 178.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -139.06 159.88 41.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.131 0.491 . . . . 74.34 111.472 -174.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HB3' HD23 ' A' ' 135' ' ' LEU . . . -139.25 169.67 17.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.116 -0.947 . . . . 54.13 108.967 176.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.43 ' CE2' ' HB3' ' A' ' 38' ' ' ASP . 42.1 p-90 -104.62 130.49 52.62 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.144 -0.622 . . . . 65.55 109.344 176.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.71 160.59 36.58 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.68 -0.691 . . . . 64.41 109.442 -177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.467 ' HE2' ' HB3' ' A' ' 34' ' ' TYR . 55.4 p90 -163.64 165.3 23.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.991 0.424 . . . . 71.44 110.959 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.01 102.82 3.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.542 -0.753 . . . . 70.44 110.109 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.45 ' HB2' ' HB2' ' A' ' 34' ' ' TYR . 38.5 m-85 -84.81 113.93 21.71 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.173 0.511 . . . . 74.32 109.975 177.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.601 HG11 ' CE2' ' A' ' 10' ' ' TYR . 4.3 p -133.67 146.59 31.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.011 -0.995 . . . . 65.51 110.548 -171.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -150.58 135.04 17.19 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.716 -0.476 . . . . 70.4 109.716 174.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.1 t70 69.9 6.71 5.87 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.6 0.714 . . . . 74.43 110.295 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.41 -3.0 61.22 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.894 -0.669 . . . . 65.14 111.79 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -102.49 132.41 48.55 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.736 -0.468 . . . . 65.11 109.736 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -107.18 133.29 52.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.265 0 CA-C-N 115.422 -0.808 . . . . 74.35 110.399 -175.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -111.19 -33.11 6.55 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.794 -0.362 . . . . 61.24 111.509 -176.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.467 ' HB3' ' HE2' ' A' ' 24' ' ' TYR . 76.7 m-85 -114.91 139.07 50.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.537 -0.542 . . . . 71.33 109.537 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -165.74 120.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.31 0.381 . . . . 65.15 110.665 -173.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -171.97 167.93 6.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 36.98 110.432 173.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -155.52 126.42 7.01 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.684 -0.689 . . . . 72.31 110.277 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.43 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 23.3 t70 -146.93 171.8 14.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.329 -0.396 . . . . 71.01 110.107 -177.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.697 HG21 ' HE3' ' A' ' 41' ' ' LYS . 16.7 m -84.32 150.89 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.735 0.302 . . . . 73.21 110.952 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.79 120.91 24.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.956 -0.64 . . . . 63.22 112.655 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.697 ' HE3' HG21 ' A' ' 39' ' ' VAL . 11.4 mmpt? -102.58 -168.42 1.52 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.999 0.428 . . . . 74.15 110.344 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -66.59 155.42 88.94 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.616 -0.72 . . . . 71.23 111.333 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.94 -45.0 39.28 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 123.367 2.712 . . . . 64.51 113.12 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.41 -26.01 41.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.202 0.525 . . . . 74.35 110.482 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.582 ' O ' ' HB2' ' A' ' 49' ' ' ARG . . . -75.95 -3.83 37.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.779 -0.646 . . . . 75.12 110.834 178.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.73 -40.22 55.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.95 0.405 . . . . 62.43 110.242 176.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.9 m -85.18 -24.97 27.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.802 -0.635 . . . . 72.45 110.597 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.8 mtm -111.94 75.84 0.94 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.94 -0.573 . . . . 73.1 110.048 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.582 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 26.1 ttp180 -144.15 157.56 44.23 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.502 -0.772 . . . . 72.41 109.997 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -46.14 -44.94 16.23 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.63 0.581 . . . . 53.51 112.242 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.492 HG13 HG13 ' A' ' 55' ' ' ILE . 25.7 t -72.12 -28.02 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.777 -0.647 . . . . 74.54 111.962 -174.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.89 -29.42 41.75 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.734 0.642 . . . . 71.33 112.734 -173.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.53 -45.41 96.33 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.67 -0.776 . . . . 64.23 112.036 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -71.31 -40.01 71.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.948 0.404 . . . . 72.24 110.471 176.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.492 HG13 HG13 ' A' ' 51' ' ' VAL . 76.1 mt -59.45 -37.44 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.935 -0.575 . . . . 72.22 111.035 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.89 -39.08 71.04 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.298 -0.41 . . . . 64.34 111.252 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.52 90.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 73.51 110.817 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.79 -36.48 65.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.952 -0.567 . . . . 74.44 110.54 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.93 -37.86 88.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.804 -0.635 . . . . 74.33 110.28 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -69.35 -30.8 68.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.344 -0.389 . . . . 73.44 110.444 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.71 74.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.114 0.483 . . . . 72.13 109.976 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.42 HG11 ' CD1' ' A' ' 110' ' ' TYR . 86.5 t -62.71 -36.08 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.695 -0.684 . . . . 74.13 110.087 175.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -68.0 -36.84 80.65 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.036 -0.529 . . . . 62.43 109.969 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -62.89 -37.49 87.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.989 -0.551 . . . . 73.43 111.089 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.86 -37.27 83.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.903 0.382 . . . . 62.31 110.246 175.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.551 ' HB2' HG13 ' A' ' 109' ' ' ILE . 39.0 t -65.12 -33.11 75.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.056 -0.52 . . . . 72.0 110.49 176.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.8 -35.53 80.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.909 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.1 mp -82.2 -25.81 33.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 75.13 110.706 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.48 27.31 9.96 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.933 -0.651 . . . . 70.32 112.465 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.8 m -121.99 167.78 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 110.405 -0.22 . . . . 73.44 110.405 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.4 ' HA ' HG22 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -147.02 -175.42 4.81 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.523 -0.547 . . . . 63.03 109.523 179.743 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 22.2 pt -107.27 151.54 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.714 -0.394 . . . . 72.33 110.074 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -128.24 101.63 6.33 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.283 0.564 . . . . 74.52 111.666 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 112' ' ' PHE . 45.4 pt . . . . . 0 N--CA 1.445 -0.703 0 CA-C-N 115.388 -0.824 . . . . 72.25 108.881 171.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.718 0.294 . . . . 73.02 110.394 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.51 78.45 1.08 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.5 -0.857 . . . . 60.4 111.789 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.551 HG13 ' HB2' ' A' ' 66' ' ' SER . 48.9 mm -79.79 -29.78 13.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.217 0.532 . . . . 70.42 110.341 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.42 ' CD1' HG11 ' A' ' 62' ' ' VAL . 1.5 p90 -140.42 147.63 39.98 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.13 -0.486 . . . . 74.51 110.21 178.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.9 m -155.75 156.93 35.69 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.902 -0.777 . . . . 73.23 108.902 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.47 ' HA ' HD12 ' A' ' 74' ' ' ILE . 85.8 m-85 -122.65 138.92 54.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.959 0.409 . . . . 64.42 110.896 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.52 148.33 45.9 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.241 -1.022 . . . . 75.54 108.241 175.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.76 91.44 6.07 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 121.325 0.583 . . . . 62.44 112.372 -171.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.3 t -102.52 157.96 4.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.465 -1.309 . . . . 71.12 107.465 170.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.418 ' O ' ' HD2' ' A' ' 118' ' ' HIS . 43.5 tttm -81.37 137.49 35.71 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 119.268 -0.973 . . . . 64.51 110.485 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.595 ' HA ' ' CG ' ' A' ' 12' ' ' ASP . . . -56.32 106.38 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 72.13 112.069 -176.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . 0.418 ' HD2' ' O ' ' A' ' 116' ' ' LYS . 13.5 p80 -143.05 7.03 1.59 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.341 -0.39 . . . . 73.34 111.573 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 71.9 m -58.42 -31.54 67.82 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 111.72 0.267 . . . . 73.22 111.72 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.31 45.51 11.25 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.609 -0.805 . . . . 52.3 112.531 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . 0.475 ' HB3' ' HB2' ' A' ' 124' ' ' ASN . 26.8 t-20 -116.27 146.75 42.14 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.899 -0.408 . . . . 74.01 109.899 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -60.79 -46.94 88.56 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 123.267 0.355 . . . . 64.33 111.852 -175.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -71.38 -27.99 63.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.433 0.635 . . . . 71.12 109.93 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.475 ' HB2' ' HB3' ' A' ' 121' ' ' ASN . 66.8 t30 -70.13 -44.67 68.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.228 -0.896 . . . . 72.4 110.419 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -69.35 -27.02 64.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.042 -0.526 . . . . 75.33 110.694 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.427 ' O ' ' HG2' ' A' ' 129' ' ' MET . 36.9 t80 -67.01 -42.07 85.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.661 -0.7 . . . . 74.44 110.952 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 13.2 p -75.14 -29.03 21.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.815 -0.354 . . . . 62.42 110.43 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -68.34 -45.97 71.45 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.56 -0.291 . . . . 74.35 111.037 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 126' ' ' TYR . 22.3 ptp -61.91 -32.66 73.07 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.91 0.386 . . . . 51.3 110.175 178.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -69.1 -43.08 75.19 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.133 -0.485 . . . . 64.04 110.289 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.87 98.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 60.55 110.807 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -56.98 -50.86 71.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.11 0.481 . . . . 71.23 110.651 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.0 m -61.49 -36.91 81.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.691 -0.686 . . . . 72.44 111.145 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.49 -26.88 66.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 71.13 111.322 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.739 HD13 ' HG3' ' A' ' 19' ' ' GLN . 95.5 mt -87.07 -18.13 31.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.904 0.383 . . . . 75.15 110.544 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 106.12 23.17 7.49 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.42 -0.895 . . . . 72.02 112.748 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 43.6 mm . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 109.869 -0.419 . . . . 74.31 109.869 176.386 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.764 ' HB3' ' HB2' ' A' ' 29' ' ' ASP . 7.3 p-10 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.968 0.413 . . . . 74.2 110.668 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' ' 4' ' ' ARG . 43.7 mtp180 -108.34 3.55 23.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.183 -0.462 . . . . 73.02 111.068 -172.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.75 100.64 10.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.114 -0.494 . . . . 70.54 110.616 177.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.53 ' HA ' ' HB ' ' A' ' 70' ' ' VAL . 31.3 mt-10 60.44 -163.97 0.24 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.534 -0.757 . . . . 71.41 110.066 -174.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -118.37 163.67 16.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.658 0.742 . . . . 72.33 112.232 -177.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -126.54 112.19 15.25 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.738 -1.119 . . . . 73.55 108.736 168.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.1 t -131.1 136.59 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 122.323 -0.235 . . . . 74.44 110.416 -176.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -127.97 143.5 51.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.056 0.455 . . . . 75.51 110.968 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.1 t -147.96 21.22 1.12 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.716 -0.846 . . . . 73.03 108.716 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.467 ' OD2' ' HB1' ' A' ' 117' ' ' ALA . 12.5 t70 -65.23 105.06 1.02 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 114.899 -1.046 . . . . 74.5 110.393 -175.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.2 177.16 25.67 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.849 -0.691 . . . . 75.22 112.083 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.3 m -133.09 130.65 39.59 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.64 0.257 . . . . 72.14 110.962 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -80.46 157.84 26.08 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.263 -0.643 . . . . 73.14 109.263 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.75 117.12 51.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.144 0.497 . . . . 63.05 111.154 -177.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.4 m120 55.9 29.48 14.24 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.683 -0.69 . . . . 75.43 112.29 175.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.79 -15.94 62.31 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.518 -0.848 . . . . 61.13 112.625 178.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -77.61 126.27 30.63 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.424 -0.584 . . . . 73.54 109.424 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -134.45 147.38 50.4 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.091 0.472 . . . . 74.21 110.676 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.42 136.39 43.25 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.318 -0.993 . . . . 73.44 108.318 172.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 30.4 p-90 -82.99 130.01 35.1 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.445 -0.576 . . . . 75.22 109.445 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 37' ' ' ALA . . . -166.44 135.28 2.97 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.576 -0.738 . . . . 73.02 110.159 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -148.04 -179.63 7.06 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.717 -0.674 . . . . 72.21 109.549 174.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 35' ' ' GLU . . . -142.11 135.28 28.94 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.427 -0.351 . . . . 72.31 110.115 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.738 ' HB2' ' HB2' ' A' ' 34' ' ' TYR . 91.6 m-85 -84.18 97.29 9.3 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 108.906 -0.775 . . . . 75.24 108.906 176.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -90.32 146.57 6.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 114.759 -1.11 . . . . 73.14 108.649 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.604 ' CD ' ' HB2' ' A' ' 3' ' ' ASP . 1.4 tppm? -139.41 106.49 5.46 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.833 -0.432 . . . . 53.24 109.833 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.764 ' HB2' ' HB3' ' A' ' 3' ' ' ASP . 31.9 t70 67.1 22.98 9.74 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.123 -0.944 . . . . 71.23 110.199 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.56 -5.18 62.24 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.728 -0.749 . . . . 75.43 112.727 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -101.52 140.07 36.31 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.668 -0.493 . . . . 74.11 109.668 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.1 t -98.81 110.9 27.12 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 116.543 -0.299 . . . . 71.5 110.265 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -105.91 -24.1 12.52 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.738 -0.385 . . . . 71.45 110.851 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.738 ' HB2' ' HB2' ' A' ' 26' ' ' PHE . 44.1 m-85 -137.75 148.56 45.7 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.859 -0.422 . . . . 73.53 109.859 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.427 ' HA ' ' HA ' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -160.04 154.91 24.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.633 0.254 . . . . 73.51 110.923 178.289 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.414 ' OD2' ' HA ' ' A' ' 23' ' ' ALA . 4.6 p-10 -135.05 174.07 11.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.099 -0.501 . . . . 73.34 109.868 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . . . 179.88 119.37 0.06 Allowed 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.848 0.717 . . . . 70.44 110.656 174.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -161.74 167.88 24.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.738 0.304 . . . . 75.44 110.637 175.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.7 m -92.95 -178.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.493 -0.322 . . . . 74.14 110.478 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.0 84.67 0.48 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.72 -0.752 . . . . 65.24 112.345 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm -106.41 -168.52 1.43 Allowed 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 110.017 -0.364 . . . . 73.2 110.017 178.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -95.39 154.86 39.27 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 116.263 -0.426 . . . . 71.05 110.807 -175.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.617 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 78.2 Cg_exo -52.24 -28.56 34.56 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.491 2.794 . . . . 62.41 113.082 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.57 -41.73 81.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 71.4 110.75 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.68 -28.46 20.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.825 -0.625 . . . . 72.14 110.671 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.617 ' HB2' ' HA ' ' A' ' 43' ' ' PRO . . . -65.6 -15.46 62.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.766 -0.652 . . . . 70.45 111.266 178.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.2 m -60.59 -39.13 86.95 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.124 -0.489 . . . . 74.2 110.285 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.457 ' HB2' ' HB2' ' A' ' 52' ' ' ALA . 26.3 mmt 71.35 115.92 0.05 OUTLIER 'General case' 0 C--N 1.34 0.174 0 CA-C-O 121.559 0.695 . . . . 65.35 111.663 175.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -97.31 -0.28 46.79 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.93 -0.577 . . . . 71.34 110.941 176.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -124.72 -59.72 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.318 -0.401 . . . . 74.3 110.78 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.7 t -64.71 -29.37 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.69 -0.686 . . . . 74.42 111.552 -175.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.457 ' HB2' ' HB2' ' A' ' 48' ' ' MET . . . -63.66 -19.08 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 71.43 111.711 -176.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.93 -45.07 96.5 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.04 -0.824 . . . . 54.44 111.04 174.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.526 ' HB3' ' HD1' ' A' ' 34' ' ' TYR . 10.0 mp0 -71.23 -37.93 71.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.233 0.54 . . . . 73.02 110.132 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.1 mm -65.07 -39.91 87.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.671 -0.695 . . . . 72.43 110.919 -178.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.32 -33.32 72.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.424 -0.353 . . . . 71.52 111.348 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.21 84.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.031 0.443 . . . . 72.41 110.558 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.47 -25.09 50.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.078 -0.51 . . . . 61.2 111.078 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 tt -53.3 -58.57 6.62 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.126 -0.488 . . . . 74.53 110.869 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.511 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 29.4 m-85 -69.34 -28.28 66.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.451 -0.341 . . . . 63.42 111.61 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.411 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . . . -63.39 -48.16 79.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 71.31 110.264 177.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.401 HG13 ' CE2' ' A' ' 110' ' ' TYR . 91.7 t -71.26 -35.49 58.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.779 -0.646 . . . . 73.45 110.724 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -58.43 -49.19 78.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 63.0 110.735 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 60' ' ' TYR . 57.4 pttt -75.55 -27.54 58.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.63 -0.259 . . . . 72.14 111.195 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.447 ' HB3' HG23 ' A' ' 70' ' ' VAL . . . -53.47 -35.17 60.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.984 0.421 . . . . 65.04 111.13 177.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.1 t -62.01 -36.27 81.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.789 -0.642 . . . . 72.32 110.688 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.29 -38.79 55.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.385 -0.37 . . . . 75.13 110.511 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.29 -25.31 65.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 75.42 110.782 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.45 33.8 7.82 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 121.013 -0.613 . . . . 72.23 112.546 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.53 ' HB ' ' HA ' ' A' ' 6' ' ' GLU . 18.0 m -122.74 135.51 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.871 0.367 . . . . 70.1 110.516 178.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -152.67 176.36 11.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.073 -0.512 . . . . 72.2 110.237 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.448 HD12 HG13 ' A' ' 74' ' ' ILE . 2.1 pp -132.25 178.31 5.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.319 -0.4 . . . . 62.34 111.074 175.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -135.47 107.22 7.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.33 -0.396 . . . . 72.15 110.331 173.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.693 ' HB ' ' O ' ' A' ' 111' ' ' SER . 57.7 mt . . . . . 0 C--N 1.319 -0.758 0 N-CA-C 108.337 -0.986 . . . . 71.52 108.337 174.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.628 ' NE ' ' HA ' ' A' ' 107' ' ' ARG . 3.3 mmp_? . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.937 0.398 . . . . 73.42 111.206 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 64.6 84.19 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.168 -0.924 . . . . 70.11 113.646 172.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.564 HD13 ' H ' ' A' ' 109' ' ' ILE . 4.0 mp -66.85 -36.69 77.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 107.463 -1.31 . . . . 75.15 107.463 170.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.401 ' CE2' HG13 ' A' ' 62' ' ' VAL . 48.2 p90 -131.59 146.17 52.07 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.038 -1.437 . . . . 75.35 108.65 169.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.693 ' O ' ' HB ' ' A' ' 74' ' ' ILE . 6.8 p -137.63 142.34 41.21 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 110.13 -0.322 . . . . 62.12 110.13 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -154.88 141.5 18.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.125 0.488 . . . . 74.4 110.904 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -147.82 150.35 34.02 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.126 -1.064 . . . . 70.22 108.126 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.401 ' HD3' ' H ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -75.63 90.38 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.962 0.887 . . . . 74.21 112.153 -176.101 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.96 143.63 35.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 114.288 -1.324 . . . . 60.02 108.522 173.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -65.41 156.98 30.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.384 0.612 . . . . 75.32 112.002 -173.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.467 ' HB1' ' OD2' ' A' ' 12' ' ' ASP . . . -145.07 145.06 31.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.438 -0.801 . . . . 65.23 109.661 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -145.72 44.96 1.28 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.123 0.416 . . . . 75.42 112.123 -174.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.9 m -63.0 -33.02 74.52 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.071 -0.393 . . . . 64.23 111.168 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 64.59 56.56 16.43 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.913 -0.661 . . . . 73.4 113.294 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -112.11 179.08 4.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.43 -0.582 . . . . 71.35 109.43 176.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.19 -29.77 65.91 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.94 0.4 . . . . 74.22 111.159 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -66.47 -26.46 67.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.986 -0.552 . . . . 74.53 111.431 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.524 ' HA ' HG11 ' A' ' 127' ' ' VAL . 10.1 m120 -63.23 -33.3 75.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.328 . . . . 72.2 110.971 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.28 -40.93 96.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.003 -0.544 . . . . 73.53 109.772 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.472 ' O ' ' HB2' ' A' ' 130' ' ' LYS . 70.4 t80 -70.57 -49.79 44.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.064 -0.971 . . . . 74.11 110.987 -178.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.524 HG11 ' HA ' ' A' ' 124' ' ' ASN . 14.4 p -71.24 -34.8 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.413 -0.358 . . . . 63.44 111.769 -175.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.674 ' O ' ' HG2' ' A' ' 132' ' ' LYS . 8.8 t70 -59.48 -56.25 24.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.619 0.247 . . . . 71.1 111.244 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 26.9 ptm -66.82 -31.38 71.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.997 0.427 . . . . 74.11 110.408 -178.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 126' ' ' TYR . 4.0 tmtp? -62.37 -48.22 80.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.908 -0.587 . . . . 75.14 109.946 178.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.32 85.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 51.23 111.086 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.761 ' HB3' ' HB ' ' A' ' 137' ' ' ILE . 33.2 mmtp -61.3 -32.54 72.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.424 -0.353 . . . . 74.4 110.872 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.3 t -64.42 -34.91 79.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.416 -0.356 . . . . 72.52 110.519 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -76.75 -21.57 55.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.089 0.471 . . . . 72.13 110.818 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 95.8 mt -93.91 -2.84 52.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.961 -0.563 . . . . 73.41 110.277 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 77.17 23.96 67.36 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.627 -0.715 . . . . 72.1 112.815 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.761 ' HB ' ' HB3' ' A' ' 132' ' ' LYS . 50.7 mm . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 120.748 0.309 . . . . 75.33 110.34 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 1.041 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 2.7 p-10 . . . . . 0 N--CA 1.443 -0.796 0 N-CA-C 108.594 -0.891 . . . . 74.24 108.594 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.723 ' HA ' ' HH ' ' A' ' 7' ' ' TYR . 22.5 ptt180 -139.51 -24.69 0.85 Allowed 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.928 0.714 . . . . 73.21 112.928 -172.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.75 95.25 6.58 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 113.347 0.869 . . . . 74.41 113.347 -165.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 43.13 90.39 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.446 1.091 . . . . 73.03 112.445 169.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.723 ' HH ' ' HA ' ' A' ' 4' ' ' ARG . 22.4 m-85 -72.31 127.88 33.93 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.049 -0.523 . . . . 72.31 110.618 -172.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -110.42 100.17 9.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.027 -0.533 . . . . 64.31 109.737 -176.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.456 ' HB ' ' O ' ' A' ' 73' ' ' ARG . 76.8 t -96.8 112.14 28.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.008 -0.542 . . . . 74.23 110.193 -178.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -143.33 150.97 39.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.049 -0.523 . . . . 74.01 110.374 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 127' ' ' VAL . 37.9 m -146.91 86.2 1.64 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.406 0.622 . . . . 71.11 110.07 175.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -115.5 99.47 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.628 -0.714 . . . . 72.31 109.127 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.87 97.16 0.19 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.024 -0.83 . . . . 64.22 111.024 -176.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.502 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 10.1 p -159.67 18.24 0.16 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.829 0.347 . . . . 72.12 111.483 -175.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.798 ' HB3' ' HD1' ' A' ' 20' ' ' TYR . 22.1 p90 -145.11 131.0 19.15 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.303 0.573 . . . . 74.23 110.731 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.62 HG22 HD21 ' A' ' 17' ' ' ASN . 8.1 p -154.73 136.38 5.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.737 -0.665 . . . . 73.21 110.069 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.62 HD21 HG22 ' A' ' 16' ' ' VAL . 40.5 m-80 59.24 28.57 17.93 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.343 -0.389 . . . . 74.54 111.328 -178.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.83 -2.85 86.94 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.895 -0.669 . . . . 54.44 112.4 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.469 ' HB3' HD23 ' A' ' 135' ' ' LEU . 51.3 mt-30 -94.42 132.7 38.78 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.833 -0.432 . . . . 72.41 109.833 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.798 ' HD1' ' HB3' ' A' ' 15' ' ' TYR . 86.9 t80 -131.6 134.12 45.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.95 0.405 . . . . 73.33 111.177 -174.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 14' ' ' SER . . . -152.51 133.63 14.24 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.61 -0.885 . . . . 72.53 108.61 176.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 48.7 p-90 -82.54 144.3 30.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.51 0.672 . . . . 73.32 111.004 -173.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -146.98 168.54 21.26 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.045 -0.98 . . . . 74.44 109.21 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -145.74 136.67 24.54 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.026 0.441 . . . . 74.53 110.699 177.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.78 112.59 14.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.571 -0.741 . . . . 75.13 109.786 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.477 ' CE1' HD12 ' A' ' 55' ' ' ILE . 31.9 m-85 -94.85 97.79 10.27 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.291 0.567 . . . . 75.31 110.448 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 p -97.7 115.04 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 115.075 -0.966 . . . . 42.22 109.749 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -102.95 101.46 11.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.386 -0.825 . . . . 72.01 109.561 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 1.041 ' HB3' ' HB2' ' A' ' 3' ' ' ASP . 37.5 t0 45.61 49.22 11.12 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.366 -0.834 . . . . 73.42 111.403 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.78 -19.35 54.94 Favored Glycine 0 CA--C 1.52 0.379 0 CA-C-N 115.739 -0.664 . . . . 75.03 113.46 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -94.62 126.4 39.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.226 0.513 . . . . 74.41 110.747 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.2 t -87.46 98.26 7.25 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 N-CA-C 109.288 -0.634 . . . . 74.41 109.288 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -85.63 -30.55 23.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.266 -0.425 . . . . 73.13 110.701 -175.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -144.57 141.17 29.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.059 0.457 . . . . 72.21 111.596 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -152.57 120.52 6.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.76 -1.109 . . . . 54.21 108.165 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.554 ' HB3' HG13 ' A' ' 51' ' ' VAL . 1.9 t0 -160.73 165.79 29.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.808 0.337 . . . . 64.05 110.646 -175.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.67 155.57 40.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.104 -0.498 . . . . 65.2 110.195 -175.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -148.57 167.28 25.83 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.978 -0.379 . . . . 74.03 109.978 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 20.4 m -108.74 156.72 9.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.247 -0.433 . . . . 74.4 110.132 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.73 67.66 1.35 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.507 -0.854 . . . . 65.4 111.973 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -84.46 88.65 7.3 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.511 -0.552 . . . . 62.42 109.511 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -141.96 152.36 61.79 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.633 -0.712 . . . . 71.52 109.677 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -63.14 -24.29 72.98 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.659 2.239 . . . . 71.34 112.126 175.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.49 -26.74 68.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.381 -0.372 . . . . 63.23 111.1 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 49' ' ' ARG . . . -91.5 7.32 41.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.067 -0.515 . . . . 74.43 111.45 -177.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . . . -47.88 -43.23 28.41 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.459 0.911 . . . . 75.44 113.459 -174.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 m -93.56 -28.97 15.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.914 0.387 . . . . 74.53 110.977 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.9 ptp -95.68 66.12 2.68 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.529 0.681 . . . . 74.43 111.415 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 80.2 mtt180 -115.42 126.44 54.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.549 -0.751 . . . . 75.52 109.824 176.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -68.71 -40.57 79.92 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.88 0.372 . . . . 75.11 110.359 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.554 HG13 ' HB3' ' A' ' 36' ' ' ASP . 47.7 t -60.58 -30.56 47.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.666 -0.697 . . . . 73.14 111.275 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.17 -23.09 61.92 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.278 -0.419 . . . . 74.33 111.987 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.0 -51.91 51.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 71.52 111.625 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -71.36 -35.58 71.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.798 0.332 . . . . 72.21 111.17 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 51' ' ' VAL . 46.2 mm -63.32 -30.38 49.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 73.34 111.14 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.12 -29.06 70.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 71.1 111.581 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.65 -27.53 63.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.055 0.455 . . . . 74.12 110.965 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.65 -21.86 54.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 64.32 110.771 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.93 -30.97 71.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.863 -0.608 . . . . 71.31 111.034 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -60.29 -35.86 76.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.54 111.178 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.94 -35.95 77.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 63.11 110.219 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.94 -39.07 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.781 -0.645 . . . . 64.13 110.151 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -63.79 -38.23 90.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.773 -0.649 . . . . 73.14 110.454 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.606 ' HA ' HE21 ' A' ' 67' ' ' GLN . 88.5 mttt -75.14 -29.15 60.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.627 -0.261 . . . . 74.21 111.06 176.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.78 -35.61 76.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.861 0.362 . . . . 53.0 111.105 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.502 ' HB2' ' CD1' ' A' ' 109' ' ' ILE . 33.1 t -62.63 -37.57 86.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.212 176.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . 0.606 HE21 ' HA ' ' A' ' 64' ' ' LYS . 46.8 mt-30 -73.89 -48.3 31.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.643 -0.708 . . . . 50.12 111.161 -178.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.42 -26.06 65.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.043 -0.526 . . . . 65.32 111.314 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.8 10.55 58.78 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.646 -0.788 . . . . 63.12 112.857 177.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.9 m -86.7 150.5 3.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 110.237 -0.283 . . . . 70.23 110.237 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.478 ' HD2' ' O ' ' A' ' 108' ' ' GLY . 70.2 mmtt -116.24 144.22 44.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.378 -0.374 . . . . 70.42 110.767 -173.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.644 HG22 ' HB2' ' A' ' 7' ' ' TYR . 17.1 pt -127.7 154.05 37.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.297 -0.41 . . . . 71.0 110.887 178.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.456 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 4.4 mpt_? -97.65 135.06 40.0 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.254 -0.647 . . . . 62.24 109.254 172.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 35.1 mm . . . . . 0 C--N 1.322 -0.625 0 CA-C-O 120.896 0.379 . . . . 71.12 110.738 177.644 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 121.023 0.439 . . . . 73.1 110.459 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.478 ' O ' ' HD2' ' A' ' 71' ' ' LYS . . . -152.68 17.52 0.75 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.932 -0.651 . . . . 72.04 111.613 176.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.502 ' CD1' ' HB2' ' A' ' 66' ' ' SER . 9.3 mt -74.44 -39.63 48.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.129 0.49 . . . . 74.21 110.435 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.562 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 32.1 p90 -140.15 149.02 42.48 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.479 -0.782 . . . . 74.13 110.899 -174.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.3 m -149.7 164.75 34.37 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.531 -0.758 . . . . 74.42 109.39 177.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -134.7 142.17 46.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.932 0.396 . . . . 74.11 110.525 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -142.52 133.92 26.36 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.936 -1.135 . . . . 72.43 107.936 178.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -71.56 89.0 0.95 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.153 0.501 . . . . 73.13 110.835 -174.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 18.2 t -125.49 100.11 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.621 -0.718 . . . . 54.32 110.101 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -78.61 84.39 4.72 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.915 -0.772 . . . . 65.24 108.915 175.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -148.34 -52.01 0.18 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.301 -0.863 . . . . 54.02 109.73 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.32 12.69 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.395 0.617 . . . . 75.13 109.928 174.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.8 m -98.23 11.36 38.11 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.264 -0.88 . . . . 64.33 110.205 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -137.07 32.53 2.42 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.585 -0.734 . . . . 52.4 111.52 178.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -92.25 166.77 12.44 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.789 -0.448 . . . . 74.25 109.789 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -55.89 -34.45 65.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.896 0.379 . . . . 65.21 111.623 -177.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -66.9 -26.27 66.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.054 -0.521 . . . . 74.42 111.513 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.3 -38.05 89.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.653 0.263 . . . . 74.54 110.7 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.81 -29.98 66.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 72.44 110.345 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.464 ' HA ' ' HE2' ' A' ' 129' ' ' MET . 87.0 t80 -60.36 -50.42 73.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 51.43 110.703 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.456 HG23 HG23 ' A' ' 11' ' ' THR . 11.8 p -76.46 -31.53 20.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.955 0.407 . . . . 75.42 110.64 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 132' ' ' LYS . 34.2 t70 -57.76 -49.79 75.4 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.05 -0.523 . . . . 75.23 110.369 177.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.464 ' HE2' ' HA ' ' A' ' 126' ' ' TYR . 27.6 ptt? -71.54 -30.25 65.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.361 -0.381 . . . . 73.52 110.928 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -58.65 -53.48 57.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.41 . . . . 71.43 110.057 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.14 -31.89 68.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.239 0.543 . . . . 54.42 110.519 177.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.635 ' HG2' ' HB ' ' A' ' 137' ' ' ILE . 37.0 ttmt -57.53 -35.19 69.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.345 -0.843 . . . . 72.24 111.363 178.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.6 m -65.93 -32.53 74.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 72.43 110.809 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.46 -6.95 55.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.082 -0.508 . . . . 73.04 110.855 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.469 HD23 ' HB3' ' A' ' 19' ' ' GLN . 83.6 mt -97.14 -5.57 36.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.979 -0.555 . . . . 72.44 110.602 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 100.68 -6.76 57.38 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.733 -0.746 . . . . 53.1 112.556 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.635 ' HB ' ' HG2' ' A' ' 132' ' ' LYS . 58.4 mt . . . . . 0 C--N 1.32 -0.716 0 N-CA-C 109.433 -0.58 . . . . 53.44 109.433 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 N--CA 1.449 -0.524 0 CA-C-O 121.147 0.498 . . . . 73.31 110.073 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 4' ' ' ARG . 56.5 mtt85 -89.92 -25.86 20.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.586 -0.733 . . . . 54.01 111.324 -178.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 p -105.96 121.48 44.19 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.587 -0.733 . . . . 63.11 111.013 -177.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.629 ' O ' ' HE2' ' A' ' 28' ' ' LYS . 32.5 tt0 68.2 106.8 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 O-C-N 124.203 0.939 . . . . 72.42 110.904 -177.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -85.59 148.02 26.12 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 108.184 -1.043 . . . . 75.42 108.184 167.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.712 ' OD2' ' HB2' ' A' ' 26' ' ' PHE . 1.5 p-10 -78.81 104.52 9.49 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.492 0.663 . . . . 74.45 111.153 -174.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.641 HG22 HD13 ' A' ' 72' ' ' ILE . 55.3 t -130.24 130.81 65.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.456 -0.793 . . . . 53.41 111.033 -178.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -153.41 137.72 16.62 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.504 -0.924 . . . . 74.53 108.504 174.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.9 t -148.64 154.33 39.55 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.55 -0.46 . . . . 44.11 111.475 -174.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.502 ' HA ' ' O ' ' A' ' 115' ' ' VAL . 0.0 OUTLIER -103.6 173.47 6.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.798 -0.816 . . . . 61.32 108.798 172.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -168.82 39.19 0.21 Allowed Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.928 -0.653 . . . . 65.41 111.534 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.9 m -127.6 113.17 15.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.93 0.395 . . . . 75.54 111.293 -176.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -58.15 122.2 12.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.698 -0.683 . . . . 74.32 110.326 176.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.694 HG23 HD21 ' A' ' 17' ' ' ASN . 10.9 p -102.94 127.05 57.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.96 0.409 . . . . 73.52 110.811 -176.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.694 HD21 HG23 ' A' ' 16' ' ' VAL . 41.5 m-80 62.92 30.94 16.48 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.793 -0.64 . . . . 74.2 111.356 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.14 10.06 85.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.823 -0.704 . . . . 72.32 113.53 173.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.434 HE21 HD12 ' A' ' 135' ' ' LEU . 11.0 pt20 -127.08 155.12 43.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.995 0.398 . . . . 75.51 110.29 178.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -97.06 134.93 39.76 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.519 0.676 . . . . 73.13 111.938 -175.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.88 167.2 24.52 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 107.495 -1.298 . . . . 60.13 107.495 173.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.6 p-90 -139.77 130.05 25.31 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.144 -0.622 . . . . 72.53 110.731 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.711 ' HB3' ' HB ' ' A' ' 127' ' ' VAL . . . -124.68 135.91 53.45 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.672 -0.695 . . . . 52.25 110.113 176.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -128.23 139.46 52.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.085 0.469 . . . . 73.22 109.99 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.781 ' HB2' HG13 ' A' ' 127' ' ' VAL . . . -133.23 154.15 50.91 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.906 -0.588 . . . . 64.42 110.255 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.712 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -128.15 97.79 4.89 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.627 0.727 . . . . 73.35 110.244 175.463 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.717 ' HA ' ' HA ' ' A' ' 32' ' ' VAL . 2.7 p -109.98 125.66 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 114.884 -1.053 . . . . 71.53 110.717 -174.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.687 ' HB2' ' HB3' ' A' ' 8' ' ' ASP . 23.7 tptp -126.78 122.98 36.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.848 -0.614 . . . . 61.24 109.952 -176.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.429 ' OD1' ' HG3' ' A' ' 28' ' ' LYS . 4.2 m-20 62.47 35.59 14.63 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.624 0.601 . . . . 51.43 112.624 172.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.53 1.74 58.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.24 -0.981 . . . . 55.51 114.295 172.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.603 ' HE2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -153.25 151.64 30.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.87 0.835 . . . . 75.44 111.717 173.812 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.717 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 14.9 p -84.14 151.37 3.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.603 -0.726 . . . . 73.21 110.65 -176.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.663 ' HB2' ' HD2' ' A' ' 26' ' ' PHE . 37.6 m170 -77.44 -60.11 2.5 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.841 -0.429 . . . . 74.53 109.841 174.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.406 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 98.7 m-85 -144.76 154.04 42.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 73.32 109.652 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -124.71 120.99 33.38 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.245 -0.28 . . . . 73.13 110.245 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -152.61 159.36 43.23 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.06 -0.348 . . . . 70.4 110.06 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -176.6 156.04 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.275 -0.639 . . . . 72.13 109.275 -175.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -156.76 175.94 13.39 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.254 -0.276 . . . . 74.45 110.254 -178.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.9 m -98.55 130.19 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-O 121.229 0.538 . . . . 64.13 111.222 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.84 -165.98 53.54 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.72 -0.673 . . . . 41.31 112.344 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -138.58 109.41 6.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.804 0.335 . . . . 72.24 110.736 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.704 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 17.9 m120 -129.41 142.74 46.3 Favored Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 109.12 -0.696 . . . . 75.33 109.12 175.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.08 -50.4 11.45 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 122.86 2.373 . . . . 74.3 113.357 -173.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.69 -33.26 17.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.69 0.281 . . . . 72.05 111.077 -176.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.704 ' HB2' ' HB2' ' A' ' 42' ' ' ASN . . . -67.95 -36.14 79.59 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.203 0.446 . . . . 71.4 112.203 -176.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.02 -16.6 60.6 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.06 0.392 . . . . 62.22 112.06 -175.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 p -120.02 -62.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.851 -0.34 . . . . 72.13 111.509 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.411 ' HG2' ' HG3' ' A' ' 49' ' ' ARG . 49.2 ttm 44.16 -85.44 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 125.613 1.565 . . . . 72.12 112.576 178.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.411 ' HG3' ' HG2' ' A' ' 48' ' ' MET . 51.4 mtt180 -148.03 13.43 1.0 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.455 -1.248 . . . . 74.41 109.413 -176.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -82.36 176.51 9.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.082 -0.963 . . . . 73.44 110.318 -175.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.511 ' O ' HG12 ' A' ' 55' ' ' ILE . 45.9 t -62.81 -35.97 73.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.377 0.608 . . . . 61.24 109.467 177.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.678 ' HA ' ' HB ' ' A' ' 55' ' ' ILE . . . -58.59 -16.03 14.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.097 -0.956 . . . . 62.41 112.027 177.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.52 -53.38 39.19 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.708 -0.758 . . . . 64.31 111.844 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.4 -31.19 65.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.954 0.407 . . . . 72.44 110.412 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.678 ' HB ' ' HA ' ' A' ' 52' ' ' ALA . 37.7 mm -64.44 -29.58 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.896 -0.593 . . . . 65.22 110.966 177.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.67 -24.62 22.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.371 . . . . 74.01 111.581 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.58 -24.74 67.7 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.742 0.306 . . . . 72.42 110.83 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.548 ' O ' HG22 ' A' ' 62' ' ' VAL . . . -68.93 -26.83 65.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.48 -0.327 . . . . 75.42 110.343 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.6 tp -67.26 -39.28 86.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.328 0.585 . . . . 75.13 109.501 176.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.471 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 97.5 m-85 -73.8 -26.37 60.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.535 -0.757 . . . . 75.21 110.13 175.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.2 -34.47 78.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.304 -0.407 . . . . 74.3 110.049 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 58' ' ' ALA . 62.0 t -69.57 -37.18 73.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.117 0.484 . . . . 70.44 109.938 174.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 60' ' ' TYR . 6.0 tmtt? -56.41 -41.75 76.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.411 -0.813 . . . . 73.03 109.748 174.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -71.0 -45.87 63.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.709 -0.678 . . . . 73.42 110.791 174.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.05 -41.62 64.96 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.058 -0.519 . . . . 73.42 111.993 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.476 ' HA ' HG12 ' A' ' 109' ' ' ILE . 34.5 t -52.22 -49.71 63.4 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.053 -0.521 . . . . 61.35 110.926 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -83.63 -29.13 27.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.921 -0.581 . . . . 75.44 111.461 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.3 tp -72.74 -26.55 61.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.393 . . . . 64.32 111.027 -176.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.88 14.61 31.07 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.563 -0.827 . . . . 71.42 112.932 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.4 m -112.43 147.41 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.753 0.311 . . . . 61.24 110.749 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.557 ' HA ' HG22 ' A' ' 109' ' ' ILE . 80.4 mttt -129.69 178.37 6.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.318 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.641 HD13 HG22 ' A' ' 9' ' ' VAL . 2.7 pp -109.31 167.18 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 110.121 -0.325 . . . . 70.22 110.121 178.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.6 ttt85 -76.79 102.8 6.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.127 0.489 . . . . 74.23 109.914 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.534 ' HB ' ' HB3' ' A' ' 111' ' ' SER . 35.5 pt . . . . . 0 N--CA 1.447 -0.609 0 CA-C-N 115.588 -0.733 . . . . 74.32 111.601 -175.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.873 0.368 . . . . 71.4 110.109 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 136.25 -49.72 0.87 Allowed Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.99 -0.844 . . . . 72.33 110.99 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.557 HG22 ' HA ' ' A' ' 71' ' ' LYS . 4.1 mp -80.28 -39.58 19.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.468 -0.938 . . . . 75.1 108.468 172.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.437 ' HH ' HG21 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -115.67 147.29 41.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.871 -1.059 . . . . 74.01 109.522 175.51 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.534 ' HB3' ' HB ' ' A' ' 74' ' ' ILE . 5.7 t -161.41 140.21 9.83 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.415 -0.587 . . . . 71.32 109.415 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -126.29 171.56 10.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.118 0.485 . . . . 70.22 111.304 -174.217 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -147.41 152.06 37.5 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.12 -1.437 . . . . 63.14 107.12 172.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -79.35 81.62 5.6 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.896 0.855 . . . . 73.33 110.833 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' A' ' 12' ' ' ASP . 60.6 t -100.64 139.44 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.99 -1.005 . . . . 63.41 110.715 -176.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -142.43 124.21 15.12 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.12 -0.696 . . . . 75.5 109.12 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.43 132.61 43.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.794 0.331 . . . . 72.12 110.325 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -109.36 -37.96 5.61 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.209 -0.45 . . . . 75.33 111.108 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 17.7 m -72.98 -32.66 65.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.377 -0.374 . . . . 75.43 111.451 -174.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 135.29 90.09 0.32 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.254 -0.974 . . . . 64.44 113.351 175.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -116.74 131.17 57.02 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.364 -0.236 . . . . 62.1 110.364 173.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -63.19 -41.76 99.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.941 0.4 . . . . 74.14 110.788 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -60.43 -39.63 88.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.537 -0.756 . . . . 73.41 110.165 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -69.26 -48.05 62.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.58 -0.736 . . . . 71.25 110.841 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -67.48 -35.96 80.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.028 -0.533 . . . . 72.21 111.069 -175.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -56.11 25.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 73.43 110.766 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.781 HG13 ' HB2' ' A' ' 25' ' ' ALA . 30.6 m -68.69 -30.9 48.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.795 0.331 . . . . 61.33 110.794 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.23 -45.55 92.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.772 -0.649 . . . . 73.02 109.864 174.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 46.6 ttm -64.4 -40.44 95.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.455 -0.793 . . . . 71.24 110.777 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -65.35 -42.83 92.42 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.375 -0.375 . . . . 72.34 110.077 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . 0.415 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -63.37 -42.74 98.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.359 -0.382 . . . . 61.43 110.652 177.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.595 ' HA ' HD13 ' A' ' 135' ' ' LEU . 83.1 mttt -64.64 -35.3 80.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.219 -0.446 . . . . 73.03 111.02 177.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 48.8 m -61.24 -39.42 90.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.633 0.254 . . . . 62.45 110.447 177.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.5 -21.32 60.44 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.047 -0.524 . . . . 53.22 110.954 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.595 HD13 ' HA ' ' A' ' 132' ' ' LYS . 66.3 mt -80.28 -16.44 54.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.274 0.559 . . . . 64.2 109.607 177.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.31 15.9 54.5 Favored Glycine 0 N--CA 1.439 -1.104 0 CA-C-N 115.303 -0.862 . . . . 71.32 111.576 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.5 ' HB ' ' HB3' ' A' ' 132' ' ' LYS . 50.7 mm . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.118 0.485 . . . . 72.51 110.781 -177.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.7 t0 . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 108.563 -0.903 . . . . 63.22 108.563 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -121.54 10.93 10.52 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.029 -0.532 . . . . 62.23 110.119 -176.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.39 127.53 36.22 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.881 -0.6 . . . . 74.43 112.034 -168.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -70.97 127.36 32.33 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.651 -0.87 . . . . 74.2 108.651 170.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.569 ' CE1' ' HG2' ' A' ' 28' ' ' LYS . 42.7 m-85 -91.28 133.59 35.29 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.537 0.569 . . . . 74.35 112.537 -166.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -85.88 89.96 7.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.89 -1.05 . . . . 55.52 109.005 171.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.95 ' HB ' HG23 ' A' ' 74' ' ' ILE . 61.0 t -93.0 134.16 31.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 116.301 -0.409 . . . . 42.21 109.917 -172.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.523 ' HH ' HG12 ' A' ' 32' ' ' VAL . 55.9 p90 -111.29 141.91 44.2 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.579 0.704 . . . . 71.43 112.044 -173.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.721 HG22 ' H ' ' A' ' 12' ' ' ASP . 3.6 m -143.91 -171.42 3.54 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.76 -1.57 . . . . 71.24 106.76 172.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.721 ' H ' HG22 ' A' ' 11' ' ' THR . 24.8 t70 -81.47 153.11 27.03 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.081 -0.711 . . . . 73.12 109.081 173.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.78 -32.69 78.39 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.057 -0.592 . . . . 74.33 114.271 -173.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 p -143.48 172.52 12.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.421 0.61 . . . . 74.21 111.945 -172.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -73.84 131.81 41.9 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.006 -0.739 . . . . 73.3 109.006 175.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.609 HG21 HD21 ' A' ' 17' ' ' ASN . 9.3 p -99.24 131.0 47.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.192 0.52 . . . . 72.1 111.047 -173.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.609 HD21 HG21 ' A' ' 16' ' ' VAL . 52.2 m-80 57.99 26.97 14.13 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.467 -0.788 . . . . 74.4 111.599 -177.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.77 3.0 90.43 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.026 -0.607 . . . . 53.13 113.044 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.54 ' HB3' HD21 ' A' ' 135' ' ' LEU . 18.7 mm-40 -103.12 143.24 32.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.042 0.449 . . . . 71.22 110.872 -178.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -128.33 146.38 50.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.812 -0.631 . . . . 73.24 111.117 -177.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' A' ' 38' ' ' ASP . . . -152.69 166.14 33.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.523 -0.762 . . . . 72.0 109.238 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -98.65 130.75 45.17 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.512 -0.475 . . . . 71.33 109.842 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.35 145.43 6.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.161 -0.472 . . . . 73.32 110.905 -177.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.412 ' HB2' ' CG1' ' A' ' 9' ' ' VAL . 44.2 p90 -167.28 140.23 3.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.941 -0.572 . . . . 73.14 109.698 174.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.445 ' HB3' ' HB3' ' A' ' 35' ' ' GLU . . . -108.51 116.7 32.46 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.295 -0.411 . . . . 74.41 110.269 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -84.59 107.89 17.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.864 0.84 . . . . 72.45 111.313 -176.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 p -92.65 129.89 42.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 114.781 -1.1 . . . . 71.02 110.462 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.569 ' HG2' ' CE1' ' A' ' 7' ' ' TYR . 25.6 mtpp -134.6 127.57 31.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.9 -0.591 . . . . 70.33 110.223 -176.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.0 t70 63.98 24.88 13.74 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.752 -0.658 . . . . 74.13 111.099 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.62 -15.82 61.4 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.734 -0.746 . . . . 64.41 113.091 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -112.74 161.13 17.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.059 0.457 . . . . 73.44 110.75 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.523 HG12 ' HH ' ' A' ' 10' ' ' TYR . 46.3 t -106.67 126.51 62.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.092 -0.504 . . . . 73.04 109.939 -178.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 -83.91 -59.02 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.5 -0.318 . . . . 70.25 111.19 -177.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -139.66 145.91 39.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.644 0.259 . . . . 73.22 111.326 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.445 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -139.83 132.92 29.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.775 -0.648 . . . . 70.54 110.489 174.628 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.557 ' HB2' ' HB ' ' A' ' 51' ' ' VAL . 34.3 t0 -162.42 171.32 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.817 -0.438 . . . . 72.24 109.817 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -148.94 152.37 36.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.361 -0.381 . . . . 71.11 110.524 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.464 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 22.6 t70 -147.28 157.2 43.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.473 -0.33 . . . . 64.43 110.4 176.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.7 m -106.9 130.34 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-O 121.288 0.565 . . . . 73.12 111.674 -176.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.63 -164.03 28.88 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.89 -0.671 . . . . 70.03 112.333 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -141.13 112.52 7.45 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 122.173 0.189 . . . . 75.02 110.782 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.569 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 87.5 m-20 -130.13 142.07 44.11 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-O 120.735 0.302 . . . . 62.3 110.369 176.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 42' ' ' ASN . 6.8 Cg_exo -75.77 -55.55 0.07 OUTLIER 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 123.174 2.583 . . . . 71.43 112.943 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.21 -24.51 47.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.18 0.514 . . . . 73.13 110.986 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.569 ' HB3' ' HB2' ' A' ' 42' ' ' ASN . . . -86.79 8.93 20.69 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.813 -0.631 . . . . 75.44 111.414 -177.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.59 -27.27 2.68 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.874 0.694 . . . . 71.22 112.874 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.0 p -80.87 -59.61 2.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.96 0.41 . . . . 74.02 110.179 174.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.85 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 2.5 tpt 68.14 -68.54 0.17 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.692 1.197 . . . . 75.12 112.435 170.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -104.95 -85.59 0.48 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.356 -0.384 . . . . 75.11 111.219 -172.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -165.49 -53.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.617 0.246 . . . . 73.55 110.995 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.557 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 36.9 t -73.88 -39.8 52.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.864 0.364 . . . . 72.22 110.076 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.64 -23.61 52.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.975 -0.557 . . . . 71.33 111.083 174.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.34 -37.13 94.09 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.775 -0.726 . . . . 51.04 111.701 175.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -72.24 -36.93 69.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.186 0.517 . . . . 73.33 109.795 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.19 -38.18 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.401 -0.818 . . . . 73.45 110.969 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.31 -35.73 67.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.33 -0.395 . . . . 41.4 111.215 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.89 -39.72 42.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 73.1 110.8 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.69 -31.22 72.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.034 -0.53 . . . . 73.51 110.926 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.2 tp -63.57 -34.32 77.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.113 -0.494 . . . . 63.22 110.68 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -68.04 -31.01 70.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 73.3 109.784 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.77 -31.09 71.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 65.42 110.183 175.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.464 HG11 ' HB2' ' A' ' 110' ' ' TYR . 43.5 t -72.15 -36.36 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.964 -0.562 . . . . 54.11 109.965 176.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 1.2 tmtp? -61.83 -40.29 94.76 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.263 -0.643 . . . . 75.24 109.263 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -62.69 -31.51 72.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.579 -0.737 . . . . 75.41 111.379 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.98 -28.43 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.093 0.405 . . . . 75.04 112.093 -176.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.1 p -61.36 -34.62 75.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.864 0.364 . . . . 71.13 110.779 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -70.01 -38.29 75.91 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.916 -0.584 . . . . 64.33 110.932 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.7 mp -79.19 -25.22 42.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.11 -0.496 . . . . 73.11 110.763 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.76 25.7 31.67 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.888 -0.673 . . . . 74.31 112.065 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.1 m -112.03 143.12 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.808 0.337 . . . . 74.12 110.154 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -119.59 153.8 34.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.351 -0.386 . . . . 72.14 110.089 -177.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.764 HD13 ' HD1' ' A' ' 110' ' ' TYR . 2.7 pp -114.52 146.15 19.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.502 -0.555 . . . . 74.02 109.502 177.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -112.3 102.6 10.74 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.881 0.372 . . . . 65.03 111.469 -175.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.95 HG23 ' HB ' ' A' ' 9' ' ' VAL . 2.3 pp . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 108.763 -0.828 . . . . 71.14 108.763 171.587 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.489 ' NH2' ' HA ' ' A' ' 111' ' ' SER . 11.8 mmp_? . . . . . 0 CA--C 1.523 -0.085 0 CA-C-O 120.856 0.36 . . . . 75.41 110.608 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.87 -81.47 0.28 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.46 -0.876 . . . . 74.33 112.294 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.714 ' H ' HD12 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -78.99 -29.76 14.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 111.634 0.235 . . . . 73.44 111.634 -177.212 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.764 ' HD1' HD13 ' A' ' 72' ' ' ILE . 83.8 t80 -139.49 144.01 37.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.183 0.516 . . . . 70.24 111.001 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.489 ' HA ' ' NH2' ' A' ' 107' ' ' ARG . 33.6 m -156.36 170.89 21.24 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.43 -0.952 . . . . 74.21 108.43 177.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -126.74 136.87 53.01 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.591 -1.262 . . . . 75.22 107.591 171.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -132.3 153.93 50.2 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.493 0.923 . . . . 74.42 113.493 -171.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.726 ' HE3' ' H ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -105.36 97.41 7.25 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 113.89 -1.505 . . . . 64.22 109.121 -177.242 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 25.4 m -108.63 145.68 15.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.264 0.554 . . . . 74.04 110.912 -175.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -102.73 84.75 2.45 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.759 -0.83 . . . . 74.1 108.759 175.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -131.49 153.15 50.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.957 -0.565 . . . . 64.51 111.321 -174.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -119.15 15.62 13.2 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.76 0.79 . . . . 74.32 108.932 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.9 t -86.81 35.19 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.193 -0.912 . . . . 74.4 110.664 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -58.87 106.54 0.91 Allowed Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.652 -0.579 . . . . 72.4 111.652 177.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -72.81 163.43 28.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.723 -0.238 . . . . 72.24 110.497 -178.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.68 -25.27 67.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.618 0.247 . . . . 64.34 111.471 -177.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -70.81 -26.72 63.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 72.44 111.063 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -59.14 -27.57 65.76 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.137 -0.483 . . . . 71.21 111.461 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -54.13 -31.96 53.82 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.347 0.404 . . . . 72.42 111.355 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -69.45 -54.24 15.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.46 -0.336 . . . . 71.32 111.249 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.445 HG13 ' HA ' ' A' ' 11' ' ' THR . 12.4 p -68.34 -26.69 34.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.972 0.415 . . . . 65.31 110.233 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.41 -54.89 22.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.897 -0.592 . . . . 70.42 111.075 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -61.59 -33.1 73.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.753 0.311 . . . . 75.34 110.645 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -68.65 -50.63 49.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.323 -0.399 . . . . 64.1 110.683 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.35 -46.45 83.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.354 -0.385 . . . . 63.52 111.356 -178.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.4 ' HE3' HG22 ' A' ' 16' ' ' VAL . 46.7 mttp -60.01 -45.64 92.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.353 -0.385 . . . . 73.23 111.747 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.7 t -65.39 -34.81 79.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.616 0.246 . . . . 74.32 110.619 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.08 -24.21 64.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 60.13 111.165 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 19' ' ' GLN . 96.6 mt -92.91 3.94 54.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.067 -0.515 . . . . 71.35 110.115 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.15 12.38 82.44 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.617 -0.72 . . . . 75.24 112.645 177.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 63.9 mt . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 120.94 0.4 . . . . 72.44 110.579 -177.849 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.468 0.473 0 CA-C-O 121.248 0.547 . . . . 65.43 110.309 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -128.09 8.59 6.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.065 -0.516 . . . . 72.43 112.116 -170.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.0 t -145.19 118.86 9.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.921 0.391 . . . . 72.13 111.446 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 59.47 98.36 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.592 -0.731 . . . . 75.0 111.921 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.709 ' HB2' HG21 ' A' ' 72' ' ' ILE . 93.2 m-85 -92.15 157.52 16.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.833 -0.621 . . . . 74.51 110.844 -178.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -92.61 116.67 29.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.713 -0.676 . . . . 74.3 111.028 -177.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.5 t -125.88 111.96 28.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.176 -0.676 . . . . 73.34 109.176 173.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.504 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 90.4 m-85 -97.33 148.87 22.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.029 0.443 . . . . 75.31 110.91 -176.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.9 m -151.07 137.73 18.81 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.691 -0.686 . . . . 72.0 109.233 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -163.03 77.24 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.282 -0.636 . . . . 73.52 109.282 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.781 ' HA2' ' HA ' ' A' ' 115' ' ' VAL . . . 107.37 156.17 19.98 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.617 -0.72 . . . . 64.55 112.218 -177.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.416 ' H ' HG23 ' A' ' 115' ' ' VAL . 70.0 m -158.48 -51.13 0.06 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.178 -0.675 . . . . 71.1 109.178 177.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.775 ' HB3' ' HD1' ' A' ' 20' ' ' TYR . 39.1 p90 -110.57 164.19 12.97 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.766 -0.652 . . . . 71.32 109.357 173.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.539 HG21 HD21 ' A' ' 17' ' ' ASN . 5.8 p -142.57 111.73 2.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.172 0.51 . . . . 72.44 109.847 174.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.539 HD21 HG21 ' A' ' 16' ' ' VAL . 65.0 m-80 57.74 36.36 26.46 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.699 -0.682 . . . . 64.32 111.659 -178.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.2 -26.26 25.25 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.93 -0.577 . . . . 62.3 114.384 172.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 4.6 pt20 -82.49 126.39 32.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 118.221 1.01 . . . . 54.23 109.002 176.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.775 ' HD1' ' HB3' ' A' ' 15' ' ' TYR . 73.2 t80 -116.25 137.34 52.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.483 0.659 . . . . 73.0 112.356 -167.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.07 151.57 51.29 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.21 -1.033 . . . . 74.51 108.21 169.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.646 ' HZ2' ' HG3' ' A' ' 49' ' ' ARG . 27.4 p-90 -100.15 128.61 46.2 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.072 -0.651 . . . . 75.42 110.1 179.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.516 ' HB1' ' HB2' ' A' ' 37' ' ' ALA . . . -154.69 135.45 13.61 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.496 -0.774 . . . . 63.2 110.33 -176.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -146.32 138.05 24.8 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.336 -0.616 . . . . 73.13 109.336 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.504 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . -91.29 101.26 13.96 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.055 0.455 . . . . 63.22 110.672 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.33 100.16 12.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.675 -0.693 . . . . 65.33 109.19 174.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.4 p -127.81 128.01 68.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.612 -0.722 . . . . 73.45 111.112 -172.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 30.8 ttmt -106.99 128.31 54.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.996 -0.547 . . . . 62.24 110.157 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.8 t70 66.89 11.37 8.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.705 -0.68 . . . . 71.22 111.685 172.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.0 14.21 55.18 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.66 -0.781 . . . . 72.01 113.123 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -126.91 138.75 53.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.177 0.513 . . . . 74.0 110.58 175.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.3 t -90.85 123.96 43.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.923 -0.58 . . . . 71.05 110.58 -176.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -75.84 -40.72 54.29 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.076 0.399 . . . . 75.23 112.076 -177.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -144.82 147.13 32.51 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.75 -0.463 . . . . 73.04 109.75 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -109.06 120.9 43.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.389 -0.369 . . . . 55.34 111.125 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -174.34 173.08 3.08 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.184 0.516 . . . . 75.21 111.574 173.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.516 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . . . 175.09 103.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.968 1.307 . . . . 74.5 107.723 -174.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -112.02 168.01 9.93 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.243 -0.583 . . . . 64.1 111.972 -167.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.9 m -102.79 -176.33 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 115.675 -0.693 . . . . 64.4 110.642 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.67 51.13 21.72 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.756 -0.735 . . . . 73.03 112.191 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -66.73 95.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.113 0.483 . . . . 71.3 109.934 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -145.85 148.19 35.15 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.92 -0.77 . . . . 60.15 108.92 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.18 -49.05 13.5 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.991 2.461 . . . . 73.0 113.047 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.57 -41.51 31.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.874 0.368 . . . . 75.54 111.124 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.56 -41.61 88.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 63.43 111.821 -175.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.12 -34.88 77.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.508 -0.315 . . . . 71.14 110.892 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 m -71.29 -26.47 62.88 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.203 0.525 . . . . 74.21 110.368 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.9 mtm -88.05 29.0 0.97 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.215 0.531 . . . . 75.32 110.973 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.646 ' HG3' ' HZ2' ' A' ' 22' ' ' TRP . 2.2 mmp_? -108.52 130.82 55.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.263 -0.643 . . . . 72.21 109.263 173.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -70.05 -26.31 63.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.324 0.583 . . . . 54.42 110.382 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.2 t -72.59 -29.36 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.768 -0.651 . . . . 72.44 110.497 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.5 ' HB3' ' HB2' ' A' ' 49' ' ' ARG . . . -63.88 -15.04 58.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.575 -0.739 . . . . 73.33 112.875 -172.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.04 -49.24 50.06 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.114 -0.565 . . . . 72.44 112.533 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.49 -31.86 67.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.807 0.336 . . . . 74.43 110.527 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.5 mm -62.19 -44.54 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.047 -0.524 . . . . 74.31 110.219 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.61 93.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.85 -0.614 . . . . 63.23 110.564 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.43 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . . . -63.53 -38.93 93.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.554 178.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.418 ' O ' HG22 ' A' ' 62' ' ' VAL . . . -64.31 -34.72 78.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 53.13 110.715 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.34 -44.76 92.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 74.32 109.686 177.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.43 ' CD2' ' HA ' ' A' ' 57' ' ' ALA . 17.2 m-85 -65.48 -39.65 92.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.102 -0.499 . . . . 75.25 110.222 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.66 -46.94 87.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.84 -0.618 . . . . 75.12 111.013 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 58' ' ' ALA . 94.8 t -64.78 -36.55 77.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.075 0.464 . . . . 74.14 110.441 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -65.3 -38.32 89.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.902 -0.59 . . . . 75.54 110.39 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -70.86 -38.05 73.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.074 -0.512 . . . . 74.1 110.665 176.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HB3' HG21 ' A' ' 70' ' ' VAL . . . -56.86 -32.02 65.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 74.0 110.983 179.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -60.01 -34.55 73.5 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.743 -0.662 . . . . 72.24 110.788 178.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -76.72 -38.83 53.61 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.888 0.375 . . . . 71.34 110.813 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.7 -13.77 61.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 71.13 110.936 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.19 27.4 44.77 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.835 -0.697 . . . . 65.42 112.179 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.406 HG21 ' HB3' ' A' ' 65' ' ' ALA . 30.9 m -126.01 173.01 12.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 110.079 -0.341 . . . . 54.31 110.079 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.525 ' HB2' ' HA ' ' A' ' 109' ' ' ILE . 0.0 OUTLIER -153.26 -173.18 4.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.879 0.371 . . . . 75.53 110.48 179.462 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.709 HG21 ' HB2' ' A' ' 7' ' ' TYR . 2.8 pp -108.43 162.32 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.815 -0.629 . . . . 75.11 109.388 173.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -77.83 115.59 17.7 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.234 -0.586 . . . . 73.4 110.011 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.551 HG23 ' HA ' ' A' ' 111' ' ' SER . 2.4 pp . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.819 -0.628 . . . . 72.21 111.182 -177.069 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.434 ' HD2' ' HE1' ' A' ' 112' ' ' PHE . 27.1 mmt180 . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 109.341 -0.615 . . . . 74.14 109.341 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 122.22 -21.01 7.87 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.407 -0.901 . . . . 71.45 111.851 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.525 ' HA ' ' HB2' ' A' ' 71' ' ' LYS . 51.6 mt -79.02 -29.24 13.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.346 0.594 . . . . 75.14 109.967 177.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -127.17 156.6 41.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.516 -0.765 . . . . 71.24 109.599 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.551 ' HA ' HG23 ' A' ' 74' ' ' ILE . 15.5 t -74.18 155.66 38.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.964 0.411 . . . . 72.22 110.51 -175.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.434 ' HE1' ' HD2' ' A' ' 107' ' ' ARG . 36.6 m-85 -103.07 151.78 22.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.136 -0.483 . . . . 75.41 110.407 -176.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -96.17 98.38 10.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.861 0.839 . . . . 65.4 110.756 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -131.66 143.87 50.61 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.287 -0.869 . . . . 75.21 109.207 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . 0.781 ' HA ' ' HA2' ' A' ' 13' ' ' GLY . 95.8 t -95.89 121.46 46.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.291 0.567 . . . . 62.21 111.592 -176.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -147.56 172.21 14.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.641 -1.163 . . . . 75.33 107.92 172.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -140.44 40.66 1.9 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.898 0.38 . . . . 60.21 110.602 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -143.25 4.91 1.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.386 -0.37 . . . . 61.01 110.934 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.66 2.49 18.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.622 0.725 . . . . 75.43 109.385 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . 0.581 ' HA2' ' ND2' ' A' ' 124' ' ' ASN . . . -81.29 90.67 1.42 Allowed Glycine 0 N--CA 1.439 -1.109 0 CA-C-N 114.918 -1.037 . . . . 73.3 112.614 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -64.84 173.94 2.07 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.73 -0.47 . . . . 63.21 109.73 173.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -45.33 -53.79 8.04 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.995 0.739 . . . . 72.15 112.995 -174.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -76.42 -26.84 55.94 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.336 -0.393 . . . . 74.23 111.55 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.581 ' ND2' ' HA2' ' A' ' 120' ' ' GLY . 51.2 t30 -76.33 -42.27 45.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.952 0.406 . . . . 71.35 110.719 -177.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.52 -28.26 68.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.146 0.498 . . . . 72.54 110.518 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -64.32 -32.17 73.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.901 -0.591 . . . . 65.21 110.805 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 44.2 t -65.51 -44.12 94.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.975 0.417 . . . . 74.03 109.909 177.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.22 -30.71 71.8 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.925 -0.58 . . . . 62.41 110.649 176.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 49.4 ttm -58.84 -39.79 82.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.853 -0.612 . . . . 74.21 110.493 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 11.9 tmtt? -78.73 -36.93 42.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.515 -0.311 . . . . 73.21 110.22 176.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.29 -52.08 56.53 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.662 0.616 . . . . 63.32 112.662 -174.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -66.16 -30.89 71.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.77 0.319 . . . . 74.13 111.247 -177.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 55.6 m -71.32 -29.08 64.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.887 0.375 . . . . 71.54 110.87 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.61 -20.76 65.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.201 0.524 . . . . 54.52 110.223 175.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 85.8 mt -88.37 -7.1 57.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.606 -0.724 . . . . 73.03 109.836 177.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 96.02 18.04 33.02 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.898 -0.668 . . . . 70.54 112.853 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 61.3 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 122.809 -0.23 . . . . 75.01 110.931 -178.312 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.447 -0.617 0 CA-C-O 121.675 0.75 . . . . 74.53 109.658 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -108.56 -0.72 20.16 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.073 -0.967 . . . . 71.04 110.382 -175.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.1 p -73.16 146.47 45.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.617 -0.719 . . . . 74.13 111.391 -178.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -62.91 137.49 58.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.877 -0.601 . . . . 63.12 110.111 174.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.834 ' HB2' HG22 ' A' ' 72' ' ' ILE . 57.5 m-85 -72.95 137.66 45.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.146 0.498 . . . . 73.32 111.354 -174.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -116.24 134.06 55.33 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.258 -1.015 . . . . 75.42 108.258 173.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.69 119.17 51.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.53 0.681 . . . . 72.31 111.044 -173.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.414 ' CE2' ' HB2' ' A' ' 123' ' ' PHE . 42.5 m-85 -106.39 144.46 33.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.867 -0.606 . . . . 73.24 110.979 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 t -140.74 101.85 4.17 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.73 -0.668 . . . . 61.3 109.748 177.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -91.4 136.57 33.02 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.155 0.503 . . . . 74.53 110.47 -176.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.01 31.43 1.86 Allowed Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 110.369 -1.092 . . . . 53.32 110.369 175.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.0 t -85.93 103.54 14.74 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.162 -0.519 . . . . 75.32 110.453 -175.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.646 ' HB3' ' HB3' ' A' ' 20' ' ' TYR . 19.0 p90 -60.29 133.82 56.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.882 -0.599 . . . . 75.15 110.803 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.618 HG22 HD21 ' A' ' 17' ' ' ASN . 8.5 p -125.06 132.32 71.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.855 -0.612 . . . . 64.52 110.081 -177.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.618 HD21 HG22 ' A' ' 16' ' ' VAL . 38.6 m-80 59.65 27.72 17.01 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.915 -176.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.6 -0.42 88.21 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.942 -0.647 . . . . 71.23 113.029 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -112.6 126.69 55.63 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.59 -0.359 . . . . 74.32 110.69 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.646 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 32.6 p90 -103.48 159.91 15.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.106 -0.497 . . . . 75.02 111.339 -176.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.99 169.85 22.5 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.654 -0.869 . . . . 62.43 108.654 176.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 22.1 p-90 -137.32 129.72 29.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.137 0.494 . . . . 71.01 110.272 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -144.5 151.93 39.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.768 -0.651 . . . . 74.34 111.108 -174.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -122.7 138.44 54.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.206 -0.452 . . . . 74.15 110.611 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.552 ' HB1' ' HB ' ' A' ' 127' ' ' VAL . . . -131.69 109.24 10.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.771 -0.65 . . . . 41.4 110.34 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -99.14 107.28 19.6 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.466 -0.568 . . . . 73.5 109.466 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 p -110.72 139.17 35.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.331 0.586 . . . . 51.44 111.491 -175.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.419 ' O ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -143.87 134.26 24.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.482 -0.781 . . . . 71.12 109.594 177.358 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.5 t70 63.98 8.8 4.15 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.398 0.618 . . . . 72.42 111.781 175.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.93 -6.6 64.39 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.868 -0.682 . . . . 62.02 111.745 -177.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -104.95 159.05 16.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.864 0.364 . . . . 64.43 110.307 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.7 t -85.96 118.16 32.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.257 -0.429 . . . . 75.13 110.4 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -87.0 -38.72 16.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.151 -0.477 . . . . 63.12 109.997 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -153.58 142.99 21.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.908 -0.587 . . . . 73.03 110.15 175.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -145.94 139.74 26.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.305 -0.407 . . . . 74.25 110.146 177.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -167.04 146.29 5.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.58 -0.526 . . . . 75.33 109.58 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -141.95 134.85 28.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.634 -0.257 . . . . 63.14 111.056 -176.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -138.06 174.96 10.01 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.605 -0.517 . . . . 74.5 109.605 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.8 m -128.99 168.33 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-O 120.751 0.31 . . . . 74.13 111.246 -175.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.22 122.08 0.34 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.976 -0.63 . . . . 70.23 113.044 175.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' N ' ' HE1' ' A' ' 20' ' ' TYR . 58.9 mtpt -111.57 87.73 2.62 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.434 -0.58 . . . . 71.33 109.434 176.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -126.68 153.54 75.62 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.288 -0.869 . . . . 64.01 110.122 -177.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.52 -26.82 83.65 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.527 2.151 . . . . 50.04 112.122 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.23 -25.5 63.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 72.44 111.113 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.27 3.98 19.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.344 -0.389 . . . . 74.14 111.026 -177.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.73 -35.26 33.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.373 -0.376 . . . . 61.21 110.851 178.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.2 m -90.33 -35.1 15.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.03 0.443 . . . . 71.12 111.066 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.9 ptm -118.03 80.08 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.46 0.648 . . . . 74.24 111.245 -175.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.46 ' C ' ' H ' ' A' ' 51' ' ' VAL . 14.5 ptt180 -132.42 -24.24 2.05 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.746 -0.661 . . . . 73.0 111.033 176.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 73.08 -30.68 0.21 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.56 0.744 . . . . 74.24 112.085 175.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.46 ' H ' ' C ' ' A' ' 49' ' ' ARG . 45.2 t -50.61 -27.49 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 123.816 0.847 . . . . 73.14 112.006 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.54 -30.3 12.69 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.258 0.466 . . . . 72.42 112.258 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.87 -35.47 58.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.82 -0.705 . . . . 74.1 112.179 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -71.29 -44.78 64.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.718 0.294 . . . . 73.33 110.958 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.2 pt -69.09 -31.37 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.851 0.358 . . . . 62.3 110.94 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.86 -39.38 90.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.289 -0.414 . . . . 75.55 110.299 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.41 73.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.055 -0.52 . . . . 62.2 110.604 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.527 ' O ' HG22 ' A' ' 62' ' ' VAL . . . -66.36 -36.64 83.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.969 -0.56 . . . . 63.44 110.509 176.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.25 -43.21 95.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 71.33 110.436 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -64.6 -33.9 77.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 72.54 110.403 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.67 -37.04 85.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 64.52 110.733 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 58' ' ' ALA . 91.4 t -61.54 -39.02 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-O 121.171 0.51 . . . . 72.24 110.37 176.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.97 -40.18 95.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.725 -0.67 . . . . 73.11 110.588 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -73.71 -33.6 64.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.036 -0.529 . . . . 74.43 110.653 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.62 -27.79 51.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.886 -0.597 . . . . 60.52 111.965 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.3 t -56.11 -36.66 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.412 -0.358 . . . . 72.24 110.739 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -71.16 -30.67 66.74 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.139 -0.482 . . . . 60.2 111.06 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.6 mp -89.71 -17.22 28.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.22 -0.445 . . . . 62.53 110.906 -177.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.33 47.24 23.45 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.96 -0.638 . . . . 75.52 112.004 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.8 m -129.49 168.65 22.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 110.322 -0.251 . . . . 74.31 110.322 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.508 ' HE2' ' O ' ' A' ' 108' ' ' GLY . 15.8 ptpt -131.04 173.53 10.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.488 -0.324 . . . . 64.15 110.613 -179.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.834 HG22 ' HB2' ' A' ' 7' ' ' TYR . 16.1 pt -131.47 153.75 39.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 116.439 -0.346 . . . . 75.14 110.509 173.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 73' ' ' ARG . 46.8 mtp180 -96.92 102.18 13.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 61.34 110.41 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.6 mt . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 116.693 -0.231 . . . . 73.43 110.804 -175.344 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.561 ' HA ' ' CE1' ' A' ' 110' ' ' TYR . 28.7 ttt180 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 121.055 0.455 . . . . 73.54 110.657 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . 0.508 ' O ' ' HE2' ' A' ' 71' ' ' LYS . . . 122.12 -38.44 2.59 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.76 -0.936 . . . . 64.02 110.76 -175.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.1 mt -73.19 -39.27 56.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.837 0.827 . . . . 73.42 109.175 174.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 107' ' ' ARG . 36.2 p90 -104.33 145.49 30.17 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.299 -0.864 . . . . 64.53 109.047 173.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 27.5 p -159.16 141.76 14.06 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.332 -0.618 . . . . 60.34 109.332 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -101.89 136.46 41.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.905 0.383 . . . . 75.04 110.028 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -138.06 140.49 40.06 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.136 -0.484 . . . . 73.11 109.771 -177.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.445 ' H ' ' HG2' ' A' ' 114' ' ' LYS . 17.7 pttt -84.82 128.02 34.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.87 0.367 . . . . 74.32 110.986 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.9 p -131.61 112.33 20.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.382 0.611 . . . . 71.11 110.757 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -153.1 95.63 1.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.534 -0.913 . . . . 64.05 108.534 177.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -155.45 158.79 39.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.022 -0.536 . . . . 64.01 110.738 -176.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -92.63 -17.8 23.88 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.906 -0.776 . . . . 72.22 108.906 173.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.3 m -82.45 35.55 0.45 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.151 -0.932 . . . . 62.42 111.08 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -66.2 144.84 46.82 Favored Glycine 0 N--CA 1.431 -1.636 0 N-CA-C 111.668 -0.573 . . . . 71.32 111.668 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -67.62 177.02 2.15 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.005 -0.598 . . . . 73.11 111.368 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -49.1 -47.4 45.25 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.785 -0.643 . . . . 75.13 112.264 -176.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.414 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 50.4 m-85 -64.77 -26.73 68.48 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.834 -0.621 . . . . 74.52 111.459 -174.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.426 ' C ' HD21 ' A' ' 124' ' ' ASN . 0.2 OUTLIER -71.0 -43.37 68.14 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.422 -0.585 . . . . 73.15 109.422 178.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.409 ' HA ' ' HB3' ' A' ' 128' ' ' ASP . 31.7 t70 -73.43 -29.27 62.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.357 0.598 . . . . 73.14 110.109 178.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -62.53 -48.77 78.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.507 -0.77 . . . . 74.44 110.789 177.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.552 ' HB ' ' HB1' ' A' ' 25' ' ' ALA . 8.9 p -74.67 -27.61 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 121.003 0.43 . . . . 74.33 110.243 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.409 ' HB3' ' HA ' ' A' ' 125' ' ' ASP . 2.0 t70 -60.69 -46.34 90.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.905 -0.589 . . . . 74.02 110.387 174.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -59.77 -37.33 78.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 64.11 110.476 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -61.77 -47.42 85.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 75.24 110.649 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.7 93.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.935 -0.575 . . . . 73.43 111.363 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.442 ' HE3' HG12 ' A' ' 16' ' ' VAL . 31.6 mttp -59.12 -39.64 82.92 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.487 -0.324 . . . . 61.45 111.116 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 50.8 m -61.06 -30.79 70.54 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.193 -0.458 . . . . 62.03 111.265 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.68 -17.75 57.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 61.02 111.256 178.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 98.1 mt -94.22 -17.43 22.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.272 -0.422 . . . . 72.54 110.954 -178.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 95.21 -7.3 69.24 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.714 -0.755 . . . . 73.22 111.408 -176.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 63.2 mt . . . . . 0 C--N 1.326 -0.443 0 N-CA-C 109.104 -0.702 . . . . 52.2 109.104 177.499 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 112.74 0.645 . . . . 74.35 112.74 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -121.4 12.52 10.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.519 0.676 . . . . 73.24 109.902 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.27 175.13 7.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.132 -0.94 . . . . 70.12 111.0 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.434 ' CD ' ' HD3' ' A' ' 73' ' ' ARG . 32.2 tt0 -71.8 114.07 9.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.236 -0.438 . . . . 75.54 109.964 178.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -73.21 127.79 33.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.969 -0.559 . . . . 75.04 110.845 -176.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.522 ' O ' HG13 ' A' ' 27' ' ' VAL . 14.6 p-10 -109.29 110.25 21.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.409 0.623 . . . . 71.12 110.196 177.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 52.4 t -107.99 136.08 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.923 -0.581 . . . . 63.54 110.629 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.535 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 9.2 m-85 -110.67 133.05 53.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.251 0.548 . . . . 74.2 110.639 177.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.2 m -142.1 140.32 32.47 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.941 -0.762 . . . . 74.42 108.941 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.711 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -80.35 160.36 25.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.341 0.591 . . . . 71.21 110.971 -175.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.637 ' HA3' ' HA ' ' A' ' 114' ' ' LYS . . . -157.65 30.68 0.51 Allowed Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.214 -1.154 . . . . 73.52 110.214 174.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.8 p -100.16 109.04 21.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.268 0.556 . . . . 70.24 111.877 -171.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -105.95 126.85 52.68 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.324 -0.621 . . . . 72.35 109.324 175.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.481 HG23 ' ND2' ' A' ' 17' ' ' ASN . 14.1 p -146.69 143.59 20.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 110.123 -0.325 . . . . 72.04 110.123 -177.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.481 ' ND2' HG23 ' A' ' 16' ' ' VAL . 57.8 m-80 60.69 27.2 16.94 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.938 0.495 . . . . 64.45 110.948 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.59 19.04 68.66 Favored Glycine 0 CA--C 1.52 0.372 0 CA-C-N 116.089 -0.505 . . . . 72.22 113.141 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.484 ' OE1' ' HB3' ' A' ' 135' ' ' LEU . 8.1 pt20 -131.36 147.61 52.59 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.852 -0.425 . . . . 74.13 109.852 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -141.68 138.1 32.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.014 0.435 . . . . 73.31 111.048 -175.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.3 141.99 51.76 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.312 -0.996 . . . . 74.21 108.312 172.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 49.5 p-90 -89.81 130.3 36.08 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.509 -0.477 . . . . 74.53 110.749 -175.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.711 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . . . -126.76 136.53 52.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.014 -0.539 . . . . 74.34 111.762 -179.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -125.59 138.51 53.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 75.14 109.91 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.58 ' HB1' HG11 ' A' ' 127' ' ' VAL . . . -133.81 104.07 6.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.939 0.4 . . . . 74.31 110.699 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -92.3 98.38 11.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.435 0.636 . . . . 74.45 110.025 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 8' ' ' ASP . 1.9 p -115.75 142.05 30.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 114.919 -1.037 . . . . 73.14 110.13 -176.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -127.75 118.4 23.71 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.59 -0.522 . . . . 75.5 109.59 179.214 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.4 t70 65.9 22.1 11.37 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.759 0.79 . . . . 72.44 110.373 175.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.96 8.85 64.52 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.638 -0.792 . . . . 62.04 112.607 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -112.14 121.66 45.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.954 -0.388 . . . . 64.44 109.954 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.407 HG23 ' HB ' ' A' ' 27' ' ' VAL . 38.6 t -90.7 104.15 15.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.881 -0.6 . . . . 55.1 109.665 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -30.2 50.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.203 -0.453 . . . . 75.3 110.48 -175.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.469 ' HH ' ' HB3' ' A' ' 58' ' ' ALA . 31.9 p90 -168.67 140.54 2.69 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.877 -0.601 . . . . 74.11 110.369 176.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.63 162.16 40.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.609 . . . . 73.52 109.606 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -173.98 171.89 3.54 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.881 0.372 . . . . 75.43 111.121 175.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.19 142.23 17.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.701 -0.681 . . . . 53.0 109.616 -177.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -153.72 176.3 12.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.895 0.379 . . . . 70.05 110.683 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 m -106.98 168.01 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 115.996 -0.547 . . . . 71.02 110.856 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.22 81.18 0.4 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.775 -0.726 . . . . 60.11 112.884 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -77.54 98.95 5.53 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.605 -0.517 . . . . 71.52 109.605 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -138.06 153.25 73.24 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.024 -0.535 . . . . 75.42 110.213 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.06 -46.56 32.22 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.92 2.413 . . . . 74.24 112.368 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.62 -37.6 81.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.529 -0.305 . . . . 71.44 111.359 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.0 -33.76 76.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 64.44 111.012 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.39 -16.21 46.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.121 -0.49 . . . . 72.41 111.298 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.49 HG21 ' HG3' ' A' ' 48' ' ' MET . 26.6 m -95.56 -51.46 4.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.393 -0.367 . . . . 75.12 111.47 -177.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.49 ' HG3' HG21 ' A' ' 47' ' ' THR . 60.2 mtm -144.49 89.41 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.621 0.248 . . . . 74.4 110.507 -175.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.438 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -167.47 61.37 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.046 -0.353 . . . . 74.52 110.046 -178.785 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 64.19 -78.18 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.926 -0.579 . . . . 73.11 112.283 174.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.5 t -58.73 -29.11 39.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.148 0.499 . . . . 75.21 110.589 -179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.19 -29.45 32.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.235 -0.893 . . . . 73.43 112.162 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.27 98.87 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.548 -0.834 . . . . 75.44 112.229 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -65.32 -46.12 81.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.955 0.407 . . . . 74.23 110.931 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 27.2 pt -73.16 -32.62 39.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.305 -0.407 . . . . 74.03 111.629 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.43 98.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.967 0.413 . . . . 74.1 110.353 175.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.417 ' HA ' ' HD2' ' A' ' 60' ' ' TYR . . . -65.8 -37.74 87.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.993 -0.548 . . . . 74.32 110.655 177.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.469 ' HB3' ' HH ' ' A' ' 34' ' ' TYR . . . -68.87 -32.7 72.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.976 -0.557 . . . . 64.21 110.984 178.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.0 tp -61.81 -35.94 79.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.106 -0.497 . . . . 71.32 110.497 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.526 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 33.6 m-85 -60.3 -37.07 79.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.079 -0.51 . . . . 73.44 110.644 177.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.31 -35.79 80.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 75.43 110.645 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.5 t -72.21 -36.24 55.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.233 0.539 . . . . 73.43 110.142 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.468 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 7.6 tmtm? -62.9 -32.99 74.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.615 -0.721 . . . . 63.53 109.879 177.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 60' ' ' TYR . 94.8 mttt -73.02 -38.76 66.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.097 -0.501 . . . . 71.13 110.419 175.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.55 -44.37 85.16 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.535 -0.757 . . . . 65.41 112.472 -173.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.9 p -62.32 -35.46 79.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.981 0.419 . . . . 75.31 111.203 -177.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -83.18 -28.42 29.34 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.238 -0.437 . . . . 73.52 110.764 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.2 tp -76.02 -20.4 57.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.983 -0.553 . . . . 54.42 110.555 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.55 34.16 12.27 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.886 -0.673 . . . . 71.05 111.766 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.59 170.31 19.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.011 0.434 . . . . 65.21 110.363 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.49 ' HA ' HG21 ' A' ' 109' ' ' ILE . 19.8 ptpt -153.18 179.16 8.98 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.268 -0.642 . . . . 72.23 109.268 179.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -108.0 145.24 15.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 108.741 -0.837 . . . . 65.44 108.741 172.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.434 ' HD3' ' CD ' ' A' ' 6' ' ' GLU . 63.8 mtp180 -84.31 109.26 17.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.37 0.605 . . . . 65.12 110.443 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 pt . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 114.519 -1.219 . . . . 75.2 112.45 -172.344 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.415 ' HG3' ' HB3' ' A' ' 111' ' ' SER . 72.8 ttt180 . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.938 0.399 . . . . 72.5 110.329 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 148.16 -65.92 0.4 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.839 -0.696 . . . . 52.23 111.411 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.49 HG21 ' HA ' ' A' ' 71' ' ' LYS . 3.9 mp -80.18 -34.69 15.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.419 -0.585 . . . . 73.12 109.419 176.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -137.82 144.32 41.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.378 -0.828 . . . . 70.24 109.496 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.415 ' HB3' ' HG3' ' A' ' 107' ' ' ARG . 85.4 p -173.87 137.65 0.59 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.212 -0.662 . . . . 65.24 109.212 173.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -135.98 172.47 12.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.325 0.583 . . . . 75.33 112.039 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -147.54 154.44 40.73 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.742 -1.117 . . . . 72.41 108.545 -171.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.637 ' HA ' ' HA3' ' A' ' 13' ' ' GLY . 53.2 mtpt -70.82 92.37 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.083 0.468 . . . . 74.34 110.448 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 49.7 t -86.72 134.55 27.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.659 -0.7 . . . . 74.44 110.79 -176.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -91.31 171.33 9.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.871 -0.604 . . . . 70.14 110.695 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.9 94.55 9.81 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.653 0.612 . . . . 71.15 112.653 -168.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -131.09 0.23 4.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.022 -0.535 . . . . 74.42 109.813 169.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.6 t -150.66 36.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.643 -0.708 . . . . 61.32 109.479 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.94 97.47 0.26 Allowed Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.789 -0.641 . . . . 73.23 112.901 -176.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -81.19 158.34 24.93 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.809 -0.441 . . . . 64.33 109.809 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.58 -15.44 62.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.424 -0.353 . . . . 74.31 111.691 -173.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -69.54 -34.92 74.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.291 0.567 . . . . 75.53 109.919 174.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -77.41 -28.03 52.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.67 -0.696 . . . . 63.11 109.68 177.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -56.2 -31.03 63.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.508 -0.769 . . . . 73.2 111.32 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -70.59 -43.45 69.35 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.191 0.441 . . . . 62.41 112.191 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.69 ' HB ' ' HB2' ' A' ' 23' ' ' ALA . 30.0 m -74.51 -28.82 22.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.361 -0.536 . . . . 71.5 109.887 176.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.72 -47.73 84.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.669 -0.696 . . . . 63.25 110.111 173.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 70.2 mtm -61.68 -44.81 96.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.582 . . . . 72.14 111.133 177.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -59.82 -44.26 94.11 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.644 0.259 . . . . 75.01 111.031 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.48 -45.75 92.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.933 0.397 . . . . 43.34 110.904 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.683 ' HB3' ' HB ' ' A' ' 137' ' ' ILE . 82.0 mttt -67.64 -34.4 76.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 72.44 111.404 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 56.1 m -61.91 -39.05 90.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.021 0.438 . . . . 71.51 110.637 177.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.32 -22.83 61.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.036 -0.529 . . . . 72.11 111.195 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.484 ' HB3' ' OE1' ' A' ' 19' ' ' GLN . 98.3 mt -97.56 -17.94 19.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 71.1 111.52 -176.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 93.1 23.04 25.95 Favored Glycine 0 C--O 1.237 0.302 0 C-N-CA 120.738 -0.744 . . . . 73.33 112.234 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.683 ' HB ' ' HB3' ' A' ' 132' ' ' LYS . 55.0 mt . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 109.692 -0.485 . . . . 62.44 109.692 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 C--O 1.233 0.208 0 CA-C-O 121.431 0.634 . . . . 72.41 111.565 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -137.7 2.23 2.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.484 -0.78 . . . . 70.34 110.106 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.95 96.61 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.213 0.449 . . . . 71.24 112.213 -169.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 43.9 101.77 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.51 1.124 . . . . 62.5 113.474 171.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.919 ' HB2' HG23 ' A' ' 72' ' ' ILE . 15.5 m-85 -73.01 125.65 28.13 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.225 -0.658 . . . . 75.13 109.225 178.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.512 ' O ' HG13 ' A' ' 27' ' ' VAL . 19.1 t70 -112.19 91.32 3.61 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.271 -0.422 . . . . 71.33 109.918 -174.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.59 HG12 ' HA ' ' A' ' 26' ' ' PHE . 41.1 t -99.71 115.93 41.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.898 -0.592 . . . . 62.54 110.113 -176.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -146.57 137.58 24.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.971 0.415 . . . . 74.21 111.506 -177.256 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.854 HG21 ' HA ' ' A' ' 24' ' ' TYR . 29.1 m -156.5 140.8 16.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.166 -0.679 . . . . 53.33 109.166 175.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.554 ' HB2' ' HB1' ' A' ' 117' ' ' ALA . 23.8 t70 -94.15 144.58 25.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.635 0.255 . . . . 72.2 110.527 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.76 66.2 3.79 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.866 -0.683 . . . . 63.11 111.712 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.2 m -71.2 152.78 43.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.101 0.477 . . . . 71.35 111.764 -176.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -131.55 171.14 13.78 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.099 -0.704 . . . . 72.25 109.099 177.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.514 HG22 HD21 ' A' ' 17' ' ' ASN . 13.5 p -154.84 134.62 3.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.726 0.298 . . . . 72.21 110.591 178.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.514 HD21 HG22 ' A' ' 16' ' ' VAL . 45.1 m-80 63.66 27.93 14.92 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.968 -0.56 . . . . 71.04 111.149 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.86 8.49 77.8 Favored Glycine 0 C--O 1.227 -0.298 0 C-N-CA 120.624 -0.798 . . . . 73.32 112.091 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -114.39 146.37 40.66 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.514 -0.55 . . . . 72.54 109.514 178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -138.25 152.66 48.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.145 0.498 . . . . 72.11 111.424 -177.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 38' ' ' ASP . . . -140.88 167.41 22.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.095 -0.957 . . . . 61.5 108.716 178.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.424 ' NE1' ' HB3' ' A' ' 38' ' ' ASP . 60.0 p-90 -96.96 130.46 44.27 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.123 -0.631 . . . . 74.3 110.587 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.56 136.14 10.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.336 -0.847 . . . . 73.15 109.315 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.854 ' HA ' HG21 ' A' ' 11' ' ' THR . 39.5 p90 -162.23 163.31 28.31 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.54 -0.3 . . . . 70.35 110.45 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.38 129.2 30.9 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.104 -0.498 . . . . 75.21 111.259 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.59 ' HA ' HG12 ' A' ' 9' ' ' VAL . 81.1 m-85 -88.1 106.15 17.97 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.44 -0.578 . . . . 74.55 109.44 175.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 8' ' ' ASP . 2.5 p -111.18 128.17 67.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.312 0.577 . . . . 74.1 110.964 -178.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.44 120.51 35.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 74.0 110.678 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 62.61 18.7 10.74 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.191 0.519 . . . . 75.44 110.577 176.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.24 0.62 59.69 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.977 -0.556 . . . . 75.34 112.479 -178.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -102.72 134.5 46.01 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.925 -0.162 . . . . 74.41 110.713 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.7 p -79.89 121.4 33.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.242 0.544 . . . . 63.21 110.319 176.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -101.52 -35.8 9.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.335 -0.393 . . . . 64.53 110.932 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -152.43 146.8 25.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.413 -0.358 . . . . 73.1 110.716 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -160.77 151.74 18.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.847 -0.615 . . . . 71.25 110.002 174.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -175.2 169.03 3.34 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.356 -0.384 . . . . 63.32 110.136 173.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -151.03 139.88 20.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.767 0.318 . . . . 72.23 111.054 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.528 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 6.0 t0 -154.39 170.94 20.17 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.098 -1.075 . . . . 55.02 108.098 175.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.8 m -93.01 -176.25 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-O 120.536 0.208 . . . . 64.44 110.715 -175.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.26 97.57 0.33 Allowed Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 110.957 -0.857 . . . . 72.41 110.957 173.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -83.64 179.85 7.51 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.313 0.578 . . . . 73.32 110.791 -173.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 13.4 m120 -87.12 143.68 35.15 Favored Pre-proline 0 C--N 1.312 -1.059 0 CA-C-N 115.43 -0.805 . . . . 72.22 110.533 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 42' ' ' ASN . 53.0 Cg_exo -55.96 -39.94 88.07 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.013 2.475 . . . . 75.21 112.703 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.05 -17.06 64.45 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.845 0.313 . . . . 60.04 111.845 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.09 -39.24 8.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.077 0.465 . . . . 74.14 110.57 177.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.46 ' HA ' ' HB3' ' A' ' 50' ' ' ASN . . . -67.14 -26.71 66.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.937 -0.574 . . . . 65.35 111.799 -177.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.2 p -62.06 -25.06 67.46 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.331 0.493 . . . . 75.31 112.331 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 40.6 ttm -87.72 47.49 1.51 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.395 0.616 . . . . 64.31 110.631 -177.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 56.96 50.39 12.27 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.262 -0.881 . . . . 71.22 111.372 174.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.46 ' HB3' ' HA ' ' A' ' 46' ' ' ALA . 22.9 t-20 -85.18 -78.07 0.27 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.318 -0.401 . . . . 74.11 110.393 177.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 t -66.87 -30.87 51.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.631 0.729 . . . . 65.34 109.715 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.71 -15.39 62.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.117 -0.947 . . . . 74.33 111.533 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.75 -54.29 38.24 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.989 -0.624 . . . . 73.15 113.197 -174.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -63.93 -47.19 81.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.645 0.259 . . . . 74.45 111.404 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.6 pt -67.93 -35.01 70.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.122 0.416 . . . . 73.13 112.122 -176.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.47 -35.24 77.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.892 0.377 . . . . 71.43 110.792 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.41 -39.21 74.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.16 0.505 . . . . 62.34 110.229 176.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 62' ' ' VAL . . . -71.91 -25.71 62.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.81 -0.632 . . . . 72.43 111.109 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.9 tp -58.28 -35.72 72.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.081 0.467 . . . . 72.34 111.104 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.35 -32.22 68.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.038 -0.528 . . . . 75.13 110.107 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.96 -33.93 70.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.994 -0.548 . . . . 74.31 109.791 175.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 58' ' ' ALA . 62.9 t -61.35 -45.97 97.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.811 -0.631 . . . . 71.02 109.648 173.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -60.51 -41.77 95.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.896 -0.593 . . . . 64.02 110.892 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -66.74 -34.76 78.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.484 -0.326 . . . . 64.14 111.588 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.68 -33.16 74.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.363 . . . . 73.31 110.91 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.429 ' HB2' ' CD1' ' A' ' 109' ' ' ILE . 7.2 t -66.95 -32.73 74.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.032 -0.531 . . . . 60.04 110.069 178.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -70.29 -32.42 70.21 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.017 -0.538 . . . . 73.51 111.086 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.3 mp -82.9 -25.22 32.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.027 -0.533 . . . . 73.12 110.306 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.04 34.69 8.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.788 -0.72 . . . . 74.41 112.246 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.0 m -120.96 161.75 20.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.745 0.307 . . . . 75.5 110.665 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -116.42 161.75 18.6 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.067 -0.515 . . . . 71.45 111.108 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.919 HG23 ' HB2' ' A' ' 7' ' ' TYR . 25.9 pt -131.48 176.18 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.239 -0.892 . . . . 74.22 109.78 175.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 9' ' ' VAL . 59.4 mtt-85 -100.79 137.85 38.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.307 -0.627 . . . . 73.01 109.307 172.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.453 HG22 ' HD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.572 0 N-CA-C 109.654 -0.498 . . . . 65.45 109.654 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.509 ' O ' ' HD2' ' A' ' 107' ' ' ARG . 7.3 ppt_? . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 121.376 0.607 . . . . 74.04 111.419 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -147.63 23.11 1.5 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 110.642 -0.983 . . . . 73.02 110.642 173.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.447 HG21 ' O ' ' A' ' 62' ' ' VAL . 4.2 mt -96.2 -25.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.191 -0.504 . . . . 73.42 111.418 -173.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -129.05 145.86 51.16 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 120.221 -0.592 . . . . 73.52 111.233 -176.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.5 m -117.53 131.36 56.72 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.544 -0.91 . . . . 75.33 108.544 171.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.453 ' HD1' HG22 ' A' ' 74' ' ' ILE . 89.9 t80 -109.1 135.3 50.46 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.633 -0.427 . . . . 73.34 110.755 -178.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -147.87 122.3 9.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.898 -0.779 . . . . 72.14 108.898 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -78.52 78.89 4.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.431 0.634 . . . . 64.03 109.594 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.4 p -106.49 122.13 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-N 115.66 -0.7 . . . . 75.13 110.805 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.452 ' C ' ' HD3' ' A' ' 116' ' ' LYS . 5.4 tmtm? -78.13 120.16 22.54 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.08 -0.711 . . . . 64.41 109.08 177.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.554 ' HB1' ' HB2' ' A' ' 12' ' ' ASP . . . -69.95 100.9 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.087 0.47 . . . . 61.14 110.399 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -116.13 13.21 15.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.679 -0.691 . . . . 72.23 109.409 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.6 m -72.73 -29.53 63.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.549 -0.75 . . . . 74.24 111.285 -176.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 65.39 44.6 93.05 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.658 -0.782 . . . . 72.14 111.357 -175.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -96.62 177.24 5.73 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.74 -0.467 . . . . 74.21 109.74 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -46.18 -59.5 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.492 0.717 . . . . 70.22 112.187 -178.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -62.35 -26.57 68.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.0 -0.545 . . . . 75.55 111.754 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.415 ' C ' HD21 ' A' ' 124' ' ' ASN . 0.2 OUTLIER -70.88 -50.15 38.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.12 -0.491 . . . . 72.21 109.813 -177.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -75.66 -26.46 57.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.11 -0.496 . . . . 72.41 110.983 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -62.69 -48.46 79.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.632 -0.258 . . . . 72.03 111.086 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.1 p -65.34 -31.48 54.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-O 120.936 0.398 . . . . 64.01 110.603 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -61.26 -50.61 72.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.931 -0.577 . . . . 72.25 109.643 176.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 61.5 ttp -68.39 -33.1 73.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.516 -0.765 . . . . 71.23 110.572 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -61.06 -48.57 81.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.81 -0.632 . . . . 61.21 110.144 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -70.25 -32.45 70.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.105 -0.498 . . . . 73.15 110.727 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.688 ' HD2' HD12 ' A' ' 137' ' ' ILE . 21.1 tptm -56.09 -45.71 79.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.767 -0.651 . . . . 63.32 110.216 178.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 34.6 t -75.13 -35.64 61.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.656 -0.702 . . . . 62.14 110.835 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.11 -27.26 67.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 41.2 111.754 -176.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 97.2 mt -84.64 -11.72 55.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.19 0.519 . . . . 65.24 110.102 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.58 23.09 51.86 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.614 -0.803 . . . . 53.05 112.875 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.688 HD12 ' HD2' ' A' ' 132' ' ' LYS . 63.1 mt . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 109.788 -0.449 . . . . 72.42 109.788 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . 0.465 ' HB3' ' HE1' ' A' ' 7' ' ' TYR . 1.2 m-20 . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 107.659 -1.237 . . . . 71.03 107.659 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.9 mtt-85 -93.89 -1.7 54.4 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.902 0.705 . . . . 72.21 112.902 -168.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.0 p -104.38 162.97 12.77 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.631 -0.428 . . . . 75.53 110.862 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.41 140.52 45.37 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.889 -0.411 . . . . 74.44 109.889 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.629 ' CD1' ' HB2' ' A' ' 28' ' ' LYS . 23.1 m-85 -88.3 128.25 35.48 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.482 0.658 . . . . 73.24 111.08 -172.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . 0.821 ' HB2' ' HE2' ' A' ' 10' ' ' TYR . 16.4 p-10 -112.87 94.62 4.99 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.923 -1.035 . . . . 74.44 111.216 -176.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 21.5 t -103.57 111.14 32.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.455 -0.572 . . . . 70.13 109.455 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.821 ' HE2' ' HB2' ' A' ' 8' ' ' ASP . 7.4 p90 -154.35 142.21 20.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.959 0.409 . . . . 72.45 111.475 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.704 HG22 ' HA ' ' A' ' 24' ' ' TYR . 15.4 p -142.32 172.21 13.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.469 -0.787 . . . . 71.43 109.535 175.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -90.69 147.39 23.3 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.968 -0.382 . . . . 74.35 109.968 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -141.08 35.03 1.88 Allowed Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.973 -0.632 . . . . 54.24 111.744 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 t -103.02 122.5 44.76 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.944 -0.391 . . . . 72.53 109.944 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.519 ' HB3' ' HB3' ' A' ' 20' ' ' TYR . 6.3 p90 -68.21 106.06 2.31 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.431 0.634 . . . . 73.41 109.724 176.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.558 HG12 ' HE3' ' A' ' 132' ' ' LYS . 7.6 p -100.16 129.01 51.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.572 -0.74 . . . . 74.53 110.959 -173.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.405 ' OD1' HG23 ' A' ' 16' ' ' VAL . 22.3 m120 63.37 26.99 15.19 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.126 -0.943 . . . . 73.14 110.626 -176.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.29 -22.03 11.3 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.758 -0.655 . . . . 71.12 112.815 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.579 ' HG2' ' HG ' ' A' ' 135' ' ' LEU . 2.0 mp0 -81.63 140.24 34.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.999 0.428 . . . . 72.13 110.85 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.519 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 42.4 p90 -139.69 153.36 47.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.021 -0.536 . . . . 74.04 109.989 177.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.67 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -155.49 169.98 23.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.107 -0.497 . . . . 55.33 109.865 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.3 p-90 -97.22 129.18 44.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.908 -0.775 . . . . 74.44 108.908 174.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.05 136.95 6.03 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.335 -174.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.704 ' HA ' HG22 ' A' ' 11' ' ' THR . 47.7 p90 -166.86 155.75 10.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.276 0.56 . . . . 75.44 110.915 178.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.484 ' H ' HG22 ' A' ' 11' ' ' THR . . . -142.64 126.6 17.27 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.379 -0.828 . . . . 63.32 109.14 177.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -84.3 96.45 9.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.55 0.69 . . . . 75.01 109.858 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 8' ' ' ASP . 1.9 p -96.29 145.75 8.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 114.528 -1.214 . . . . 75.54 109.446 176.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.713 ' HZ1' ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -163.74 137.45 5.62 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.355 -0.609 . . . . 72.22 109.355 176.658 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.413 ' HB2' ' HB3' ' A' ' 3' ' ' ASP . 9.1 t70 66.2 11.81 8.12 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.657 0.742 . . . . 74.12 109.945 178.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.75 -4.22 63.37 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.584 -0.734 . . . . 65.53 112.5 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 27' ' ' VAL . 12.2 mptt -106.67 150.98 25.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.016 0.436 . . . . 72.13 111.172 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.6 t -102.46 111.98 34.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.694 -0.685 . . . . 73.34 109.252 174.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -94.59 -15.76 23.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.527 -0.306 . . . . 65.24 111.25 -173.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.52 ' CE2' ' HG3' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -160.2 144.04 14.11 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.917 -0.771 . . . . 75.3 108.917 176.82 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -155.34 127.09 7.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.887 0.375 . . . . 60.24 111.612 -172.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -154.66 135.48 13.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.01 -0.541 . . . . 71.11 109.57 174.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -155.53 121.16 4.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.457 -0.338 . . . . 71.21 110.297 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -166.68 164.51 16.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 73.13 110.748 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.67 HG11 ' HB2' ' A' ' 21' ' ' ALA . 30.9 m -89.23 146.15 6.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.036 0.446 . . . . 63.34 111.321 -178.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.98 111.79 0.32 Allowed Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.834 -0.698 . . . . 64.42 112.983 176.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -92.18 174.38 7.34 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 107.951 -1.129 . . . . 62.44 107.951 171.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -143.54 144.61 28.28 Favored Pre-proline 0 C--N 1.31 -1.127 0 CA-C-N 116.647 -0.252 . . . . 71.21 110.536 -176.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -66.02 -16.15 51.35 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.91 2.407 . . . . 73.3 111.438 174.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.35 -7.46 37.54 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.51 -0.768 . . . . 73.44 111.083 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.91 -37.26 78.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 74.34 110.532 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.47 -27.02 51.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.887 -0.597 . . . . 72.01 110.704 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.3 m -65.33 -46.29 80.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 75.33 110.688 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 49.6 ttm -96.64 -82.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 63.32 110.34 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.722 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . 11.6 ptt180 -167.66 -51.16 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.678 -0.237 . . . . 71.25 110.703 178.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.517 ' N ' ' HG3' ' A' ' 49' ' ' ARG . 0.6 OUTLIER 50.78 -87.42 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.97 0.908 . . . . 71.21 112.212 -176.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.609 ' O ' HG12 ' A' ' 55' ' ' ILE . 29.7 t -65.88 -38.32 81.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.559 -0.292 . . . . 74.42 110.598 -176.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.722 ' HB1' ' HB2' ' A' ' 49' ' ' ARG . . . -55.7 -35.0 65.59 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.098 -0.501 . . . . 73.51 112.215 -176.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.48 -48.11 19.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 60.33 111.927 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.52 ' HG3' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -67.62 -26.56 66.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.689 0.28 . . . . 64.01 111.127 -178.38 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.609 HG12 ' O ' ' A' ' 51' ' ' VAL . 17.0 mm -55.3 -30.11 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 116.019 -0.537 . . . . 54.55 111.742 176.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.08 -45.56 43.3 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.071 0.397 . . . . 51.21 112.071 -177.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.54 -33.69 74.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.864 0.364 . . . . 64.24 111.559 -177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.607 ' O ' HG22 ' A' ' 62' ' ' VAL . . . -77.38 -40.09 45.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.154 -0.475 . . . . 72.23 110.571 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.486 HD22 ' HE3' ' A' ' 63' ' ' LYS . 10.2 tt -59.81 -50.99 71.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 74.35 111.061 -176.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.405 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 44.1 m-85 -68.76 -28.35 66.72 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.96 -0.296 . . . . 73.4 110.536 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.563 ' HB2' ' HH ' ' A' ' 110' ' ' TYR . . . -65.72 -37.11 85.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.627 -0.26 . . . . 52.31 110.509 177.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 58' ' ' ALA . 39.8 t -60.93 -45.04 99.08 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 CA-C-O 121.47 0.652 . . . . 75.24 109.516 174.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.486 ' HE3' HD22 ' A' ' 59' ' ' LEU . 77.6 mttt -66.95 -43.93 81.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.088 -0.96 . . . . 75.2 111.341 -178.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 60' ' ' TYR . 61.3 mtpt -62.17 -41.04 97.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 75.11 111.064 178.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.568 ' HB1' ' CD2' ' A' ' 7' ' ' TYR . . . -71.25 -32.22 68.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.624 0.249 . . . . 74.52 110.701 178.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.2 t -62.56 -41.05 98.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 70.2 110.066 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.85 -31.06 59.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.022 -0.536 . . . . 63.43 110.823 177.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.6 tp -74.36 -25.53 59.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.34 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.67 38.81 11.36 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.973 -0.558 . . . . 73.24 112.824 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.4 m -134.72 176.43 8.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.821 0.343 . . . . 74.23 111.089 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -117.19 164.47 14.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.943 -0.571 . . . . 73.13 110.257 176.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.554 HG12 ' CD1' ' A' ' 110' ' ' TYR . 1.5 pp -122.95 158.71 27.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.416 -0.587 . . . . 70.04 109.416 173.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -125.98 111.16 14.42 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.936 -0.394 . . . . 73.43 109.936 176.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.412 0 CA-C-O 121.924 0.869 . . . . 74.34 108.997 175.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 . . . . . 0 N--CA 1.45 -0.459 0 CA-C-O 121.115 0.483 . . . . 52.4 110.239 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -144.39 -43.48 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.463 -0.789 . . . . 54.22 111.174 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.607 ' H ' HD12 ' A' ' 109' ' ' ILE . 4.6 mp -64.84 -39.61 86.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.482 0.658 . . . . 73.52 109.313 173.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.563 ' HH ' ' HB2' ' A' ' 61' ' ' ALA . 2.5 m-85 -111.09 143.92 41.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.531 -0.759 . . . . 74.54 109.456 174.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.502 ' O ' HG23 ' A' ' 74' ' ' ILE . 77.4 p -156.23 162.78 40.12 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.444 -0.576 . . . . 63.45 109.444 176.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -116.63 134.6 54.63 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.838 0.351 . . . . 75.12 110.23 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -131.74 136.89 47.95 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.94 -0.573 . . . . 62.04 110.66 -175.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -106.36 89.59 3.09 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.209 0.528 . . . . 74.35 109.715 173.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.7 p -135.3 137.12 50.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.66 -0.7 . . . . 74.24 109.488 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -122.95 92.67 3.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.079 0.466 . . . . 70.31 109.836 -179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -131.47 -80.07 0.52 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.875 -0.602 . . . . 72.54 109.437 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -101.67 32.54 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.822 -0.807 . . . . 72.41 108.822 172.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.8 m -84.02 29.36 0.56 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.879 -1.055 . . . . 72.44 111.773 -172.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -132.55 70.32 0.52 Allowed Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.089 -0.804 . . . . 73.44 111.089 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -89.81 -176.42 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.793 0.33 . . . . 71.3 110.828 -178.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.32 -34.44 75.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 64.11 111.135 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -74.23 -26.62 60.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.072 -0.513 . . . . 71.44 111.286 -177.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -69.07 -44.42 72.6 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.416 -0.587 . . . . 73.11 109.416 174.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.14 -34.59 76.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.208 -0.906 . . . . 73.12 110.838 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.717 ' HA ' ' HE2' ' A' ' 129' ' ' MET . 65.3 t80 -58.78 -41.25 86.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.765 -0.652 . . . . 72.21 110.953 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 54.0 t -69.97 -38.74 76.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 74.31 111.063 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -58.2 -49.14 78.11 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.927 0.394 . . . . 73.23 111.13 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.717 ' HE2' ' HA ' ' A' ' 126' ' ' TYR . 54.4 mtm -58.88 -45.69 89.6 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.917 -0.583 . . . . 62.21 111.15 -178.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -66.42 -40.15 89.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.898 -0.592 . . . . 73.23 110.146 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.63 -51.35 70.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 71.34 111.07 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.558 ' HE3' HG12 ' A' ' 16' ' ' VAL . 32.4 mmtp -63.06 -38.77 92.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 70.41 111.174 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.6 m -65.48 -30.67 71.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.145 -0.48 . . . . 60.24 110.747 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . 0.523 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -74.36 -21.26 59.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 74.4 111.429 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.579 ' HG ' ' HG2' ' A' ' 19' ' ' GLN . 1.3 mm? -85.37 -8.29 58.52 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.554 -0.536 . . . . 73.31 109.554 174.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.85 16.25 63.78 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.724 -0.75 . . . . 61.13 111.81 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 71.9 mt . . . . . 0 C--N 1.323 -0.544 0 CA-C-O 120.777 0.322 . . . . 65.42 110.419 -179.462 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 N--CA 1.45 -0.446 0 CA-C-O 121.675 0.75 . . . . 74.14 109.638 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -113.8 3.14 15.38 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.342 -0.844 . . . . 74.23 111.109 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.3 t -86.96 164.09 16.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.166 -0.47 . . . . 75.02 110.955 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.509 ' HA ' HG22 ' A' ' 72' ' ' ILE . 1.4 mp0 -59.36 120.71 9.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.74 -0.664 . . . . 74.52 110.182 178.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -72.28 142.36 48.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.248 -0.433 . . . . 55.01 110.446 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -92.91 95.24 9.38 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.972 -0.751 . . . . 74.33 108.972 174.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.3 t -94.48 127.0 46.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.602 -0.727 . . . . 63.01 110.4 -174.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.571 ' O ' HG23 ' A' ' 11' ' ' THR . 66.0 m-85 -88.49 175.85 7.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.335 -0.393 . . . . 73.52 111.095 -178.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.899 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 2.7 t 58.39 4.44 0.34 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.309 1.444 . . . . 71.54 113.592 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.45 ' CB ' ' HG ' ' A' ' 111' ' ' SER . 24.9 p-10 -74.7 80.74 2.05 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.677 0.751 . . . . 75.4 111.412 -178.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.2 -102.26 0.65 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.635 -0.793 . . . . 63.21 112.708 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . 0.42 ' HA ' ' CG ' ' A' ' 114' ' ' LYS . 11.8 p -165.05 -76.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.849 0.356 . . . . 75.11 110.605 -177.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -145.73 167.87 22.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.049 -0.523 . . . . 73.42 109.895 177.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.506 HG21 ' ND2' ' A' ' 17' ' ' ASN . 12.1 p -146.82 137.46 17.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.667 0.27 . . . . 61.4 110.502 178.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.506 ' ND2' HG21 ' A' ' 16' ' ' VAL . 52.1 m-80 60.74 26.68 16.46 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.033 -0.53 . . . . 74.23 110.802 -177.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.36 -3.93 65.33 Favored Glycine 0 CA--C 1.521 0.469 0 CA-C-N 116.083 -0.508 . . . . 71.1 112.445 -177.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.57 ' HB3' HD23 ' A' ' 135' ' ' LEU . 16.5 mm-40 -101.75 137.13 40.47 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.169 -0.308 . . . . 72.12 110.169 -178.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -120.03 146.6 45.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.976 0.417 . . . . 74.22 110.626 178.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.566 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -155.05 167.17 31.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.682 -0.69 . . . . 65.02 109.529 -178.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.437 ' CE2' ' HB3' ' A' ' 38' ' ' ASP . 35.2 p-90 -105.4 130.08 53.57 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.565 -0.531 . . . . 74.34 109.565 178.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.15 167.43 18.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.072 -0.513 . . . . 73.03 110.214 -176.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.495 ' HA ' ' CG2' ' A' ' 11' ' ' THR . 49.4 p90 -167.16 157.5 11.32 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 123.396 0.435 . . . . 73.42 110.93 177.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.57 102.23 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.427 -0.806 . . . . 45.2 109.906 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -90.42 109.96 21.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.197 0.522 . . . . 74.22 110.309 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 1.5 p -129.78 133.96 63.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.373 -0.83 . . . . 71.24 111.744 -174.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -145.61 139.94 27.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.483 -0.781 . . . . 75.04 109.097 173.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.5 t70 64.83 15.17 9.7 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.544 0.688 . . . . 74.43 110.494 -178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.93 -1.55 83.37 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.814 -0.708 . . . . 73.1 112.322 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 27' ' ' VAL . 13.4 mptt -96.72 135.55 38.51 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 121.393 0.616 . . . . 72.24 110.222 178.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.24 124.04 65.6 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 CA-C-N 114.964 -1.016 . . . . 63.32 110.094 -178.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.457 ' CD2' ' HD1' ' A' ' 34' ' ' TYR . 85.1 t60 -72.93 -49.34 30.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.931 -0.577 . . . . 74.45 110.495 -177.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.457 ' HD1' ' CD2' ' A' ' 33' ' ' HIS . 8.0 m-85 -143.41 140.45 30.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.955 0.407 . . . . 75.44 110.555 176.173 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.6 119.06 21.92 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.385 -0.825 . . . . 75.42 109.227 173.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -167.51 163.39 14.77 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.24 -0.652 . . . . 62.04 109.24 -177.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -159.3 121.61 3.48 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.846 -0.427 . . . . 73.14 109.846 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.494 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 31.3 t70 -132.6 153.01 51.45 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.867 -0.333 . . . . 71.11 110.287 -177.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.522 HG11 HD22 ' A' ' 135' ' ' LEU . 27.1 m -84.23 174.97 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.05 0.452 . . . . 75.22 111.856 -174.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.56 87.16 0.52 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.362 -0.695 . . . . 62.12 111.362 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -92.94 -168.05 1.86 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.062 0.458 . . . . 61.42 110.864 -177.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -57.44 150.54 43.72 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.012 -0.994 . . . . 65.41 111.175 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.68 -14.7 18.12 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.363 2.709 . . . . 70.41 112.906 -178.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.47 -45.72 80.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.398 -0.364 . . . . 70.12 110.812 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.25 -30.09 61.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.032 0.444 . . . . 71.11 110.662 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.13 -22.63 61.29 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.875 -0.602 . . . . 37.64 110.825 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.7 m -96.84 -49.3 5.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.619 -0.719 . . . . 64.01 110.418 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 66.1 mtm -88.98 67.79 8.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.565 0.698 . . . . 73.32 109.598 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.766 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 84.5 mtt180 -75.7 89.2 2.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.406 -0.815 . . . . 72.12 110.754 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -71.3 -65.31 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.69 0.281 . . . . 74.55 110.436 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.41 -48.6 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 72.12 110.674 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.766 ' HB1' ' HB3' ' A' ' 49' ' ' ARG . . . -68.78 -13.91 62.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.649 -0.705 . . . . 64.31 111.551 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.41 -38.13 93.01 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 116.137 -0.483 . . . . 74.35 113.247 -177.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.42 -30.58 71.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.128 0.464 . . . . 72.2 110.101 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.4 mm -70.17 -36.65 68.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 74.51 109.804 177.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.05 -29.27 65.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.649 -0.705 . . . . 62.15 110.681 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.48 -37.78 42.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.126 -0.488 . . . . 74.45 110.218 176.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.0 -21.12 65.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.71 -0.677 . . . . 71.14 111.269 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.4 tp -50.68 -34.22 25.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.081 -0.509 . . . . 64.54 111.609 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -60.85 -48.88 79.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.486 -0.325 . . . . 60.35 110.606 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -30.61 70.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.019 0.438 . . . . 61.23 110.472 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.497 HG11 ' HD1' ' A' ' 110' ' ' TYR . 82.0 t -65.02 -45.92 93.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.846 -0.616 . . . . 75.11 110.442 176.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -68.21 -32.82 73.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.547 0.689 . . . . 74.2 109.723 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -61.57 -33.03 73.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.001 -1.0 . . . . 65.12 110.788 174.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.418 ' HB3' HG22 ' A' ' 70' ' ' VAL . . . -64.72 -29.88 70.88 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.327 -0.397 . . . . 73.13 111.391 -178.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.7 m -60.01 -37.35 79.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.112 0.482 . . . . 72.24 110.049 175.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -82.98 -33.17 26.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.657 -0.702 . . . . 74.4 110.944 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.1 tp -68.42 -26.6 65.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 74.43 110.848 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.0 26.78 9.99 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.678 -0.773 . . . . 63.43 113.05 176.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.418 HG22 ' HB3' ' A' ' 65' ' ' ALA . 19.3 m -131.01 135.07 60.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.009 0.433 . . . . 70.45 110.766 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.84 ' HA ' HG22 ' A' ' 109' ' ' ILE . 14.4 ttpt -132.83 144.33 50.14 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.95 -0.568 . . . . 74.41 109.609 178.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.609 HG13 ' O ' ' A' ' 109' ' ' ILE . 2.1 pp -106.48 154.07 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 108.404 -0.961 . . . . 73.2 108.404 174.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -83.52 101.87 11.73 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.032 0.444 . . . . 74.12 111.06 -171.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.676 HD13 ' HE1' ' A' ' 112' ' ' PHE . 25.3 pt . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.682 -0.69 . . . . 62.13 109.645 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.227 0 N-CA-C 110.621 -0.14 . . . . 74.23 110.621 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 46.8 77.52 0.1 Allowed Glycine 0 C--N 1.334 0.453 0 O-C-N 123.723 0.639 . . . . 72.44 113.387 174.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.84 HG22 ' HA ' ' A' ' 71' ' ' LYS . 32.7 mm -60.41 -25.42 34.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 111.803 0.297 . . . . 75.55 111.803 -177.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.497 ' HD1' HG11 ' A' ' 62' ' ' VAL . 1.7 p90 -92.53 159.26 15.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.88 0.371 . . . . 75.45 110.902 -175.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.621 ' HA ' HG22 ' A' ' 74' ' ' ILE . 8.5 t -74.41 174.97 8.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.978 -0.555 . . . . 74.21 110.416 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.676 ' HE1' HD13 ' A' ' 74' ' ' ILE . 97.0 m-85 -98.53 168.47 10.16 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.319 -0.252 . . . . 64.32 110.319 -175.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . 0.526 ' O ' ' HD2' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -94.68 107.65 19.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.088 0.946 . . . . 72.32 109.764 179.169 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.526 ' HD2' ' O ' ' A' ' 113' ' ' GLU . 13.8 mptt -151.1 152.82 33.95 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.571 -1.195 . . . . 74.44 109.869 -165.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.0 p -99.17 148.71 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.727 0.298 . . . . 63.53 110.603 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.899 ' HG2' ' HA ' ' A' ' 11' ' ' THR . 14.2 ptpt -158.39 172.52 18.19 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 110.265 -0.272 . . . . 65.3 110.265 176.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.479 ' O ' HG22 ' A' ' 16' ' ' VAL . . . 75.67 156.99 0.18 Allowed 'General case' 0 N--CA 1.466 0.346 0 O-C-N 124.427 1.08 . . . . 75.31 112.643 170.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -126.44 1.05 6.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.202 -0.908 . . . . 63.22 110.121 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.9 t -149.9 -34.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.97 -0.559 . . . . 74.12 109.811 175.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.81 163.67 2.39 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-O 121.468 0.482 . . . . 50.23 113.619 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -76.5 176.15 8.56 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.98 -1.118 . . . . 64.51 107.98 169.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 125' ' ' ASP . 35.3 tt0 -51.01 -54.15 27.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.612 0.597 . . . . 74.11 112.612 -174.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -76.47 -26.58 55.51 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.613 -0.267 . . . . 75.23 111.596 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -72.1 -27.91 62.95 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.694 -0.484 . . . . 71.33 109.694 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.553 ' HA ' ' HB3' ' A' ' 128' ' ' ASP . 12.9 t70 -53.18 -29.12 29.99 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.351 -0.84 . . . . 72.23 111.366 176.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -58.4 -52.29 66.23 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.368 -0.378 . . . . 73.23 111.043 175.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 92.6 t -76.86 -36.71 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 75.34 110.379 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.553 ' HB3' ' HA ' ' A' ' 125' ' ' ASP . 4.2 t70 -56.16 -55.24 35.55 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.049 -0.523 . . . . 61.24 111.12 176.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 43.8 ttp -60.94 -39.01 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 75.03 110.904 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -69.73 -42.87 73.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.357 -0.383 . . . . 72.15 110.952 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.68 96.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.336 -0.393 . . . . 73.51 110.536 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -56.95 -42.77 80.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.162 -0.472 . . . . 75.52 111.077 176.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.7 m -65.76 -42.08 91.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.312 -0.404 . . . . 75.3 110.859 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.49 -39.34 64.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.355 -0.384 . . . . 65.34 111.611 -178.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.57 HD23 ' HB3' ' A' ' 19' ' ' GLN . 98.5 mt -80.97 -17.67 49.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.357 -0.383 . . . . 70.42 110.654 -176.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.18 24.88 35.6 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.099 -1.048 . . . . 65.04 112.458 177.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.1 mm . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 121.334 0.588 . . . . 62.05 110.913 -177.823 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.979 0.418 . . . . 65.53 111.52 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -82.67 50.4 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.14 -0.482 . . . . 74.11 110.476 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 t -139.79 95.29 2.88 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.876 -0.33 . . . . 71.24 111.79 -178.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 43.29 91.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.19 -0.913 . . . . 74.02 112.925 173.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.478 ' O ' ' HB ' ' A' ' 72' ' ' ILE . 74.0 m-85 -72.64 155.55 39.89 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.466 -0.788 . . . . 65.22 110.899 -175.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -109.68 124.99 52.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.15 0.5 . . . . 72.31 110.01 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.0 t -129.27 122.85 56.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.881 -0.6 . . . . 75.21 109.738 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.484 ' HB3' ' OD1' ' A' ' 124' ' ' ASN . 58.7 m-85 -101.97 137.89 39.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.122 -0.49 . . . . 74.15 110.287 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -168.27 148.32 4.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.018 -0.537 . . . . 73.4 110.282 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -132.93 144.06 49.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.349 -0.387 . . . . 73.45 110.216 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.73 73.21 2.7 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 120.664 -0.779 . . . . 71.11 111.315 177.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.0 m -78.07 103.09 7.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.966 0.412 . . . . 60.14 110.799 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -144.95 144.7 31.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.855 -0.612 . . . . 73.43 109.667 175.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.0 p -169.38 139.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.315 -0.402 . . . . 61.13 110.621 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 63.35 28.33 15.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.903 -0.589 . . . . 71.45 111.333 171.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.21 -14.96 62.25 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.64 -0.79 . . . . 70.43 112.163 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -89.08 140.29 29.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.825 0.345 . . . . 74.31 110.66 178.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . 0.615 ' HE1' ' H ' ' A' ' 41' ' ' LYS . 25.0 p90 -147.6 140.32 24.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.891 -0.595 . . . . 74.33 110.745 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.48 154.43 46.1 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.989 -0.551 . . . . 64.21 110.051 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.523 ' HB3' ' HE2' ' A' ' 41' ' ' LYS . 32.7 p-90 -114.51 130.41 56.74 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.997 0.427 . . . . 74.05 110.086 177.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.745 ' HB1' HG23 ' A' ' 127' ' ' VAL . . . -145.64 136.15 24.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.736 -0.665 . . . . 61.5 110.147 -177.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -142.57 138.48 30.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.385 -0.37 . . . . 73.41 110.47 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.439 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -119.68 104.91 10.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.883 -0.599 . . . . 73.54 110.038 175.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.474 ' HD2' ' HB2' ' A' ' 34' ' ' TYR . 97.3 m-85 -90.79 98.91 12.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.968 -0.56 . . . . 61.14 110.163 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.505 ' HA ' ' HA ' ' A' ' 32' ' ' VAL . 3.0 p -106.71 124.59 62.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.427 0.632 . . . . 65.31 111.066 -175.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -133.21 131.13 39.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.836 -0.62 . . . . 74.42 109.838 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 68.19 10.31 7.75 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.002 -0.545 . . . . 71.11 110.752 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.36 1.98 60.56 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.819 -0.705 . . . . 74.43 111.638 -176.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -113.77 126.97 55.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.36 . . . . 75.14 110.358 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.505 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 5.9 p -85.63 106.95 15.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.588 0.708 . . . . 71.53 110.238 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -78.21 -43.47 28.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.906 -0.588 . . . . 72.31 110.271 -174.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.474 ' HB2' ' HD2' ' A' ' 26' ' ' PHE . 94.3 m-85 -122.65 139.23 54.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.131 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -161.64 120.42 2.4 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.556 0.535 . . . . 72.32 109.732 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -165.84 157.15 13.82 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.995 -0.372 . . . . 75.33 109.995 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.491 ' HB3' ' HB3' ' A' ' 130' ' ' LYS . . . -143.47 108.47 4.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.478 -0.328 . . . . 70.25 110.558 179.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -116.04 148.07 40.58 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.547 -0.538 . . . . 71.41 109.547 -177.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.9 m -93.41 136.08 26.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.131 0.491 . . . . 72.32 111.207 -177.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.4 108.34 1.04 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.569 -0.824 . . . . 61.22 112.189 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.615 ' H ' ' HE1' ' A' ' 20' ' ' TYR . 86.7 mttt -92.14 96.47 10.34 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.794 -0.447 . . . . 74.31 109.794 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -134.38 144.75 52.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.2 -0.454 . . . . 74.41 111.029 -175.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.57 -11.48 31.92 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.917 2.412 . . . . 64.31 112.456 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.2 -22.6 63.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.055 -0.52 . . . . 72.12 111.209 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.16 -28.3 69.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.262 -0.426 . . . . 73.45 110.932 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.803 ' HB1' ' HB2' ' A' ' 52' ' ' ALA . . . -78.22 -30.04 48.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.308 -0.406 . . . . 74.41 110.631 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.1 m -79.99 -43.81 21.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.054 -0.521 . . . . 73.0 110.642 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.0 ttm -80.2 -67.54 0.76 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.524 . . . . 72.21 111.473 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -89.05 -14.86 35.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.595 -0.275 . . . . 72.02 111.286 -171.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.478 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 9.1 t-20 69.96 -1.46 2.36 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.241 0.617 . . . . 74.03 111.603 175.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 55' ' ' ILE . 58.8 t -56.83 -43.02 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.184 -0.462 . . . . 64.53 111.853 -175.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.803 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . . . -62.99 -21.93 66.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.631 0.253 . . . . 54.32 111.652 -176.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.34 -50.98 9.01 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.909 -0.662 . . . . 63.54 112.192 177.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.4 -33.99 69.97 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.972 0.36 . . . . 73.14 111.972 -175.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' ' 51' ' ' VAL . 40.5 pt -71.12 -29.42 36.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.737 0.303 . . . . 54.23 111.547 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.61 -24.4 8.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.775 -0.648 . . . . 54.32 112.324 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.02 -31.98 67.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.004 0.431 . . . . 73.41 111.197 177.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.56 -23.82 61.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 74.24 111.285 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 tt -63.0 -40.99 99.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.968 0.413 . . . . 72.51 110.023 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.4 -25.86 59.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.249 -0.432 . . . . 73.41 111.402 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.95 94.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.108 0.48 . . . . 51.05 109.721 173.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.1 t -69.75 -34.75 62.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.67 -0.695 . . . . 73.11 110.255 175.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -59.54 -44.53 93.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.814 -0.63 . . . . 71.43 110.168 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.505 ' HB2' ' HZ1' ' A' ' 64' ' ' LYS . 4.2 ttmp? -70.69 -28.24 64.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 63.13 110.989 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.41 ' HB3' HG21 ' A' ' 70' ' ' VAL . . . -56.36 -35.32 67.53 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.298 0.481 . . . . 64.12 112.298 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.817 ' HB3' HD12 ' A' ' 109' ' ' ILE . 61.7 p -60.22 -38.2 82.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.16 0.505 . . . . 74.43 111.025 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -66.49 -35.67 80.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.492 -0.777 . . . . 73.33 110.561 -177.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.6 mp -84.16 -25.54 29.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.808 -0.633 . . . . 71.41 110.635 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.32 18.87 47.9 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.879 -0.677 . . . . 74.14 111.916 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.41 HG21 ' HB3' ' A' ' 65' ' ' ALA . 30.1 m -99.61 158.0 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.944 -0.391 . . . . 70.41 109.944 178.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -153.45 -179.7 8.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.565 -0.289 . . . . 74.33 110.279 -173.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.628 HG12 ' O ' ' A' ' 109' ' ' ILE . 32.5 pt -114.48 -176.34 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.879 -0.785 . . . . 63.43 108.879 171.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -132.74 119.53 20.46 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.134 -0.626 . . . . 75.44 111.195 -178.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 112' ' ' PHE . 5.8 tp . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.887 -0.597 . . . . 72.03 109.911 175.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 . . . . . 0 C--O 1.235 0.311 0 CA-C-O 121.341 0.591 . . . . 72.42 112.082 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.7 69.75 2.98 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.654 -0.703 . . . . 74.22 111.825 177.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.817 HD12 ' HB3' ' A' ' 66' ' ' SER . 19.8 mt -64.94 -31.78 55.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.04 0.448 . . . . 73.31 110.906 -178.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -103.13 171.23 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.595 -0.73 . . . . 74.31 110.802 -177.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . 0.552 ' N ' HD13 ' A' ' 72' ' ' ILE . 14.2 p -79.55 130.92 35.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.77 -0.65 . . . . 55.32 112.039 -173.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . 0.534 ' O ' HG12 ' A' ' 74' ' ' ILE . 97.7 m-85 -109.03 171.9 7.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.705 -0.68 . . . . 75.12 109.366 173.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.0 118.55 32.84 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.451 0.643 . . . . 74.21 109.596 175.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -151.58 139.22 19.69 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.522 -0.763 . . . . 73.1 109.802 -175.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.0 p -74.49 98.21 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.901 0.858 . . . . 60.23 111.175 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -120.95 114.34 21.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.378 -0.828 . . . . 73.45 109.642 176.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 68.47 -178.97 0.22 Allowed 'General case' 0 C--O 1.233 0.206 0 O-C-N 124.022 0.826 . . . . 44.11 110.39 -175.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -136.09 5.21 3.03 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.448 -0.501 . . . . 71.13 110.82 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 m -84.94 -35.48 22.05 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.829 0.307 . . . . 75.41 111.829 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 69.08 155.03 0.84 Allowed Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.867 -0.682 . . . . 75.12 112.274 -174.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -113.19 146.9 38.49 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.037 -0.727 . . . . 75.53 109.037 173.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . 0.605 ' HA ' ' HB3' ' A' ' 125' ' ' ASP . 44.1 mt-10 -75.73 -18.07 59.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.908 0.336 . . . . 72.22 111.908 -173.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -67.2 -36.94 82.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.419 -0.586 . . . . 74.04 109.419 170.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.484 ' OD1' ' HB3' ' A' ' 10' ' ' TYR . 7.8 t30 -77.95 -35.55 50.24 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.502 -0.772 . . . . 72.02 109.849 174.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.605 ' HB3' ' HA ' ' A' ' 122' ' ' GLU . 23.1 t70 -52.85 -37.14 59.87 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.571 -0.741 . . . . 74.42 112.507 -175.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -70.68 -45.86 64.25 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.512 -0.475 . . . . 74.41 111.221 -177.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.745 HG23 ' HB1' ' A' ' 23' ' ' ALA . 8.0 p -74.01 -29.02 24.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.132 0.492 . . . . 71.12 110.057 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -64.18 -49.32 72.53 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.778 -0.646 . . . . 71.43 109.418 174.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 44.2 ttm -56.05 -42.38 76.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.931 -1.031 . . . . 73.4 110.349 177.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . 0.491 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 71.3 mmtt -54.74 -53.55 53.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 71.43 111.394 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.03 -45.16 74.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.115 -0.493 . . . . 75.53 111.542 -176.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -71.53 -35.38 70.66 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.51 0.559 . . . . 74.2 112.51 -173.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 68.9 p -73.09 -29.96 63.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.933 0.397 . . . . 70.34 110.481 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -74.23 -19.62 60.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 74.42 110.961 177.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 84.7 mt -93.76 -17.84 22.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.574 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 98.91 25.25 9.83 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.186 -1.007 . . . . 62.02 113.316 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 48.7 mm . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 117.21 0.505 . . . . 63.41 111.001 -179.764 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 120.966 0.413 . . . . 74.53 110.083 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -106.53 6.8 30.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.707 -0.679 . . . . 73.22 110.047 -178.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.5 t -109.38 128.26 54.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.645 -0.707 . . . . 72.14 110.756 -176.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.428 ' H ' ' HB ' ' A' ' 70' ' ' VAL . 24.9 mm-40 54.91 83.01 0.09 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.946 -0.57 . . . . 63.41 111.508 177.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.743 ' HB2' HG22 ' A' ' 72' ' ' ILE . 65.5 m-85 -79.89 128.85 33.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.034 0.445 . . . . 74.04 111.101 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -88.26 108.77 19.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.146 0.498 . . . . 73.33 110.469 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.535 ' O ' ' HB3' ' A' ' 73' ' ' ARG . 43.8 t -129.42 112.59 25.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.569 -0.741 . . . . 74.4 109.343 178.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -121.12 171.57 8.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.265 0.555 . . . . 72.41 111.675 -176.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.2 t -155.25 141.78 18.76 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.919 -1.037 . . . . 73.21 108.504 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -77.68 154.4 32.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.909 0.385 . . . . 73.15 110.812 -175.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.7 16.19 5.63 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.484 -0.865 . . . . 61.22 112.918 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.9 p -92.75 118.49 31.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.278 0.561 . . . . 51.43 110.385 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -108.53 142.97 38.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.926 -0.579 . . . . 71.23 109.732 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.469 HG23 ' ND2' ' A' ' 17' ' ' ASN . 11.4 p -134.23 139.88 47.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.422 -0.354 . . . . 64.55 110.116 -176.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . 0.469 ' ND2' HG23 ' A' ' 16' ' ' VAL . 48.9 m-80 58.96 26.95 15.64 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.92 0.39 . . . . 65.31 110.912 -177.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.24 13.59 70.52 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.848 -0.691 . . . . 42.35 112.349 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.475 ' HB3' HD22 ' A' ' 135' ' ' LEU . 54.8 mt-30 -105.79 139.35 40.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 75.42 110.562 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -143.22 157.42 44.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.972 -0.558 . . . . 73.44 109.849 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.58 169.36 19.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.103 -0.499 . . . . 64.15 109.784 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 65.1 p-90 -95.75 131.04 42.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.504 -0.554 . . . . 74.43 109.504 177.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . 0.475 ' HB3' HG22 ' A' ' 127' ' ' VAL . . . -137.61 136.79 37.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.021 -0.536 . . . . 64.5 110.627 -176.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -135.25 138.68 43.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.097 0.475 . . . . 74.31 110.935 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.71 115.69 11.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.595 -0.73 . . . . 61.21 110.087 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . 0.58 ' HB2' ' HB2' ' A' ' 34' ' ' TYR . 90.4 m-85 -85.16 109.29 18.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.912 -0.585 . . . . 73.25 110.064 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 p -108.39 122.91 63.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.567 -0.742 . . . . 63.12 111.597 -175.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -127.59 135.19 49.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.504 -0.771 . . . . 54.23 109.235 177.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 66.89 14.8 9.97 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.504 0.502 . . . . 73.43 110.556 -179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.85 0.08 86.05 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.692 -0.766 . . . . 55.3 112.15 -176.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.743 ' HE3' ' HA ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -109.76 142.34 41.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 75.35 110.554 179.198 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.4 t -89.27 120.16 37.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.286 -0.415 . . . . 74.45 109.951 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -103.98 -33.97 8.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.85 0.357 . . . . 72.13 111.243 -177.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.58 ' HB2' ' HB2' ' A' ' 26' ' ' PHE . 98.0 m-85 -122.64 140.98 52.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.869 -0.419 . . . . 71.11 109.869 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -149.73 133.78 17.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.199 -0.455 . . . . 72.34 110.552 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -164.19 160.21 21.04 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.009 0.433 . . . . 74.43 110.832 174.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -169.6 140.23 2.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.531 -0.759 . . . . 73.44 109.631 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -159.15 176.38 12.31 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.488 -0.56 . . . . 72.12 109.488 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 t -120.69 154.28 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.683 0.278 . . . . 74.44 110.556 -175.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.92 138.82 10.39 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.959 -0.639 . . . . 60.02 113.063 176.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -133.36 103.14 5.82 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.824 -0.435 . . . . 75.43 109.824 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -119.98 159.58 46.4 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.372 -0.377 . . . . 74.23 110.176 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.91 -34.22 96.67 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.545 2.163 . . . . 75.43 112.001 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.57 -12.54 59.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 62.12 111.076 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.11 5.59 46.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 44.1 110.983 -177.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.13 -28.64 69.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.266 0.555 . . . . 75.23 110.29 176.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.6 m -93.64 -45.48 7.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.672 -0.694 . . . . 74.11 109.74 174.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 54.1 tpp 71.72 -61.06 0.5 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.017 -0.992 . . . . 72.13 111.84 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -178.44 -162.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.168 -0.679 . . . . 74.53 109.168 -173.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -56.5 -22.98 36.35 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.864 0.364 . . . . 75.04 110.862 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 55' ' ' ILE . 31.8 t -51.21 -34.56 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 115.649 -0.705 . . . . 74.13 111.965 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.13 78.52 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.759 0.314 . . . . 72.24 111.199 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.58 -34.68 56.62 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.553 -0.832 . . . . 63.32 111.676 177.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -68.97 -42.97 75.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.645 0.26 . . . . 61.44 110.923 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 51' ' ' VAL . 29.3 pt -69.73 -31.68 49.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 72.44 110.793 178.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.16 -36.42 83.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 73.53 110.645 175.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.403 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . . . -66.22 -36.85 84.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.136 0.493 . . . . 70.53 110.649 176.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.17 -26.86 62.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.785 -0.643 . . . . 73.5 110.435 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.6 tp -64.37 -34.08 77.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.83 -0.623 . . . . 70.04 110.306 178.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.403 ' CD2' ' HA ' ' A' ' 57' ' ' ALA . 22.8 m-85 -62.95 -33.23 74.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 65.31 110.333 177.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.4 -38.77 78.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 63.03 110.319 178.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.34 -38.67 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.354 0.597 . . . . 75.04 110.072 176.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -63.57 -36.34 83.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.429 -0.805 . . . . 74.13 110.114 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -75.16 -39.72 60.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 75.43 111.028 176.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.445 ' HB2' HG21 ' A' ' 70' ' ' VAL . . . -54.4 -35.66 63.11 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.817 0.673 . . . . 74.41 112.817 -173.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.891 ' HB2' HD13 ' A' ' 109' ' ' ILE . 12.6 t -61.46 -29.55 70.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.082 0.468 . . . . 64.11 110.885 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -82.42 -23.27 34.95 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.093 -0.503 . . . . 63.21 110.605 -177.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.6 mp -87.13 -25.25 24.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.902 -0.59 . . . . 73.1 110.257 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.34 21.87 39.65 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.909 -0.662 . . . . 60.43 111.91 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.445 HG21 ' HB2' ' A' ' 65' ' ' ALA . 35.3 m -108.33 153.75 9.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 110.184 -0.302 . . . . 73.42 110.184 -179.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.536 ' HD2' ' N ' ' A' ' 71' ' ' LYS . 8.7 mptt -117.05 176.24 5.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.479 0.657 . . . . 72.44 111.072 -175.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.743 HG22 ' HB2' ' A' ' 7' ' ' TYR . 39.1 pt -124.06 161.13 27.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.348 -0.842 . . . . 62.33 109.007 173.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.535 ' HB3' ' O ' ' A' ' 9' ' ' VAL . 1.1 tmm_? -76.39 102.59 6.01 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.472 -0.936 . . . . 75.43 108.472 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . 0.819 HD12 ' HB2' ' A' ' 110' ' ' TYR . 6.0 tp . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 121.469 0.652 . . . . 72.33 112.271 -172.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 61.2 mmt-85 . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.128 -0.693 . . . . 72.23 109.128 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 162.13 -46.59 0.35 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.882 -0.675 . . . . 70.44 111.502 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.891 HD13 ' HB2' ' A' ' 66' ' ' SER . 2.7 mp -71.34 -33.74 51.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.452 -0.944 . . . . 72.43 108.452 173.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.819 ' HB2' HD12 ' A' ' 74' ' ' ILE . 12.9 p90 -149.46 146.04 27.22 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 114.659 -1.155 . . . . 73.42 109.438 177.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.6 p -161.23 130.0 4.53 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.971 -0.751 . . . . 51.54 108.971 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -112.47 137.64 50.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.465 0.65 . . . . 70.22 111.992 -171.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -129.7 155.59 45.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.813 -1.085 . . . . 72.52 109.063 175.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -70.52 90.51 0.74 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.301 0.572 . . . . 72.22 109.513 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 29.1 m -118.77 161.24 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.612 -0.722 . . . . 73.41 110.469 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.625 ' H ' ' HD2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -75.98 157.36 33.19 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 116.112 -0.495 . . . . 75.53 110.174 178.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.37 108.48 4.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.968 -0.56 . . . . 74.42 110.956 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -130.58 14.28 5.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.283 0.563 . . . . 75.01 110.195 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.2 p -106.13 22.92 14.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.512 -0.767 . . . . 51.01 110.463 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -77.59 57.95 3.79 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.968 -0.56 . . . . 65.42 112.65 -177.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -71.8 167.13 20.6 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 122.743 0.417 . . . . 74.13 110.409 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -61.42 -19.44 61.95 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.868 -0.605 . . . . 65.01 112.053 -176.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -71.15 -28.25 64.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.516 -0.311 . . . . 73.22 111.761 -177.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -66.12 -29.13 69.38 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.635 0.255 . . . . 72.32 111.357 -175.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.78 -26.05 66.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 60.43 110.903 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -72.17 -48.7 41.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.041 -0.527 . . . . 73.23 110.785 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.475 HG22 ' HB3' ' A' ' 23' ' ' ALA . 10.9 p -76.78 -21.44 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 121.163 0.506 . . . . 52.14 110.092 -179.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -54.35 -40.45 68.1 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.439 -0.8 . . . . 52.41 110.902 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 52.6 ttp -56.74 -44.87 82.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.874 -0.603 . . . . 73.14 111.053 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -70.86 -34.99 72.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.405 -176.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.38 -47.36 56.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.078 -0.51 . . . . 74.33 111.378 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . 0.604 ' HD3' HD13 ' A' ' 135' ' ' LEU . 25.8 mmtp -67.6 -29.39 68.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.391 -0.368 . . . . 74.43 111.425 -176.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 52.4 m -64.11 -33.88 76.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.88 0.371 . . . . 64.24 110.691 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.12 -15.36 59.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.127 0.489 . . . . 70.12 111.058 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 0.604 HD13 ' HD3' ' A' ' 132' ' ' LYS . 96.5 mt -89.01 -10.96 45.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.181 0.515 . . . . 73.53 110.129 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 101.08 21.15 12.18 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.497 -0.858 . . . . 75.42 112.427 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . 0.463 HD13 ' HB2' ' A' ' 135' ' ' LEU . 1.9 mp . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 109.482 -0.562 . . . . 62.44 109.482 176.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 . . . . . 0 N--CA 1.466 0.335 0 CA-C-O 121.002 0.43 . . . . 71.04 111.918 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -115.34 4.63 14.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.447 0.641 . . . . 63.25 109.991 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.9 p -125.38 96.22 4.74 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.717 -0.674 . . . . 73.45 111.322 -177.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . 0.459 ' H ' HG11 ' A' ' 70' ' ' VAL . 39.0 tt0 68.51 124.17 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.908 0.755 . . . . 62.1 112.127 176.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.602 ' HB2' HG22 ' A' ' 72' ' ' ILE . 97.5 m-85 -94.11 129.5 40.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.953 -0.567 . . . . 75.22 109.989 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -94.1 126.43 39.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.123 0.487 . . . . 64.22 110.11 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.562 ' HB ' ' O ' ' A' ' 73' ' ' ARG . 45.5 t -130.38 134.8 61.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.648 -0.706 . . . . 75.1 109.228 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.511 ' CZ ' ' HB1' ' A' ' 25' ' ' ALA . 53.9 p90 -122.28 152.94 39.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.018 0.437 . . . . 73.31 110.726 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.0 t -160.41 179.57 8.52 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.432 -0.804 . . . . 51.52 109.126 -176.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 t70 67.8 154.53 0.1 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.907 0.754 . . . . 74.23 110.879 -174.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.55 -74.22 0.07 OUTLIER Glycine 0 N--CA 1.442 -0.958 0 C-N-CA 120.184 -1.007 . . . . 72.21 112.627 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 t -129.49 118.0 21.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.264 0.554 . . . . 62.12 112.366 -172.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -122.61 106.59 11.11 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.321 -1.362 . . . . 71.55 107.321 167.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.8 p -141.56 139.85 31.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.822 0.344 . . . . 74.53 111.265 -173.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.2 m120 61.92 28.46 17.34 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.696 -0.684 . . . . 72.14 111.866 174.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.88 7.92 86.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.616 -0.802 . . . . 37.78 112.562 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 1.031 ' HB3' ' HG ' ' A' ' 135' ' ' LEU . 77.1 mm-40 -93.98 132.78 38.11 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.711 -0.477 . . . . 74.52 109.711 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -147.4 154.47 40.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.888 0.375 . . . . 75.11 110.376 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 38' ' ' ASP . . . -155.4 169.47 24.15 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.794 -0.639 . . . . 51.51 109.742 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TRP . . . . . 0.721 ' CD1' ' HB3' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -94.01 130.34 40.17 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.643 -1.243 . . . . 64.1 107.643 177.542 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.23 133.75 30.11 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 120.203 -0.599 . . . . 71.42 110.588 177.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -150.06 147.86 28.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.005 -0.543 . . . . 74.13 109.744 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ALA . . . . . 0.511 ' HB1' ' CZ ' ' A' ' 10' ' ' TYR . . . -148.45 124.09 10.46 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.135 -0.484 . . . . 72.01 110.118 174.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -90.97 112.62 24.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.614 -0.721 . . . . 71.11 109.421 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.03 124.83 59.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.57 0.7 . . . . 62.35 111.934 -172.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.619 ' HZ3' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -170.19 156.4 5.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.976 -1.011 . . . . 72.13 108.498 177.743 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 77.33 17.56 1.5 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.56 0.744 . . . . 73.24 109.975 -176.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.87 2.91 89.05 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.891 -0.595 . . . . 73.14 112.471 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.517 ' HZ3' ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -145.67 179.89 7.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.712 0.291 . . . . 70.41 110.655 -177.517 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.534 HG12 ' HB2' ' A' ' 35' ' ' GLU . 53.3 t -79.34 115.71 22.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.779 -0.452 . . . . 61.11 109.779 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.517 ' HA ' ' HZ3' ' A' ' 31' ' ' LYS . 10.1 t60 -79.58 -33.71 41.45 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.766 -0.457 . . . . 74.32 109.766 -177.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -156.77 144.47 19.2 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.963 -0.562 . . . . 73.51 110.814 174.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.534 ' HB2' HG12 ' A' ' 32' ' ' VAL . 17.3 tt0 -150.18 132.88 15.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.647 -0.706 . . . . 51.43 110.421 -175.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -165.83 163.91 18.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.803 -0.443 . . . . 71.42 109.803 174.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.75 125.34 6.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.867 -0.151 . . . . 75.44 111.403 -176.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.721 ' HB3' ' CD1' ' A' ' 22' ' ' TRP . 40.7 t0 -90.26 163.93 14.58 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.994 -0.743 . . . . 71.41 108.994 174.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.738 HG22 ' HG3' ' A' ' 41' ' ' LYS . 8.1 m -92.04 152.36 3.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 110.251 -0.277 . . . . 70.32 110.251 177.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.5 75.93 0.82 Allowed Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 121.064 -0.589 . . . . 73.45 113.334 -174.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.738 ' HG3' HG22 ' A' ' 39' ' ' VAL . 13.8 mtpp -124.25 -169.98 2.06 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.303 -0.999 . . . . 72.24 108.303 176.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -76.81 143.72 71.64 Favored Pre-proline 0 C--N 1.317 -0.812 0 C-N-CA 120.887 -0.325 . . . . 71.51 110.16 176.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.35 -22.63 75.09 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.182 2.588 . . . . 74.31 113.1 -175.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.4 -18.44 58.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.445 -0.343 . . . . 65.33 111.029 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.09 -69.31 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.087 0.47 . . . . 71.24 111.498 -177.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.66 -44.06 14.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.847 -0.615 . . . . 71.34 111.95 -173.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.63 14.04 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.499 0.666 . . . . 74.23 111.634 -174.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 54.5 ttm -99.17 100.66 11.8 Favored 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 107.265 -1.383 . . . . 62.23 107.265 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.653 ' HG3' ' H ' ' A' ' 50' ' ' ASN . 8.6 tpp180 78.64 -170.07 0.05 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 113.816 -1.538 . . . . 74.02 108.769 -174.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.653 ' H ' ' HG3' ' A' ' 49' ' ' ARG . 76.7 m-20 71.69 -85.3 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 122.818 0.447 . . . . 74.34 110.997 178.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' VAL . . . . . 0.628 HG21 ' HB2' ' A' ' 38' ' ' ASP . 19.7 t -64.22 -35.92 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.03 111.142 -174.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.42 -27.29 64.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.808 -0.633 . . . . 72.11 111.868 -176.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.34 -43.79 36.83 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.673 -0.775 . . . . 62.12 112.27 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.31 -29.4 67.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.832 0.349 . . . . 73.11 111.449 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 51' ' ' VAL . 47.0 mm -71.42 -29.52 35.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.46 -0.337 . . . . 75.23 111.033 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.37 -36.47 63.9 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.608 0.596 . . . . 73.54 112.608 -174.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.11 -36.73 84.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.928 0.394 . . . . 75.51 111.167 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.84 -25.78 59.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.107 -0.497 . . . . 73.24 110.461 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.5 HD22 ' HE3' ' A' ' 63' ' ' LYS . 7.3 tt -63.26 -35.43 80.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.984 -0.553 . . . . 74.43 110.373 178.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -67.33 -37.44 83.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.251 -0.432 . . . . 74.21 110.336 176.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.55 97.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.508 . . . . 74.22 110.411 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.472 HG12 ' HB ' ' A' ' 109' ' ' ILE . 98.2 t -62.44 -39.29 83.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 115.901 -0.59 . . . . 70.22 110.422 176.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.5 ' HE3' HD22 ' A' ' 59' ' ' LEU . 88.5 mttt -59.54 -46.45 88.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 74.53 111.112 177.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' O ' HD12 ' A' ' 68' ' ' LEU . 48.2 mtpt -68.55 -28.71 67.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.555 -0.293 . . . . 72.42 111.228 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . 0.428 ' HB3' HG21 ' A' ' 109' ' ' ILE . . . -61.55 -28.72 69.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.454 -0.339 . . . . 75.22 111.14 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.618 ' HA ' HD11 ' A' ' 109' ' ' ILE . 23.0 t -66.15 -39.64 89.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.008 0.432 . . . . 74.34 110.037 178.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -70.51 -41.66 72.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.972 -0.558 . . . . 73.13 109.978 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.416 HD12 ' O ' ' A' ' 64' ' ' LYS . 8.1 mp -68.67 -23.27 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.416 -0.811 . . . . 64.34 110.913 179.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.92 34.75 29.7 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.032 -0.604 . . . . 62.03 112.554 176.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.459 HG11 ' H ' ' A' ' 6' ' ' GLU . 27.7 m -123.62 170.64 13.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.812 0.339 . . . . 60.43 110.862 -178.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -115.58 163.35 15.9 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.565 -0.531 . . . . 75.32 109.565 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.602 HG22 ' HB2' ' A' ' 7' ' ' TYR . 2.6 pp -108.25 158.41 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.752 -0.379 . . . . 65.35 110.347 174.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.562 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 97.3 mtt180 -91.99 108.82 20.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.313 0.577 . . . . 72.13 111.121 -178.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.5 tt . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.321 -0.854 . . . . 73.22 110.636 -176.617 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.502 ' HA ' ' CE1' ' A' ' 110' ' ' TYR . 4.1 tmt_? . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.977 0.417 . . . . 64.43 110.352 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 168.41 -52.63 0.22 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.957 -0.639 . . . . 74.42 111.611 -177.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ILE . . . . . 0.618 HD11 ' HA ' ' A' ' 66' ' ' SER . 39.9 mm -81.92 -36.63 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.065 0.46 . . . . 41.12 110.108 176.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' TYR . . . . . 0.502 ' CE1' ' HA ' ' A' ' 107' ' ' ARG . 28.8 p90 -97.84 143.49 28.4 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.041 -0.726 . . . . 74.13 109.041 171.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.5 p -173.68 130.06 0.42 Allowed 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.974 -0.75 . . . . 70.22 108.974 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -101.74 137.55 39.9 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.265 0.555 . . . . 73.45 111.09 -173.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -131.66 149.96 52.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.099 -0.955 . . . . 71.04 108.983 177.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -86.94 79.07 8.87 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 121.628 0.728 . . . . 62.04 109.996 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 35.6 m -126.66 163.05 29.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 114.685 -1.143 . . . . 73.25 109.158 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LYS . . . . . 0.677 ' O ' ' HD3' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -70.44 130.04 40.87 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.459 -0.571 . . . . 71.54 109.459 175.724 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 177.71 75.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 71.2 111.422 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -144.99 21.9 1.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.358 0.599 . . . . 72.32 109.953 171.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.1 m -104.82 35.2 2.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.559 -0.746 . . . . 64.32 110.35 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -78.06 -135.25 0.87 Allowed Glycine 0 CA--C 1.519 0.343 0 C-N-CA 121.094 -0.574 . . . . 62.11 113.692 -174.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -86.45 162.6 18.03 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.202 -0.296 . . . . 74.44 110.202 -175.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -74.99 5.0 5.64 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.925 0.393 . . . . 74.52 111.427 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 10' ' ' TYR . 40.4 m-85 -60.69 -23.5 64.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.972 -0.558 . . . . 73.02 110.62 172.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASN . . . . . 0.491 ' HA ' HG13 ' A' ' 127' ' ' VAL . 31.2 p-10 -61.14 -28.57 69.21 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.971 0.415 . . . . 64.24 110.417 176.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . 0.476 ' O ' ' HB3' ' A' ' 128' ' ' ASP . 21.7 t70 -75.97 -33.29 59.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.566 0.698 . . . . 71.43 110.305 174.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' TYR . . . . . 0.451 ' HA ' ' HE2' ' A' ' 129' ' ' MET . 44.1 t80 -65.03 -41.92 94.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.201 -0.909 . . . . 71.42 110.443 177.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' VAL . . . . . 0.491 HG13 ' HA ' ' A' ' 124' ' ' ASN . 12.4 p -77.22 -20.26 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 120.902 0.382 . . . . 73.55 110.578 177.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' A' ' 125' ' ' ASP . 5.6 t70 -60.66 -43.75 97.25 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.053 0.454 . . . . 75.31 110.325 174.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' MET . . . . . 0.451 ' HE2' ' HA ' ' A' ' 126' ' ' TYR . 71.7 mtm -66.86 -32.94 74.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.816 -0.629 . . . . 73.55 110.422 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -60.68 -48.58 81.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 64.14 110.451 174.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.26 -39.94 80.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.998 -0.547 . . . . 73.14 111.119 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -55.41 -50.23 70.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.415 0.626 . . . . 74.24 110.561 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.9 t -74.73 -32.49 62.13 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.255 -0.884 . . . . 72.23 110.96 -174.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.7 -31.34 72.22 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.643 0.608 . . . . 71.5 112.643 -174.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' LEU . . . . . 1.031 ' HG ' ' HB3' ' A' ' 19' ' ' GLN . 3.7 mm? -83.83 -8.31 59.25 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.061 -0.255 . . . . 73.35 111.072 -175.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 116.36 4.8 17.52 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.036 -1.078 . . . . 52.33 113.152 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 48.8 mt . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 109.418 -0.586 . . . . 74.52 109.418 176.837 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.474 ' HB3' ' OD1' ' A' ' 29' ' ' ASP . 1.3 mpt? . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 121.127 0.489 . . . . 71.44 110.101 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -127.9 156.84 41.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.637 -0.71 . . . . 65.21 109.536 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -84.29 23.86 1.04 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.959 0.409 . . . . 72.44 111.239 -176.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -74.26 -23.58 59.15 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.496 0.665 . . . . 74.33 110.093 172.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.1 p -94.79 93.74 7.67 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.382 -0.826 . . . . 63.35 111.202 -176.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 57.21 173.88 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 O-C-N 124.2 0.938 . . . . 51.42 113.008 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -137.16 143.11 42.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.929 -1.032 . . . . 73.54 108.474 172.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.455 ' HB2' HG11 ' A' ' 27' ' ' VAL . 18.0 m-20 -113.64 138.86 49.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.849 0.357 . . . . 72.32 110.316 -177.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.7 t -128.82 111.02 22.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.594 -0.521 . . . . 74.42 109.594 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.748 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 47.9 m-85 -86.26 126.85 34.58 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.799 -0.445 . . . . 75.32 109.799 177.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.484 HG23 ' HB2' ' A' ' 76' ' ' HIS . 14.9 t -152.1 12.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.303 -0.408 . . . . 63.44 111.596 -175.757 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.408 ' HB3' HD22 ' A' ' 124' ' ' ASN . 36.2 t70 -85.96 79.03 9.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.431 0.634 . . . . 75.35 110.788 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.66 108.47 3.67 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.088 -1.205 . . . . 73.33 110.088 171.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.4 p -58.01 120.75 9.1 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.094 0.473 . . . . 73.14 111.445 -176.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -69.13 148.5 49.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.611 -0.722 . . . . 72.3 110.575 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.534 HG23 ' ND2' ' A' ' 17' ' ' ASN . 13.6 p -128.45 130.55 69.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.148 -0.478 . . . . 73.43 110.255 -177.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.534 ' ND2' HG23 ' A' ' 16' ' ' VAL . 62.0 m-80 60.52 28.7 18.38 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.731 -0.668 . . . . 63.21 111.051 -177.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.54 -12.13 35.44 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 121.015 -0.612 . . . . 74.2 112.942 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -74.14 127.03 31.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.888 0.375 . . . . 62.12 110.928 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -98.35 134.44 41.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.826 -0.624 . . . . 73.32 110.552 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.35 150.23 47.38 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.449 -0.945 . . . . 61.25 108.449 172.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -96.45 129.97 43.7 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.042 -0.663 . . . . 74.4 110.296 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.761 ' HB3' HG21 ' A' ' 127' ' ' VAL . . . -127.73 135.56 50.33 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.314 -0.857 . . . . 71.23 108.72 177.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -141.98 137.6 31.32 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.196 0.522 . . . . 75.21 111.239 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.748 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . -131.79 112.5 12.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.083 -0.962 . . . . 73.23 109.673 176.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -84.54 102.96 13.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.307 0.575 . . . . 73.42 109.928 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.557 ' HB ' HG22 ' A' ' 32' ' ' VAL . 2.5 p -111.54 130.84 64.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.362 -0.835 . . . . 55.35 111.242 -176.305 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' O ' ' HB3' ' A' ' 29' ' ' ASP . 21.9 mtpp -130.95 135.41 47.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.273 -0.876 . . . . 74.25 108.888 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.474 ' OD1' ' HB3' ' A' ' 1' ' ' MET . 29.9 t70 69.16 9.22 7.26 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.853 0.835 . . . . 73.2 110.623 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.12 -1.22 79.84 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.708 -0.758 . . . . 72.3 111.524 -175.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -103.74 127.16 51.24 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.577 -0.527 . . . . 74.43 109.577 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.557 HG22 ' HB ' ' A' ' 27' ' ' VAL . 71.3 t -81.38 118.02 28.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.471 -0.566 . . . . 64.45 109.471 178.586 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -71.73 -40.45 69.41 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.827 -0.434 . . . . 71.44 109.827 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -171.96 160.6 5.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.698 -0.683 . . . . 74.52 109.167 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.74 160.29 40.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.373 -0.376 . . . . 73.44 110.407 175.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -162.47 166.92 24.32 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.935 -0.765 . . . . 72.32 108.935 177.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -165.97 139.64 4.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.679 -0.237 . . . . 54.51 110.77 -175.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.585 ' HA ' ' CB ' ' A' ' 134' ' ' ALA . 18.8 t0 -162.24 173.61 13.99 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.528 -0.545 . . . . 72.32 109.528 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.9 m -95.13 156.58 3.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.728 0.299 . . . . 75.41 110.905 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.29 92.49 0.44 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.674 -0.774 . . . . 73.02 112.217 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -100.58 89.29 3.87 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.858 -0.423 . . . . 75.41 109.858 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -137.29 150.66 69.6 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.922 -0.581 . . . . 72.31 109.928 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.6 -36.59 92.17 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.814 2.342 . . . . 75.21 112.74 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.78 -6.03 46.68 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.135 0.42 . . . . 74.33 112.135 -177.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.549 ' HB3' HH21 ' A' ' 49' ' ' ARG . . . -73.62 -6.93 49.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.725 0.298 . . . . 71.42 111.441 -178.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.556 ' HA ' ' O ' ' A' ' 49' ' ' ARG . . . -63.25 -21.23 66.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 71.31 111.037 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.9 m -58.63 -29.89 66.87 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.212 0.53 . . . . 73.03 110.961 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.4 mtm -107.94 -46.35 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 73.34 110.356 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.556 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 26.4 mtm-85 -111.23 105.89 14.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.698 -0.683 . . . . 74.45 110.138 -176.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -82.01 10.0 7.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.977 -0.556 . . . . 71.1 111.18 -173.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.5 t -53.87 -29.44 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 115.607 -0.724 . . . . 74.34 111.106 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.37 -23.57 16.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.614 -0.721 . . . . 74.33 111.756 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.51 -50.13 64.41 Favored Glycine 0 C--N 1.334 0.427 0 C-N-CA 120.94 -0.648 . . . . 74.44 111.935 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -66.03 -38.42 88.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.917 0.389 . . . . 64.55 110.083 177.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.31 -30.85 51.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.851 -0.613 . . . . 72.11 110.698 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.44 -39.53 70.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.215 -0.448 . . . . 74.03 110.64 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.432 ' HA ' ' HD2' ' A' ' 60' ' ' TYR . . . -72.15 -28.94 63.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.14 0.495 . . . . 70.14 110.488 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.456 ' O ' HG22 ' A' ' 62' ' ' VAL . . . -66.23 -24.9 66.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.839 -0.619 . . . . 42.04 110.632 175.253 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.25 -39.27 93.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.346 -0.613 . . . . 72.15 109.346 176.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.432 ' HD2' ' HA ' ' A' ' 57' ' ' ALA . 97.4 m-85 -68.57 -33.48 74.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.853 -0.612 . . . . 72.53 110.244 176.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.53 -39.1 91.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.322 176.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.456 HG22 ' O ' ' A' ' 58' ' ' ALA . 92.7 t -62.99 -43.91 99.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.985 -0.552 . . . . 71.21 110.259 175.223 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -66.47 -39.21 88.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.079 -0.509 . . . . 64.44 110.237 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -66.26 -35.81 81.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.721 -0.672 . . . . 73.44 111.047 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.52 -32.98 67.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 63.11 111.344 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -38.86 72.16 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.095 -0.502 . . . . 63.31 110.61 177.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -71.15 -33.11 69.73 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.482 -0.781 . . . . 70.43 111.053 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.8 mp -83.11 -24.71 32.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.202 -0.454 . . . . 72.04 111.004 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.87 14.31 46.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.829 -0.7 . . . . 74.3 112.099 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.58 172.0 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 110.168 -0.308 . . . . 75.43 110.168 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 109' ' ' ILE . 31.5 pttt -153.65 178.18 10.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.531 0.205 . . . . 75.23 110.729 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.9 pp -124.73 166.64 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.304 -0.407 . . . . 72.34 110.172 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -135.36 141.75 45.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.631 -0.258 . . . . 74.14 110.307 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.485 HG23 ' HD1' ' A' ' 112' ' ' PHE . 20.8 tt -105.26 139.52 26.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.4 -0.593 . . . . 63.33 109.4 174.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.2 mp -119.96 24.33 10.56 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.894 0.331 . . . . 75.31 111.894 -172.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.484 ' HB2' HG23 ' A' ' 11' ' ' THR . 1.4 t-80 -142.22 -80.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 119.759 -0.776 . . . . 75.32 112.025 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -93.57 122.88 36.46 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.231 0.539 . . . . 64.1 111.596 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -137.96 1.42 2.27 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.245 -0.889 . . . . 72.31 108.631 174.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.61 -48.8 5.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.059 -0.973 . . . . 70.12 111.535 -174.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.66 -28.38 73.73 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.863 -0.684 . . . . 72.4 112.416 -175.185 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.478 ' HA ' ' CZ3' ' A' ' 84' ' ' TRP . 56.9 mt -65.3 -26.67 40.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.038 0.446 . . . . 75.25 111.176 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.647 ' HA ' ' HG ' ' A' ' 102' ' ' LEU . . . -75.02 -9.95 59.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.128 0.418 . . . . 63.0 112.128 -175.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -71.94 -47.03 55.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.837 0.351 . . . . 75.3 111.375 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.478 ' CZ3' ' HA ' ' A' ' 81' ' ' ILE . 5.4 m-90 -73.29 -18.06 61.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.443 -0.344 . . . . 75.14 111.816 -173.34 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.753 ' HB1' ' HB3' ' A' ' 102' ' ' LEU . . . -66.8 -21.29 66.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 71.25 111.396 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.2 t -119.58 27.45 8.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.117 0.484 . . . . 71.01 110.415 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -55.04 -72.6 0.53 Allowed Glycine 0 C--N 1.334 0.447 0 CA-C-N 115.502 -0.772 . . . . 64.1 112.874 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -96.08 -59.4 1.85 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.602 0.715 . . . . 74.32 110.322 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.416 ' CG ' ' N ' ' A' ' 90' ' ' LYS . 18.1 t90 -174.29 -164.61 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.331 -1.359 . . . . 75.15 107.331 -172.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.416 ' N ' ' CG ' ' A' ' 89' ' ' TRP . 0.4 OUTLIER -54.21 134.29 44.61 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.115 0.484 . . . . 73.34 111.486 -179.761 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.4 114.52 5.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.009 -0.996 . . . . 74.43 111.571 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 28.0 mttp -99.8 121.8 41.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.65 -0.704 . . . . 75.45 109.498 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 71.47 157.88 0.18 Allowed 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.481 0.488 . . . . 72.15 110.149 -179.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.494 ' HA ' ' HB2' ' A' ' 97' ' ' GLN . 40.0 mt-10 -59.47 -23.58 62.86 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.312 -0.243 . . . . 75.54 111.493 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.77 -54.86 40.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.782 0.325 . . . . 74.42 110.659 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.8 m -71.27 -29.09 64.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.865 0.364 . . . . 70.12 110.539 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.657 ' HG2' ' HG2' ' A' ' 103' ' ' MET . 41.3 mt-30 -63.87 -33.45 75.72 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.392 -0.367 . . . . 75.13 111.164 176.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.11 -34.83 71.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.352 . . . . 73.45 110.327 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -68.11 -39.08 82.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.689 -0.687 . . . . 74.31 110.256 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.697 ' HB3' ' HA ' ' A' ' 85' ' ' ALA . . . -69.89 -43.88 70.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 71.21 110.704 177.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 51.4 tptt 69.79 -54.02 0.61 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.368 -0.833 . . . . 75.44 111.91 177.122 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.753 ' HB3' ' HB1' ' A' ' 85' ' ' ALA . 2.4 tm? -64.38 -20.62 66.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.914 0.388 . . . . 72.44 110.187 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.657 ' HG2' ' HG2' ' A' ' 97' ' ' GLN . 14.3 tpt -54.87 -27.53 43.36 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.087 -0.506 . . . . 74.13 110.705 177.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -55.44 -17.7 5.6 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.591 0.757 . . . . 64.4 111.789 177.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.418 ' HB2' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -48.05 -40.03 21.8 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.172 0.804 . . . . 74.44 113.172 -176.495 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -71.09 -21.42 62.23 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.202 0.525 . . . . 74.52 110.37 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -79.89 118.28 21.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.661 -0.7 . . . . 74.03 109.725 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.07 19.09 2.29 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 121.358 -0.449 . . . . 65.21 114.045 -172.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.481 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 4.0 mp -97.07 -11.39 8.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.699 0.762 . . . . 65.24 109.37 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -126.13 144.28 50.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.549 -0.751 . . . . 74.12 109.336 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.5 p -169.05 171.39 8.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.945 -0.391 . . . . 72.24 109.945 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.485 ' HD1' HG23 ' A' ' 74' ' ' ILE . 78.2 t80 -122.0 135.22 54.83 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.507 -0.553 . . . . 75.1 109.507 176.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -128.8 124.54 35.68 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.36 -0.607 . . . . 73.01 109.36 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -107.88 110.8 22.66 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.267 0.556 . . . . 64.45 110.909 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.3 m -121.1 162.32 20.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.396 -0.82 . . . . 74.13 109.819 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -111.33 101.83 10.27 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.692 -0.484 . . . . 75.11 109.692 175.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -142.4 117.03 9.75 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.977 -0.556 . . . . 74.41 110.888 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -95.1 12.39 28.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.483 0.659 . . . . 74.41 109.682 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.1 m -87.99 36.53 0.77 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.084 -0.962 . . . . 52.22 110.321 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.29 119.05 11.62 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.593 -0.73 . . . . 65.02 113.112 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.543 HD22 ' HD2' ' A' ' 123' ' ' PHE . 49.7 t30 -54.38 145.78 17.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.782 -0.709 . . . . 64.12 110.107 175.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -53.61 -33.87 56.5 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 111.964 0.357 . . . . 73.12 111.964 -173.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.543 ' HD2' HD22 ' A' ' 121' ' ' ASN . 74.2 m-85 -63.49 -30.96 72.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.418 -0.356 . . . . 74.41 111.455 -178.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.408 HD22 ' HB3' ' A' ' 12' ' ' ASP . 9.0 t30 -77.86 -36.55 49.79 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.039 -0.356 . . . . 74.15 110.039 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.76 -33.67 74.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.292 0.567 . . . . 74.35 110.032 177.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -60.68 -46.77 89.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.137 -0.938 . . . . 72.11 110.715 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.761 HG21 ' HB3' ' A' ' 23' ' ' ALA . 9.9 p -78.25 -26.63 14.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.669 0.271 . . . . 70.32 110.849 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.443 ' O ' ' HD3' ' A' ' 132' ' ' LYS . 14.9 t70 -62.5 -49.45 75.29 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.754 0.311 . . . . 75.31 110.485 178.363 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 25.1 ptm -63.69 -31.64 72.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.393 -0.367 . . . . 74.53 110.294 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -63.51 -36.13 82.74 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.25 -0.432 . . . . 65.52 110.417 176.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -67.17 -38.54 85.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.166 -0.47 . . . . 72.15 110.703 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.443 ' HD3' ' O ' ' A' ' 128' ' ' ASP . 0.5 OUTLIER -62.78 -34.25 76.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.123 0.487 . . . . 74.04 110.512 177.855 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.6 t -60.25 -34.53 73.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.577 -0.738 . . . . 73.35 110.506 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.585 ' CB ' ' HA ' ' A' ' 38' ' ' ASP . . . -72.48 -25.69 61.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 74.21 111.681 -177.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -85.25 -9.69 57.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.095 0.474 . . . . 73.23 109.944 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 97.53 20.56 21.96 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.551 -0.833 . . . . 51.4 112.322 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.0 mp -86.89 111.56 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.4 0.619 . . . . 73.34 110.453 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -114.62 -176.03 2.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.066 -0.97 . . . . 74.01 108.771 171.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.47 138.03 58.38 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.889 -1.152 . . . . 74.11 107.889 168.311 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.67 -15.3 62.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.157 0.503 . . . . 74.04 111.449 -173.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -81.24 -3.84 53.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.766 -0.652 . . . . 71.11 110.681 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -125.92 151.22 47.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.255 -0.429 . . . . 74.34 110.173 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -141.63 150.95 42.64 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.859 -0.423 . . . . 61.05 109.859 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -139.32 100.58 4.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.077 0.465 . . . . 75.21 110.654 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -142.87 170.02 16.49 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.891 -0.595 . . . . 73.01 110.477 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -136.17 159.51 41.52 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.143 -0.688 . . . . 74.12 109.143 174.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.501 -0.761 . . . . 64.13 109.681 179.172 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.426 ' HB2' ' OD1' ' A' ' 3' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 109.852 -0.425 . . . . 62.54 109.852 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -127.26 9.94 6.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.145 -0.479 . . . . 74.24 110.258 -178.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.426 ' OD1' ' HB2' ' A' ' 1' ' ' MET . 10.3 p-10 -78.48 81.47 4.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.912 0.863 . . . . 74.14 111.205 -177.485 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.6 ptt180 -100.22 3.64 43.77 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.143 -1.058 . . . . 73.34 108.143 167.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.78 131.45 45.98 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 114.244 -1.344 . . . . 70.41 110.018 177.146 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.548 ' HG3' HH22 ' A' ' 73' ' ' ARG . 8.9 pt-20 -58.14 143.83 42.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.824 0.345 . . . . 74.25 110.772 -178.597 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.59 ' HB2' HG23 ' A' ' 72' ' ' ILE . 10.2 m-85 -72.75 131.59 42.54 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.702 0.63 . . . . 75.0 112.702 -167.487 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -113.45 130.56 56.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.11 -0.95 . . . . 63.22 109.562 176.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.6 t -121.36 111.73 32.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.515 -0.55 . . . . 75.33 109.515 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.419 ' HD1' HG13 ' A' ' 27' ' ' VAL . 76.0 m-85 -101.03 113.97 27.47 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.593 0.711 . . . . 72.33 110.001 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.543 HG23 ' HB2' ' A' ' 76' ' ' HIS . 1.6 t -141.71 94.44 2.68 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.862 -1.063 . . . . 71.54 110.041 -176.409 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.72 ' HB2' ' HB2' ' A' ' 124' ' ' ASN . 3.2 t0 -98.47 -166.62 1.39 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.702 -0.851 . . . . 63.44 108.702 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.97 67.09 2.11 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.755 -0.736 . . . . 61.5 111.788 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.497 ' HA ' ' CE1' ' A' ' 76' ' ' HIS . 45.9 m -77.66 -82.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.092 -0.336 . . . . 64.41 110.092 177.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -146.89 128.96 15.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.797 0.332 . . . . 75.4 110.364 174.042 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 p -114.55 125.22 71.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.943 -0.571 . . . . 74.13 109.99 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.7 m120 57.66 26.87 13.47 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.713 -0.676 . . . . 74.03 111.123 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.88 -25.63 26.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.151 -0.547 . . . . 70.24 112.639 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -76.97 125.42 29.28 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.988 -0.375 . . . . 72.43 109.988 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -107.7 149.22 28.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.86 0.362 . . . . 75.33 110.74 -177.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.567 ' HB3' HD21 ' A' ' 135' ' ' LEU . . . -145.6 169.41 18.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.893 -0.594 . . . . 73.31 109.858 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.626 ' CZ2' ' HB3' ' A' ' 38' ' ' ASP . 52.2 p-90 -122.07 129.57 52.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.242 0.544 . . . . 75.15 110.25 176.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.838 ' HB3' HG23 ' A' ' 127' ' ' VAL . . . -152.06 136.82 17.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.275 -0.875 . . . . 72.21 109.095 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -155.4 154.17 31.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.933 0.397 . . . . 75.44 111.231 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.95 122.63 23.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.51 -0.768 . . . . 70.02 109.876 174.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.66 ' HB2' ' HB2' ' A' ' 34' ' ' TYR . 36.0 m-85 -84.25 104.23 14.12 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.007 0.432 . . . . 72.52 110.117 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.444 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 3.8 p -118.0 127.93 75.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.553 -0.748 . . . . 74.03 111.153 -176.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -129.05 131.58 47.35 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.051 -0.722 . . . . 73.13 109.051 175.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 t70 66.24 13.07 8.99 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.565 0.698 . . . . 74.22 110.705 174.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.45 1.35 59.15 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.686 -0.688 . . . . 63.2 112.581 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' O ' ' HA ' ' A' ' 27' ' ' VAL . 12.3 mptt -109.48 143.08 39.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.095 0.474 . . . . 74.52 110.586 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.7 t -108.75 124.39 65.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.798 -0.637 . . . . 62.21 110.681 -176.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -111.8 -27.35 8.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.348 -0.387 . . . . 74.24 111.411 -177.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.66 ' HB2' ' HB2' ' A' ' 26' ' ' PHE . 94.0 m-85 -129.35 140.46 51.37 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.268 -0.27 . . . . 75.13 110.933 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -157.84 124.17 4.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.737 -0.665 . . . . 74.51 110.034 -178.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -162.68 147.87 12.13 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 110.286 -0.265 . . . . 64.24 110.286 176.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -143.07 136.28 28.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.423 -0.353 . . . . 75.02 110.534 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.626 ' HB3' ' CZ2' ' A' ' 22' ' ' TRP . 32.4 t70 -159.67 168.87 24.97 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.464 -0.569 . . . . 72.42 109.464 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 t -107.38 134.26 49.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.04 0.448 . . . . 74.22 111.375 -176.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.97 108.61 0.01 OUTLIER Glycine 0 CA--C 1.523 0.534 0 CA-C-N 115.294 -0.867 . . . . 73.12 114.034 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -108.53 80.43 1.34 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.662 0.744 . . . . 65.2 110.234 173.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -80.82 153.11 72.69 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.345 -0.843 . . . . 73.3 110.118 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.434 ' HG3' ' HG3' ' A' ' 92' ' ' LYS . 88.6 Cg_exo -46.54 -51.9 8.23 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.368 2.712 . . . . 64.23 113.654 -175.013 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.91 -53.72 29.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.704 -0.226 . . . . 73.24 111.143 -177.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.58 -50.17 72.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 55.01 112.207 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.32 -36.06 81.0 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.796 0.331 . . . . 72.42 111.552 -176.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -76.91 -41.37 43.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.929 0.395 . . . . 75.25 110.542 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 49.4 tpp -62.27 -44.1 97.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.031 -0.532 . . . . 74.15 110.55 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -75.96 -4.11 39.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.799 -0.637 . . . . 75.44 111.508 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.0 t30 70.06 0.66 3.19 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.21 -0.45 . . . . 71.44 112.04 173.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.2 t -56.01 -44.56 78.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.443 -0.344 . . . . 62.14 111.377 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.533 ' HA ' HD11 ' A' ' 55' ' ' ILE . . . -62.66 -16.74 58.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.935 -0.575 . . . . 73.14 112.115 -177.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.18 96.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.039 -0.6 . . . . 74.3 112.744 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.29 -48.61 77.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.972 0.415 . . . . 73.41 110.742 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.618 ' H ' HD12 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -69.47 -28.74 39.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 73.41 111.251 177.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.11 -41.5 97.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.993 0.425 . . . . 42.14 110.339 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.49 -35.52 77.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.26 0.552 . . . . 74.42 110.341 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.48 -22.2 66.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.523 -0.762 . . . . 54.3 111.383 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.3 tp -59.86 -35.45 74.82 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.102 0.477 . . . . 71.43 110.646 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -68.52 -31.32 70.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.067 -0.515 . . . . 75.05 110.724 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.85 -34.94 74.3 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.843 -0.428 . . . . 74.33 109.843 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.1 -39.67 86.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.919 -0.582 . . . . 51.41 110.162 174.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -61.42 -42.58 98.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 73.44 110.624 175.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -63.82 -37.79 88.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.31 -0.404 . . . . 72.32 110.754 175.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.511 ' HB2' HG21 ' A' ' 70' ' ' VAL . . . -65.05 -30.49 71.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.983 -0.553 . . . . 72.52 110.755 177.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.3 t -66.51 -41.88 88.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.219 -0.446 . . . . 63.3 109.81 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -71.68 -28.32 63.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.792 -0.64 . . . . 70.11 110.53 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.6 tp -81.67 -25.72 35.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.691 -0.686 . . . . 51.12 110.644 -178.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.66 34.86 12.57 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.845 -0.693 . . . . 63.04 112.441 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.511 HG21 ' HB2' ' A' ' 65' ' ' ALA . 22.3 m -122.75 -177.35 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 110.093 -0.336 . . . . 73.44 110.093 176.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -152.8 172.99 15.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.678 0.275 . . . . 72.34 110.795 -176.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.59 HG23 ' HB2' ' A' ' 7' ' ' TYR . 38.1 pt -124.59 151.27 29.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.169 -0.468 . . . . 61.42 110.215 177.365 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.548 HH22 ' HG3' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -106.09 118.67 37.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.605 -0.271 . . . . 73.44 110.925 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 68.4 mt -113.91 118.61 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.628 -0.508 . . . . 64.54 109.628 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.9 mt -111.69 13.95 21.17 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.928 0.344 . . . . 72.25 111.928 -173.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.543 ' HB2' HG23 ' A' ' 11' ' ' THR . 63.0 t-80 -84.99 126.52 33.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.286 -0.635 . . . . 73.03 109.286 178.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -64.1 123.48 19.17 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.207 0.527 . . . . 71.23 110.936 -178.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -158.41 19.47 0.23 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.892 -1.151 . . . . 72.5 107.892 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.19 -35.84 80.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 114.677 -1.147 . . . . 73.34 112.197 -171.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.468 ' O ' ' HD1' ' A' ' 83' ' ' PHE . . . -62.13 -42.89 99.74 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.869 -0.682 . . . . 38.81 112.805 -177.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.9 mm -76.37 -20.34 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.285 0.564 . . . . 74.11 111.242 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.27 -10.88 60.49 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.328 0.862 . . . . 72.2 113.328 -170.182 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.468 ' HD1' ' O ' ' A' ' 80' ' ' GLY . 12.8 p90 -69.28 -17.66 63.76 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.47 -0.492 . . . . 65.53 110.722 -177.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.608 ' HB3' ' HB2' ' A' ' 90' ' ' LYS . 80.4 m95 -67.31 -18.43 65.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.028 -0.533 . . . . 75.5 111.262 178.037 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.684 ' HB1' ' HB3' ' A' ' 103' ' ' MET . . . -90.28 -0.66 57.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 70.13 111.796 -176.316 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.472 ' HB ' ' HB2' ' A' ' 104' ' ' ASN . 12.5 t -141.42 0.49 1.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.656 0.265 . . . . 74.23 111.67 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.1 -103.5 0.93 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.445 -0.883 . . . . 62.34 111.876 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -97.95 -60.05 1.64 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.728 -0.471 . . . . 74.1 109.728 175.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.407 ' O ' ' HE3' ' A' ' 84' ' ' TRP . 19.4 p90 -175.12 153.65 1.65 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.031 -0.986 . . . . 72.22 108.91 177.607 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.608 ' HB2' ' HB3' ' A' ' 84' ' ' TRP . 34.8 ttmt -103.34 111.86 24.47 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.793 -0.363 . . . . 73.51 110.24 175.445 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -107.02 87.85 2.6 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.218 0.533 . . . . 72.44 109.787 173.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.434 ' HG3' ' HG3' ' A' ' 43' ' ' PRO . 53.5 tptt -86.88 -24.76 24.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.739 0.78 . . . . 74.43 109.214 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -147.73 -73.21 0.2 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.018 -0.992 . . . . 63.3 109.98 178.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -165.67 -57.82 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.016 0.436 . . . . 73.41 110.117 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -60.69 -29.79 69.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.532 -0.758 . . . . 74.15 111.105 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.498 ' HB ' ' O ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -56.74 -30.41 63.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.293 -0.867 . . . . 72.52 111.88 -176.912 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -42.0 70.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.01 -0.541 . . . . 75.25 111.545 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.26 -37.38 61.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.947 -0.57 . . . . 72.25 111.378 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -80.29 -49.18 11.91 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.277 0.473 . . . . 74.13 112.277 -175.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.806 ' HA ' ' HB2' ' A' ' 103' ' ' MET . . . -77.74 -17.68 57.32 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.77 0.656 . . . . 44.5 112.77 -168.513 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -60.7 -33.09 72.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.016 0.436 . . . . 73.35 110.931 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 92.1 mt -122.2 23.73 9.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.299 -0.409 . . . . 74.34 110.259 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.806 ' HB2' ' HA ' ' A' ' 100' ' ' ALA . 25.4 ttt -66.02 -38.29 88.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.473 . . . . 73.33 111.39 -174.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.57 ' O ' ' HG3' ' A' ' 107' ' ' ARG . 59.1 t30 -63.22 -34.26 77.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.982 0.42 . . . . 75.34 110.715 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.24 -32.77 69.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.365 178.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -78.69 -34.47 46.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.993 -0.548 . . . . 64.33 111.207 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.57 ' HG3' ' O ' ' A' ' 104' ' ' ASN . 2.9 ppt_? -67.72 159.36 30.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.061 0.458 . . . . 62.34 110.827 -178.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.87 -45.07 0.66 Allowed Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.472 -1.051 . . . . 74.11 110.472 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.631 HD11 ' H ' ' A' ' 109' ' ' ILE . 4.1 mp -75.01 -39.9 44.66 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 N-CA-C 108.418 -0.956 . . . . 73.21 108.418 172.2 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -110.35 144.82 38.51 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.392 -0.966 . . . . 75.24 108.392 170.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.9 t -170.15 160.41 7.98 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.369 -0.604 . . . . 75.43 109.369 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -111.53 142.83 43.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.979 -0.555 . . . . 72.13 109.97 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -136.35 116.56 13.5 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.596 -0.52 . . . . 73.05 109.596 174.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -85.83 86.15 7.37 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.471 0.653 . . . . 74.52 110.235 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.2 p -114.24 135.11 55.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.066 -0.97 . . . . 74.23 109.541 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -127.66 92.28 3.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.431 0.634 . . . . 74.31 110.488 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -121.35 179.49 4.41 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.025 -0.989 . . . . 75.23 108.692 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -86.85 27.33 1.01 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.46 0.648 . . . . 65.21 110.26 -178.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.0 t -91.14 29.32 1.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.462 -0.79 . . . . 72.11 110.416 -177.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -67.65 109.72 3.06 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 116.104 -0.498 . . . . 71.31 112.114 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -78.45 -179.15 6.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.29 0.567 . . . . 73.14 111.086 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.463 ' CD ' ' H ' ' A' ' 122' ' ' GLU . 0.5 OUTLIER -80.55 -30.84 37.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.449 -0.796 . . . . 73.22 111.188 -175.653 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -65.41 -46.4 80.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.157 -0.474 . . . . 73.44 111.344 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.72 ' HB2' ' HB2' ' A' ' 12' ' ' ASP . 5.3 p-10 -76.31 -32.68 58.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.528 -0.306 . . . . 72.12 110.985 -176.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.16 -43.6 97.82 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.204 0.526 . . . . 73.21 110.701 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.529 ' HA ' ' HE2' ' A' ' 129' ' ' MET . 83.4 t80 -62.07 -46.59 88.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.62 -0.718 . . . . 72.33 111.161 -178.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.838 HG23 ' HB3' ' A' ' 23' ' ' ALA . 5.5 p -77.16 -23.9 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.366 -0.379 . . . . 64.03 110.907 -177.339 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.575 ' HB2' ' HB3' ' A' ' 12' ' ' ASP . 11.5 t70 -65.3 -37.26 86.59 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.989 0.423 . . . . 73.41 110.278 176.282 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.529 ' HE2' ' HA ' ' A' ' 126' ' ' TYR . 67.1 mtm -63.23 -45.4 91.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 73.15 109.842 174.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -55.68 -49.94 71.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.409 -0.814 . . . . 73.23 111.325 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.552 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -66.87 -51.54 54.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.286 -0.415 . . . . 74.14 111.938 -176.066 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -66.97 -30.62 70.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.832 0.308 . . . . 73.14 111.832 -174.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.697 ' HA ' HG22 ' A' ' 137' ' ' ILE . 9.5 t -64.2 -30.94 71.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.059 0.457 . . . . 71.12 110.068 179.242 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -75.16 -7.21 53.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.975 -0.557 . . . . 74.43 111.35 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.567 HD21 ' HB3' ' A' ' 21' ' ' ALA . 3.3 mm? -96.45 -0.62 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.592 0.234 . . . . 74.35 110.745 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.24 25.0 35.01 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.13 -1.033 . . . . 74.32 112.684 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.697 HG22 ' HA ' ' A' ' 133' ' ' SER . 12.0 tt -60.37 135.77 24.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 110.352 -0.24 . . . . 72.13 110.352 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 63.19 54.37 2.08 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.508 0.671 . . . . 74.34 109.469 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -66.57 154.61 40.0 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.024 -0.989 . . . . 74.25 111.604 -175.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.06 -11.69 37.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.03 -0.532 . . . . 61.01 112.343 -173.623 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -108.67 -38.41 5.66 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.891 0.377 . . . . 74.23 111.169 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -68.46 99.64 0.99 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.132 -0.485 . . . . 73.25 110.021 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -116.68 169.24 9.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 72.34 111.41 -175.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -170.4 106.62 0.31 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.12 -0.945 . . . . 75.24 109.286 171.277 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -119.13 151.0 39.07 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.516 -0.311 . . . . 75.51 110.346 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -129.22 122.93 30.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.224 -0.444 . . . . 72.42 110.761 -177.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 9.0 t60 . . . . . 0 C--O 1.24 0.581 0 CA-C-O 118.767 -0.635 . . . . 75.3 109.491 176.852 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.019 -0.363 . . . . 64.42 110.019 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -106.16 102.57 11.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.342 -0.39 . . . . 72.33 111.648 -176.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.598 ' HB3' ' HE1' ' A' ' 7' ' ' TYR . 56.8 m-20 56.89 80.28 0.16 Allowed 'General case' 0 N--CA 1.466 0.349 0 O-C-N 124.097 0.873 . . . . 73.45 112.125 173.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.1 mtt-85 -104.81 -15.87 15.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.378 -0.374 . . . . 70.41 111.988 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.416 ' OG1' ' HA ' ' A' ' 29' ' ' ASP . 41.0 p -101.69 150.52 23.04 Favored 'General case' 0 C--N 1.311 -1.089 0 C-N-CA 120.817 -0.353 . . . . 74.45 110.486 178.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -60.49 153.26 23.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.174 0.511 . . . . 43.51 111.086 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.598 ' HE1' ' HB3' ' A' ' 3' ' ' ASP . 6.0 m-85 -106.4 127.27 53.15 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.203 -0.453 . . . . 75.41 111.175 -170.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.639 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 32.3 m-20 -114.57 90.51 3.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.294 -0.632 . . . . 62.21 109.294 175.711 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.41 ' O ' HG22 ' A' ' 74' ' ' ILE . 45.4 t -96.95 115.23 35.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.369 -0.378 . . . . 72.22 110.094 -176.7 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.639 ' CE2' ' HB3' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -143.11 114.99 8.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.5 0.666 . . . . 73.12 112.401 -179.251 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.78 HG21 ' HA ' ' A' ' 24' ' ' TYR . 14.9 p -86.51 93.21 9.11 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.259 -0.882 . . . . 64.52 109.4 170.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.445 ' HB2' ' HB2' ' A' ' 76' ' ' HIS . 10.2 t70 -130.19 112.81 13.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.372 -0.376 . . . . 74.22 110.587 -173.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.59 143.73 10.82 Favored Glycine 0 N--CA 1.452 -0.262 0 N-CA-C 111.608 -0.597 . . . . 64.14 111.608 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m -91.24 130.09 37.16 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.957 0.408 . . . . 75.32 111.875 -174.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -72.19 153.91 41.34 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.725 -0.843 . . . . 74.11 108.725 170.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.53 HG12 HD21 ' A' ' 17' ' ' ASN . 7.9 p -154.81 154.44 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.536 -0.466 . . . . 74.22 111.29 -176.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.53 HD21 HG12 ' A' ' 16' ' ' VAL . 61.6 m-80 63.3 27.46 15.43 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.374 0.67 . . . . 70.44 110.58 -178.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.06 6.89 61.43 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.981 -0.628 . . . . 72.14 112.88 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -107.37 151.0 26.09 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.527 -0.396 . . . . 61.13 110.073 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -107.16 138.0 44.16 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.914 0.388 . . . . 64.41 110.776 -176.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.606 ' HB3' HD22 ' A' ' 135' ' ' LEU . . . -138.31 131.46 30.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.808 -0.633 . . . . 74.0 109.405 174.073 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 7.3 p-90 -90.08 128.76 36.38 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.949 -0.759 . . . . 74.14 108.949 177.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.877 ' HB2' HG23 ' A' ' 127' ' ' VAL . . . -118.8 136.18 54.14 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.586 -0.734 . . . . 73.01 109.837 -176.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.78 ' HA ' HG21 ' A' ' 11' ' ' THR . 31.5 p90 -138.66 138.07 37.45 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.605 0.717 . . . . 75.12 112.044 -177.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.502 ' HA ' ' O ' ' A' ' 34' ' ' TYR . . . -150.94 101.89 2.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.538 -1.21 . . . . 70.25 108.794 174.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -87.95 97.64 11.06 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.703 -0.48 . . . . 73.13 109.703 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.435 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 2.5 p -109.3 110.87 33.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.607 -0.724 . . . . 72.33 110.858 -178.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.545 ' HB2' ' CD1' ' A' ' 7' ' ' TYR . 16.4 ptmt -123.41 135.91 54.36 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.842 -0.799 . . . . 73.55 108.842 175.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.416 ' HA ' ' OG1' ' A' ' 5' ' ' THR . 36.8 t70 64.56 19.93 11.98 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.887 0.851 . . . . 73.21 109.992 -178.147 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.17 3.03 90.45 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.686 -0.688 . . . . 74.42 112.282 -177.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.435 ' O ' ' HA ' ' A' ' 27' ' ' VAL . 25.0 mmtp -105.05 125.35 50.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.881 0.372 . . . . 73.54 110.277 -177.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.429 HG21 ' HB ' ' A' ' 27' ' ' VAL . 26.1 t -90.38 107.82 18.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.878 -0.601 . . . . 64.14 109.957 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' A' ' 57' ' ' ALA . 11.7 t-160 -76.11 -30.28 58.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.171 -0.468 . . . . 74.0 110.524 -176.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.502 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 2.8 m-85 -150.0 140.8 22.73 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.047 -0.524 . . . . 73.41 109.983 177.475 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.404 ' HB3' HG12 ' A' ' 32' ' ' VAL . 9.1 pt-20 -147.52 118.79 7.81 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 123.579 0.549 . . . . 73.01 110.562 178.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 24' ' ' TYR . 4.5 t70 -176.39 173.31 2.12 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.959 -0.564 . . . . 75.32 109.54 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.541 ' HB3' ' HD2' ' A' ' 130' ' ' LYS . . . -156.29 133.65 10.75 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.64 -0.504 . . . . 43.02 109.64 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -133.85 162.94 30.65 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.494 -0.558 . . . . 71.32 109.494 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 34.6 m -83.76 178.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.624 0.249 . . . . 62.22 111.258 -177.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.46 138.38 49.16 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.222 -0.514 . . . . 62.22 112.162 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 17.8 mtpp -118.82 -178.75 3.62 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.038 0.447 . . . . 74.22 110.301 -175.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -110.69 151.14 42.65 Favored Pre-proline 0 C--N 1.318 -0.8 0 CA-C-N 115.666 -0.697 . . . . 74.5 110.529 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_exo -62.09 -28.29 79.88 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.055 2.503 . . . . 74.54 112.694 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.66 -36.32 76.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 43.04 111.585 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.451 ' O ' ' HB3' ' A' ' 49' ' ' ARG . . . -98.66 -1.26 41.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.428 -0.351 . . . . 72.41 110.976 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.502 ' HA ' ' HD3' ' A' ' 49' ' ' ARG . . . -83.16 -33.4 26.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.519 -0.31 . . . . 64.23 111.385 -177.07 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.8 m -61.08 -38.5 86.49 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.969 -0.559 . . . . 72.2 111.601 -178.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 72.0 mtm -139.61 92.71 2.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.006 0.431 . . . . 75.45 110.042 -177.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.502 ' HD3' ' HA ' ' A' ' 46' ' ' ALA . 36.9 ptt180 -142.95 161.14 38.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.601 -0.727 . . . . 73.34 110.794 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -68.24 -14.91 63.34 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.202 -0.454 . . . . 71.02 111.175 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.445 ' O ' HG12 ' A' ' 55' ' ' ILE . 97.4 t -52.78 -29.66 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 120.99 0.424 . . . . 62.51 110.546 174.405 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.57 -31.37 66.09 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.076 -0.511 . . . . 74.13 111.158 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.67 -36.2 49.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.025 -0.607 . . . . 73.11 112.062 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.33 -43.49 77.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.863 0.363 . . . . 74.34 110.874 -178.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.445 HG12 ' O ' ' A' ' 51' ' ' VAL . 17.4 pt -70.18 -29.85 41.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.407 -0.361 . . . . 65.54 110.965 177.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.417 ' O ' ' HB3' ' A' ' 59' ' ' LEU . . . -62.77 -26.79 68.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.089 0.471 . . . . 37.49 110.748 175.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.413 ' HB2' ' CE1' ' A' ' 33' ' ' HIS . . . -72.85 -25.14 61.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 73.14 110.646 177.179 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.31 -37.23 53.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.982 -0.554 . . . . 64.12 109.527 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 35.2 tp -53.7 -49.47 68.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.345 -0.843 . . . . 65.53 110.376 174.154 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -62.45 -38.09 88.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.943 -0.571 . . . . 73.43 110.83 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.75 -41.35 99.16 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.32 -0.4 . . . . 73.31 110.957 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.2 t -71.97 -44.34 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.979 -0.555 . . . . 72.4 110.435 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -60.01 -38.82 83.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.985 -0.552 . . . . 71.3 111.061 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.471 ' O ' HD12 ' A' ' 68' ' ' LEU . 86.0 tttt -67.33 -31.09 71.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.932 0.396 . . . . 74.3 110.382 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.76 -34.77 64.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.94 0.4 . . . . 73.22 110.456 175.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.434 ' HB2' HD11 ' A' ' 109' ' ' ILE . 47.1 t -56.66 -52.09 66.24 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.461 -0.79 . . . . 70.14 111.258 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -66.0 -35.12 79.71 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.254 -0.43 . . . . 65.4 111.506 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 64' ' ' LYS . 9.9 mp -69.4 -25.41 64.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.047 0.451 . . . . 73.02 110.592 175.432 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.56 10.74 58.89 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 121.024 -0.608 . . . . 62.23 112.616 177.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.5 m -107.83 171.23 2.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.635 0.255 . . . . 75.13 110.91 -176.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.43 ' HD2' ' N ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -124.65 173.7 8.35 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.114 -0.493 . . . . 73.33 109.763 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 pp -109.75 159.08 9.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 110.102 -0.333 . . . . 74.44 110.102 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -126.76 141.39 51.84 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.168 -0.308 . . . . 71.23 110.168 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.746 ' H ' HD12 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -115.29 139.1 43.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 116.229 -0.441 . . . . 75.4 111.447 -175.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.744 ' HB3' ' HA ' ' A' ' 117' ' ' ALA . 98.1 mt -138.73 89.28 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.802 -0.635 . . . . 75.03 109.828 176.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.445 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -167.61 173.3 8.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.229 -175.131 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -88.69 -162.39 0.85 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.262 -1.014 . . . . 75.34 108.262 173.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 59.38 82.89 0.14 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.41 0.624 . . . . 64.0 111.819 178.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.654 ' HB3' ' HB2' ' A' ' 114' ' ' LYS . . . -94.21 -29.75 14.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.937 -0.574 . . . . 70.13 110.41 178.037 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.6 -22.79 68.26 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.622 -0.717 . . . . 52.04 113.205 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.3 tt -66.39 -20.08 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.219 0.533 . . . . 75.04 111.014 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.81 11.17 3.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 64.03 112.145 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -65.74 -21.65 66.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.551 0.215 . . . . 74.33 111.047 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.551 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 98.1 m95 -63.15 -31.99 73.27 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.381 -0.372 . . . . 74.42 111.207 178.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -91.21 0.08 57.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.422 -0.353 . . . . 73.31 111.942 -174.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.528 ' HA ' HD21 ' A' ' 104' ' ' ASN . 2.9 t -130.66 -31.42 1.78 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.152 0.427 . . . . 61.3 112.152 -176.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.76 25.08 74.86 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.256 -0.974 . . . . 74.14 111.248 -175.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.508 ' H ' HG21 ' A' ' 86' ' ' THR . 35.3 tt0 -64.14 -35.17 79.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.128 0.49 . . . . 74.24 110.689 -177.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -90.96 165.65 13.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.713 -0.676 . . . . 72.25 109.847 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.92 144.96 47.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.332 -0.395 . . . . 73.34 110.155 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.623 ' CB ' ' HB ' ' A' ' 96' ' ' THR . . . -98.66 162.63 13.02 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.102 -0.499 . . . . 71.2 111.703 -175.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -85.84 104.6 15.66 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.185 -0.672 . . . . 74.44 109.185 176.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.7 m120 68.14 -72.08 0.1 Allowed 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.782 0.676 . . . . 70.41 111.075 -177.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -168.01 -18.31 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.07 -0.513 . . . . 65.43 111.054 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -52.95 -51.95 59.7 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.109 -0.496 . . . . 73.32 111.736 -175.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.623 ' HB ' ' CB ' ' A' ' 91' ' ' ALA . 2.5 m -64.41 -38.69 91.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.424 -0.353 . . . . 62.45 111.414 -177.008 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.554 ' HG2' ' CB ' ' A' ' 91' ' ' ALA . 15.1 mm-40 -63.99 -47.07 81.81 Favored 'General case' 0 CA--C 1.523 -0.084 0 CA-C-O 120.706 0.289 . . . . 63.34 111.076 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.438 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -59.08 -44.5 91.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.924 -0.58 . . . . 71.45 110.998 -178.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.56 ' HE2' ' HE1' ' A' ' 103' ' ' MET . 19.1 t80 -74.72 -34.52 62.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.421 -0.354 . . . . 74.43 110.736 -177.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.551 ' HA ' ' O ' ' A' ' 84' ' ' TRP . . . -60.94 -41.75 96.86 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.212 -0.449 . . . . 73.21 111.195 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 97' ' ' GLN . 52.0 mtpt -68.73 -29.35 67.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.291 -0.413 . . . . 72.54 110.645 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.438 ' HG ' ' O ' ' A' ' 98' ' ' ALA . 95.0 mt -68.48 -41.87 79.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.412 -0.358 . . . . 74.22 110.309 177.362 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.679 ' HA ' ' CE1' ' A' ' 106' ' ' TYR . 36.8 mtt -72.67 -37.16 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.15 0.5 . . . . 75.33 110.691 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.528 HD21 ' HA ' ' A' ' 86' ' ' THR . 19.7 t-20 -63.32 -32.87 74.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.795 -0.639 . . . . 73.54 110.984 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.66 -47.37 70.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.632 -0.713 . . . . 72.41 111.848 -178.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.679 ' CE1' ' HA ' ' A' ' 103' ' ' MET . 17.2 p90 -103.24 17.16 24.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.024 0.44 . . . . 72.5 111.264 -177.591 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -71.34 150.76 44.79 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.414 -0.587 . . . . 71.23 109.414 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 122.96 -44.53 1.3 Allowed Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 110.838 -0.905 . . . . 52.0 110.838 -176.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.434 HD11 ' HB2' ' A' ' 66' ' ' SER . 40.9 mt -71.26 -39.02 72.28 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 N-CA-C 108.562 -0.903 . . . . 71.54 108.562 171.079 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -116.03 148.08 40.56 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 114.808 -1.087 . . . . 75.32 108.6 171.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.1 p -159.43 167.12 29.52 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 108.812 -0.81 . . . . 62.43 108.812 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.455 ' HA ' HG13 ' A' ' 74' ' ' ILE . 95.8 m-85 -129.96 136.32 49.32 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.147 0.498 . . . . 72.23 111.063 177.162 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.498 ' H ' HG13 ' A' ' 74' ' ' ILE . 43.1 mm-40 -130.78 153.4 49.09 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.027 -0.988 . . . . 73.41 108.689 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.654 ' HB2' ' HB3' ' A' ' 79' ' ' ALA . 82.2 tttt -97.75 77.39 2.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.378 0.609 . . . . 71.52 109.366 177.023 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.78 133.95 48.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.19 -0.913 . . . . 75.15 109.557 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -72.62 148.3 44.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.991 0.424 . . . . 71.41 111.303 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.744 ' HA ' ' HB3' ' A' ' 75' ' ' LEU . . . -70.04 -178.29 1.57 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.74 -0.664 . . . . 70.34 111.596 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -47.77 -64.83 0.68 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.7 -0.682 . . . . 72.1 110.178 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -149.62 14.2 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.503 -0.554 . . . . 74.32 109.503 172.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.05 115.72 1.9 Allowed Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.545 -0.752 . . . . 73.42 111.488 -174.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -81.64 163.94 22.19 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.284 -0.635 . . . . 62.12 109.284 -178.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -63.17 -28.08 69.81 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.047 0.451 . . . . 72.31 110.749 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -62.6 -35.73 80.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.905 -0.589 . . . . 72.2 110.18 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.65 -51.21 63.76 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.245 -0.434 . . . . 74.44 109.956 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.63 -33.47 72.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.794 -0.639 . . . . 72.13 111.092 -175.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -65.6 -56.46 12.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.39 -0.368 . . . . 73.11 111.017 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.877 HG23 ' HB2' ' A' ' 23' ' ' ALA . 9.6 p -69.21 -30.64 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 120.894 0.378 . . . . 71.33 110.583 -175.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.41 ' O ' ' HG2' ' A' ' 132' ' ' LYS . 11.2 t70 -62.71 -48.56 78.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 75.12 110.474 175.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 58.8 ttp -62.46 -38.78 91.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.034 -0.53 . . . . 53.05 110.428 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.541 ' HD2' ' HB3' ' A' ' 37' ' ' ALA . 10.1 tmtt? -60.78 -44.97 96.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.053 -0.521 . . . . 70.24 109.988 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.03 -51.35 68.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.026 -0.533 . . . . 71.14 111.649 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.522 ' HD3' HD12 ' A' ' 137' ' ' ILE . 11.1 ptpt -67.16 -24.53 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.549 -0.296 . . . . 73.31 111.619 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.579 ' HA ' HG21 ' A' ' 137' ' ' ILE . 64.9 m -63.17 -39.41 94.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.092 0.472 . . . . 72.15 110.245 176.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.46 -9.66 59.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 72.14 110.913 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.606 HD22 ' HB3' ' A' ' 21' ' ' ALA . 94.8 mt -99.29 5.82 46.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.075 -0.511 . . . . 70.25 110.975 -177.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.08 25.83 33.0 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 119.963 -1.113 . . . . 64.23 113.518 174.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.579 HG21 ' HA ' ' A' ' 133' ' ' SER . 13.8 tt -57.0 141.13 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 117.142 0.471 . . . . 71.55 110.577 177.806 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -90.2 111.57 22.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.282 -0.417 . . . . 72.13 109.881 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -125.89 157.82 36.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.903 0.382 . . . . 73.51 110.05 178.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 24.2 tp -92.37 -14.21 29.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.005 -0.543 . . . . 74.24 111.17 -177.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -76.68 -37.76 55.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 71.24 110.688 -175.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -85.57 88.47 7.53 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.889 -0.782 . . . . 74.42 108.889 173.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -102.31 88.3 3.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.07 -0.514 . . . . 74.52 110.783 -170.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -166.29 41.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.544 -0.753 . . . . 64.45 109.557 176.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -77.94 117.31 19.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.556 -0.747 . . . . 75.23 109.369 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -79.15 126.37 30.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.422 -0.354 . . . . 75.02 110.785 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 . . . . . 0 C--O 1.244 0.777 0 CA-C-O 118.624 -0.703 . . . . 61.35 109.725 -178.863 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 109.622 -0.511 . . . . 53.42 109.622 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.98 145.15 37.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.905 -0.776 . . . . 73.25 108.905 171.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.504 ' CG ' ' HZ1' ' A' ' 28' ' ' LYS . 38.2 m-20 -73.96 82.21 1.7 Allowed 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.427 0.632 . . . . 70.52 110.519 -176.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -83.81 74.74 10.16 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.429 -0.805 . . . . 64.32 111.381 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.533 HG21 ' HD2' ' A' ' 7' ' ' TYR . 13.0 t -169.64 141.13 2.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.752 -0.658 . . . . 71.44 109.719 176.594 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -91.49 102.14 14.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.582 0.706 . . . . 74.52 110.048 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.533 ' HD2' HG21 ' A' ' 5' ' ' THR . 46.9 p90 -117.52 169.57 9.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.704 -0.68 . . . . 75.51 111.039 -175.522 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.442 ' O ' HG13 ' A' ' 27' ' ' VAL . 8.7 m-20 -100.66 132.54 46.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.704 -0.68 . . . . 73.32 109.696 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.3 t -96.74 111.22 26.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.275 -0.639 . . . . 71.33 109.275 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -86.34 145.27 26.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.901 0.381 . . . . 71.41 111.943 -172.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.672 ' HA ' HG12 ' A' ' 127' ' ' VAL . 8.8 t -175.06 175.13 2.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.639 -0.71 . . . . 74.54 110.274 176.146 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -142.11 87.08 2.01 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.412 -0.588 . . . . 74.33 109.412 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.33 61.51 4.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.931 -0.652 . . . . 62.3 112.423 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.3 m -112.6 117.06 31.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.956 0.408 . . . . 64.32 110.768 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -77.26 163.24 26.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.868 -0.605 . . . . 74.15 109.932 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -168.77 146.79 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.708 0.289 . . . . 74.42 110.906 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 64.03 27.97 14.27 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.839 0.828 . . . . 71.13 110.783 173.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.58 6.97 85.35 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.42 -0.809 . . . . 45.42 112.801 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -117.85 151.31 37.62 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.019 -0.363 . . . . 74.42 110.019 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -137.82 145.84 42.77 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.206 -0.452 . . . . 65.5 110.815 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.93 154.5 38.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.737 -0.665 . . . . 71.31 109.651 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 -113.06 130.6 56.11 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.293 0.568 . . . . 75.0 109.91 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -130.82 153.61 48.91 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.636 -0.711 . . . . 72.44 109.645 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -147.41 137.92 23.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.911 0.386 . . . . 71.05 110.729 176.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.27 107.83 13.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.48 -0.782 . . . . 63.32 109.374 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.578 ' HZ ' HD13 ' A' ' 55' ' ' ILE . 87.1 m-85 -83.75 96.99 8.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.405 0.621 . . . . 74.12 109.69 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.637 ' HB ' HG21 ' A' ' 32' ' ' VAL . 1.7 p -109.0 111.23 35.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.019 -0.992 . . . . 74.03 110.79 -178.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.504 ' HZ1' ' CG ' ' A' ' 3' ' ' ASP . 80.0 mttt -118.62 148.98 42.14 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.24 -1.022 . . . . 71.53 108.24 178.348 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.674 ' HB3' ' HE2' ' A' ' 31' ' ' LYS . 32.0 t70 67.84 7.23 5.6 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.649 0.738 . . . . 64.25 111.156 173.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.4 7.99 56.6 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.716 -0.754 . . . . 73.45 113.028 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.674 ' HE2' ' HB3' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -142.21 150.0 40.41 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 117.101 0.451 . . . . 74.41 111.586 176.35 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.637 HG21 ' HB ' ' A' ' 27' ' ' VAL . 40.0 t -82.4 120.98 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.0 -0.545 . . . . 63.21 110.557 -174.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -85.65 -31.46 22.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.884 -0.598 . . . . 73.43 110.351 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -161.17 140.09 10.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.993 -0.549 . . . . 74.41 109.838 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.22 138.35 22.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.295 -0.412 . . . . 72.43 110.273 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.436 ' HB3' HG23 ' A' ' 51' ' ' VAL . 5.0 t70 -167.42 171.76 10.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.464 -0.334 . . . . 74.54 110.273 177.805 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.59 139.52 36.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.221 -0.445 . . . . 64.23 110.514 -176.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -136.85 173.38 11.76 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.376 -0.601 . . . . 74.11 109.376 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.3 m -106.75 163.35 5.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 O-C-N 122.277 -0.265 . . . . 61.33 111.161 -175.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.28 122.6 29.69 Favored Glycine 0 C--N 1.334 0.429 0 N-CA-C 110.587 -1.005 . . . . 74.45 110.587 173.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -139.24 -168.44 2.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.763 0.792 . . . . 73.33 112.393 -165.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.596 HD22 ' HD2' ' A' ' 90' ' ' LYS . 1.6 t30 -113.59 153.6 45.78 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 114.818 -1.083 . . . . 71.13 110.294 -178.128 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.07 -19.0 64.82 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.868 2.379 . . . . 72.45 112.435 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.42 -13.86 62.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.945 0.402 . . . . 60.11 111.081 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.5 5.61 34.52 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.215 -0.448 . . . . 51.32 111.003 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.522 ' O ' ' HG3' ' A' ' 49' ' ' ARG . . . -65.09 -16.54 63.59 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.126 -0.488 . . . . 71.44 110.91 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.6 p -62.86 -39.41 94.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.225 0.536 . . . . 64.43 110.881 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.432 ' O ' ' HB2' ' A' ' 49' ' ' ARG . 69.7 mtm -92.15 -45.36 8.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.852 -0.613 . . . . 64.12 110.963 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.522 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 96.3 mtt180 71.16 -63.81 0.41 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.649 0.611 . . . . 73.15 112.649 178.327 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.4 t30 60.62 -88.51 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.598 0.759 . . . . 73.25 110.841 -172.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.436 HG23 ' HB3' ' A' ' 36' ' ' ASP . 21.3 t -76.92 -31.08 18.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.12 0.486 . . . . 42.03 110.882 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.457 ' HA ' ' HB ' ' A' ' 55' ' ' ILE . . . -62.0 -17.34 56.84 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.598 -0.728 . . . . 60.55 112.815 -171.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.73 -53.2 32.61 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.505 -0.855 . . . . 62.02 111.754 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -71.3 -29.1 64.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.719 0.295 . . . . 52.25 110.497 177.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.578 HD13 ' HZ ' ' A' ' 26' ' ' PHE . 34.7 mm -60.68 -41.22 87.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 116.199 -0.455 . . . . 65.23 110.541 176.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.34 91.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.036 0.446 . . . . 54.35 110.713 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.16 -31.59 70.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.028 -0.533 . . . . 75.14 110.689 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.409 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -68.69 -33.06 73.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.048 -0.524 . . . . 74.44 110.812 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.4 tp -63.2 -40.12 96.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.033 0.444 . . . . 75.31 110.435 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.932 ' HA ' ' HG2' ' A' ' 63' ' ' LYS . 41.0 m-85 -71.16 -26.14 62.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.076 -0.511 . . . . 74.14 110.848 176.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.14 -41.95 80.87 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.663 -0.495 . . . . 71.14 109.663 173.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 58' ' ' ALA . 93.3 t -61.86 -50.38 80.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.704 -0.68 . . . . 74.21 110.807 176.222 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.932 ' HG2' ' HA ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -65.03 -28.45 69.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 72.32 110.74 -179.184 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 44.8 tptt -74.44 -46.08 42.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.441 -0.345 . . . . 62.23 110.172 178.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.78 78.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.788 -0.642 . . . . 73.22 111.225 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.7 t -60.05 -40.54 89.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.339 -0.391 . . . . 52.24 110.358 178.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -73.88 -34.3 64.39 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.953 0.406 . . . . 60.41 110.741 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.5 tp -76.45 -25.07 53.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.147 -0.479 . . . . 75.01 111.156 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.84 14.87 54.36 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.88 -0.676 . . . . 74.34 112.017 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.4 m -112.43 170.16 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.675 0.274 . . . . 73.11 110.506 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -146.86 165.58 29.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.42 -0.355 . . . . 74.1 110.292 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 110' ' ' TYR . 2.5 pp -129.01 172.58 15.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.442 -0.577 . . . . 74.31 109.442 176.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.417 ' O ' ' HA ' ' A' ' 8' ' ' ASP . 72.5 mtt180 -123.86 132.11 53.7 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.892 -0.323 . . . . 72.31 110.146 -177.744 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.498 HG22 ' HB3' ' A' ' 112' ' ' PHE . 11.9 tt -92.08 120.62 41.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.632 0.73 . . . . 74.3 109.419 175.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -89.3 99.23 12.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.3 -0.864 . . . . 64.41 110.449 -170.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 44.4 t60 69.54 85.07 0.14 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.343 -0.844 . . . . 73.15 112.673 172.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -159.59 157.95 30.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.473 -0.785 . . . . 71.23 109.546 170.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -160.6 -30.92 0.06 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.595 -0.73 . . . . 74.34 109.383 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.84 -35.54 14.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.832 -0.622 . . . . 73.33 111.344 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.8 -55.54 26.32 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.866 -0.683 . . . . 43.42 112.387 -176.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.6 pp -65.56 -19.97 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.683 0.278 . . . . 70.43 111.669 177.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.29 -27.56 59.39 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.864 0.32 . . . . 72.5 111.864 -176.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -58.54 -49.38 77.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.049 0.452 . . . . 63.22 111.324 -178.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -74.39 -25.39 59.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.334 -0.394 . . . . 63.11 110.977 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.39 -39.01 62.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.236 -0.438 . . . . 64.43 111.228 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.0 t -84.26 -7.97 59.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.827 0.346 . . . . 73.25 110.276 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.38 69.41 1.4 Allowed Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.856 -0.611 . . . . 74.3 112.911 177.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.13 -15.65 62.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.885 0.374 . . . . 74.31 110.496 176.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -88.69 151.07 22.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.206 0.527 . . . . 74.51 110.804 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.596 ' HD2' HD22 ' A' ' 42' ' ' ASN . 3.7 ptpt -97.86 124.88 42.46 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.657 -0.498 . . . . 73.52 109.657 175.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.494 ' HB3' ' O ' ' A' ' 93' ' ' ASN . . . -73.09 128.12 34.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.304 -0.862 . . . . 72.13 112.709 -168.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -93.42 -7.68 43.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.567 0.698 . . . . 65.41 109.275 169.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.494 ' O ' ' HB3' ' A' ' 91' ' ' ALA . 28.6 p30 -151.18 175.06 12.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.259 -0.882 . . . . 63.23 109.512 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.0 -21.31 40.34 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.851 0.357 . . . . 73.43 110.378 -178.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -61.42 -46.62 89.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.902 -0.59 . . . . 75.43 111.156 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.3 p -66.48 -37.63 85.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.784 0.326 . . . . 74.13 111.585 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -45.9 82.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.104 0.478 . . . . 61.31 110.513 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.9 -32.57 69.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.889 -0.596 . . . . 73.42 111.259 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -61.36 -31.89 71.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.535 -0.302 . . . . 75.23 110.872 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.37 -29.54 70.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.064 0.459 . . . . 63.12 110.361 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -84.03 -40.39 18.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.265 0.555 . . . . 71.31 109.958 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.43 -7.93 53.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.737 -0.665 . . . . 73.43 111.412 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.472 ' HA ' ' CE2' ' A' ' 106' ' ' TYR . 1.6 tmt? -58.98 -42.33 89.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.111 0.481 . . . . 75.42 110.038 176.315 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.577 ' HA ' ' HG3' ' A' ' 107' ' ' ARG . 66.1 t30 -68.56 -28.81 67.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.561 -0.745 . . . . 70.31 110.682 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.72 -47.39 85.47 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.516 -0.766 . . . . 60.14 111.558 -178.41 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.472 ' CE2' ' HA ' ' A' ' 103' ' ' MET . 13.3 p90 -90.62 14.8 12.31 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.344 -0.542 . . . . 74.13 112.383 -174.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.577 ' HG3' ' HA ' ' A' ' 104' ' ' ASN . 15.2 mtm180 -72.49 117.83 14.64 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.934 -0.765 . . . . 61.24 108.934 172.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 158.47 -30.18 0.46 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 110.758 -0.937 . . . . 72.12 110.758 -173.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.406 ' N ' HD12 ' A' ' 109' ' ' ILE . 3.6 mp -73.19 -27.02 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 108.539 -0.911 . . . . 64.43 108.539 170.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.421 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 29.1 p90 -149.3 146.14 27.4 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.363 -0.835 . . . . 74.21 109.667 174.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.5 t -142.44 162.41 35.55 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.818 -0.808 . . . . 73.14 108.818 174.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.498 ' HB3' HG22 ' A' ' 74' ' ' ILE . 41.5 p90 -113.06 138.41 49.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.949 0.404 . . . . 74.21 110.628 -178.154 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.8 150.92 51.44 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.873 -0.603 . . . . 74.43 109.554 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -81.12 113.44 19.29 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 121.562 0.696 . . . . 74.13 111.482 -174.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.6 p -100.08 153.76 4.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.179 -0.918 . . . . 71.12 109.682 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.584 ' H ' ' HD2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -100.18 155.4 17.77 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.451 -0.574 . . . . 74.03 109.451 175.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -132.36 110.94 10.92 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.735 0.302 . . . . 73.13 110.756 -178.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -64.66 -39.32 93.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.122 -0.49 . . . . 72.01 109.757 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 p -146.57 -31.29 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.78 -0.646 . . . . 62.25 110.794 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 106.49 127.92 5.93 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.378 -0.689 . . . . 65.4 111.378 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -75.68 161.53 29.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.856 0.36 . . . . 73.15 111.105 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -58.45 -32.22 68.52 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.947 -0.57 . . . . 74.53 110.706 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -65.84 -33.48 75.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.637 -0.71 . . . . 74.32 110.734 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -74.12 -40.53 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.798 -0.445 . . . . 52.51 109.798 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.57 -34.38 75.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 71.1 111.367 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.26 -51.33 69.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 74.45 110.604 -178.585 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.672 HG12 ' HA ' ' A' ' 11' ' ' THR . 9.2 p -75.75 -31.08 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 71.14 110.427 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -55.49 -52.98 61.84 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.674 -0.693 . . . . 74.1 110.331 175.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.415 ' HE2' ' HB3' ' A' ' 129' ' ' MET . 41.1 ttp -59.61 -44.82 93.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.345 -0.843 . . . . 64.31 111.096 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -53.71 -53.04 57.72 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.397 0.518 . . . . 73.24 112.397 -174.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.2 -46.24 61.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.11 0.481 . . . . 71.15 111.771 -175.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -76.1 -27.41 57.12 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 112.507 0.558 . . . . 75.42 112.507 -171.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.1 p -73.65 -31.11 63.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.135 0.493 . . . . 62.11 109.991 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.44 -15.03 61.35 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.749 -0.659 . . . . 74.2 110.921 178.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.1 mt -95.1 -3.61 47.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 71.42 110.121 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 83.43 24.77 49.83 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.512 -0.852 . . . . 54.43 112.668 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 74.7 mt -88.39 121.7 39.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.878 0.37 . . . . 53.34 110.911 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.431 ' HD2' ' N ' ' A' ' 138' ' ' ARG . 2.9 mpt_? -100.95 -164.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.05 -0.523 . . . . 75.41 109.681 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.471 ' OD1' ' HB3' ' A' ' 141' ' ' GLU . 4.7 p-10 -66.09 149.13 50.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.166 0.508 . . . . 74.32 111.038 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 87.0 mt -79.52 2.2 22.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.752 -0.658 . . . . 75.41 112.085 -173.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . 0.471 ' HB3' ' OD1' ' A' ' 139' ' ' ASP . 42.6 tt0 -70.08 -28.63 65.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.416 -0.587 . . . . 74.11 109.416 176.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -88.98 89.47 8.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.834 -0.621 . . . . 73.54 109.796 173.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -119.74 -47.74 2.4 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.537 -0.912 . . . . 74.33 108.537 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 29.5 t60 61.25 -78.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 114.705 -1.134 . . . . 62.24 111.595 177.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -168.62 -26.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.322 0.119 . . . . 75.32 111.322 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 28.1 p80 49.28 -169.14 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.97 0.908 . . . . 75.33 111.336 -172.316 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 . . . . . 0 C--O 1.244 0.806 0 CA-C-O 117.932 -1.033 . . . . 73.15 109.041 173.665 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.542 ' H1 ' ' CG ' ' A' ' 29' ' ' ASP . 66.4 mtt . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 110.459 -0.2 . . . . 61.34 110.459 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -137.45 91.32 2.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.309 0.576 . . . . 62.25 110.511 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -101.72 14.19 32.68 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.301 -0.863 . . . . 73.5 109.443 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -81.85 -14.52 56.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.036 -0.983 . . . . 72.14 111.179 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 p -109.7 96.75 6.47 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.733 -0.667 . . . . 74.41 111.68 -177.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 62.43 107.82 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.251 -0.886 . . . . 75.3 112.471 176.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.499 ' HE1' ' HE2' ' A' ' 28' ' ' LYS . 50.7 m-85 -75.52 130.95 39.69 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.624 -0.509 . . . . 73.21 109.624 173.417 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -104.3 149.78 25.03 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.015 -0.539 . . . . 75.43 110.651 -172.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.625 ' HB ' HD11 ' A' ' 74' ' ' ILE . 59.7 t -126.8 111.87 27.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.368 -0.378 . . . . 74.4 110.027 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.423 ' C ' ' HG1' ' A' ' 11' ' ' THR . 1.4 m-30 -106.91 110.45 22.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.97 0.414 . . . . 73.14 110.117 177.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.57 HG22 HG13 ' A' ' 127' ' ' VAL . 44.7 m -168.15 127.61 1.25 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.419 -0.81 . . . . 74.52 109.155 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -95.15 -78.71 0.44 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.529 -0.915 . . . . 65.24 108.529 170.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.62 130.82 0.23 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.844 -0.694 . . . . 72.34 113.037 173.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.5 m -144.84 112.66 6.31 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 122.043 -0.681 . . . . 75.21 111.8 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 19' ' ' GLN . 30.3 p90 -75.3 140.02 42.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.351 -0.981 . . . . 63.11 108.351 170.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p -154.66 155.55 5.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.83 -0.348 . . . . 75.31 110.786 -171.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.3 m120 64.05 28.3 14.27 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.795 -0.639 . . . . 74.42 110.838 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.12 -16.66 36.95 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.718 -0.674 . . . . 63.43 112.497 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.737 ' HB3' HD22 ' A' ' 135' ' ' LEU . 17.6 mm-40 -80.48 126.44 31.21 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.039 -0.356 . . . . 75.32 110.039 -179.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 41.3 p90 -120.96 153.44 37.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.399 -0.364 . . . . 73.42 110.169 -178.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.25 166.86 32.24 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.24 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.528 ' O ' ' HA ' ' A' ' 37' ' ' ALA . 61.4 p-90 -111.17 130.37 55.66 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.435 -0.58 . . . . 74.45 109.435 173.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.615 ' HB3' HG21 ' A' ' 127' ' ' VAL . . . -132.76 136.43 46.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.824 -0.626 . . . . 50.4 110.286 -176.209 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -142.21 138.63 31.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.294 -0.412 . . . . 75.22 110.746 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.32 105.25 7.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.781 -0.645 . . . . 73.4 109.499 172.497 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -87.68 110.96 20.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.154 -0.476 . . . . 74.33 110.545 -175.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.498 ' HB ' HG23 ' A' ' 32' ' ' VAL . 4.3 p -116.78 123.56 71.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.622 0.725 . . . . 74.22 111.162 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.499 ' HE2' ' HE1' ' A' ' 7' ' ' TYR . 15.5 ptpt -127.93 132.72 49.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.772 -0.649 . . . . 72.41 109.502 176.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.542 ' CG ' ' H1 ' ' A' ' 1' ' ' MET . 22.3 t70 65.66 11.85 7.82 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.458 0.647 . . . . 71.42 110.287 178.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.49 2.25 63.64 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.875 -0.602 . . . . 74.01 112.124 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.11 141.23 47.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.03 0.443 . . . . 73.31 110.28 -178.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.498 HG23 ' HB ' ' A' ' 27' ' ' VAL . 76.8 t -108.15 120.96 60.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.961 -0.563 . . . . 73.01 110.028 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -110.01 -18.47 13.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.318 -0.401 . . . . 75.11 110.874 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -137.69 138.7 39.65 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.034 -0.358 . . . . 72.11 110.034 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.14 148.28 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.342 0.401 . . . . 64.12 110.445 177.403 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -175.81 171.53 2.65 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 109.861 -0.422 . . . . 71.41 109.861 173.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.528 ' HA ' ' O ' ' A' ' 22' ' ' TRP . . . -157.16 109.56 2.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.583 -0.735 . . . . 64.42 109.299 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -132.14 173.51 11.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.738 0.304 . . . . 72.34 110.385 -174.833 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.7 m -103.31 130.48 53.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.084 0.468 . . . . 71.25 110.833 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.51 111.78 0.36 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.739 -0.743 . . . . 63.25 112.562 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -108.66 101.66 10.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.094 0.473 . . . . 63.31 109.958 178.141 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -147.53 144.42 19.37 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.67 -0.695 . . . . 74.11 109.679 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -49.62 -54.13 5.95 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.271 2.647 . . . . 64.54 113.368 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.16 -27.87 67.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.94 0.4 . . . . 72.31 111.445 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.01 -32.71 63.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.074 0.464 . . . . 70.22 110.402 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.83 -16.44 61.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 43.05 111.348 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 m -72.24 -37.09 69.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.896 0.379 . . . . 64.02 111.569 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 68.5 mtm -76.01 -47.23 25.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.989 0.423 . . . . 75.22 110.982 -176.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -73.75 136.69 43.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.189 -0.46 . . . . 72.02 110.21 175.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -80.19 19.51 0.74 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.983 0.421 . . . . 74.2 111.773 -174.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.8 t -68.63 -27.99 38.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.425 0.631 . . . . 70.33 109.387 171.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.491 ' HA ' HG12 ' A' ' 55' ' ' ILE . . . -53.3 -29.88 35.83 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 114.92 -1.036 . . . . 73.02 112.29 -177.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.47 -47.31 85.52 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.54 -0.838 . . . . 73.44 112.146 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.59 -46.14 73.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.702 0.287 . . . . 75.12 111.322 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.491 HG12 ' HA ' ' A' ' 52' ' ' ALA . 40.0 pt -66.81 -32.56 58.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 121.028 -0.269 . . . . 52.41 111.497 -177.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.87 93.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.881 0.372 . . . . 52.0 110.719 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.8 -33.74 68.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.644 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.5 -27.46 61.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 74.11 110.569 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.7 tp -65.46 -31.47 72.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.778 -0.646 . . . . 63.45 110.718 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -66.45 -26.82 67.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 74.24 110.58 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.82 -36.59 82.71 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.822 -0.436 . . . . 72.14 109.822 175.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.434 HG12 HG12 ' A' ' 109' ' ' ILE . 93.0 t -65.33 -37.77 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.594 -0.73 . . . . 74.25 109.949 175.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.442 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 11.9 tmtt? -66.31 -36.79 83.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.361 -0.836 . . . . 75.4 110.095 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -75.9 -47.99 23.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.546 -0.297 . . . . 73.31 111.605 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.426 ' HB1' HG13 ' A' ' 109' ' ' ILE . . . -58.27 -32.47 68.42 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.282 0.475 . . . . 75.32 112.282 -173.69 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 p -65.43 -27.98 68.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.69 0.281 . . . . 64.32 111.208 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -83.12 -33.36 26.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.437 -0.347 . . . . 62.03 110.875 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.04 -24.91 55.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.536 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.84 1.72 61.53 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.89 -0.671 . . . . 72.0 112.37 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.1 m -97.08 145.28 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.058 0.456 . . . . 72.03 111.067 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.746 ' HA ' HG21 ' A' ' 109' ' ' ILE . 9.1 mptt -132.09 -177.09 4.29 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.96 -0.756 . . . . 64.03 108.96 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.753 HG12 ' HA ' ' A' ' 110' ' ' TYR . 1.7 pp -108.58 152.36 10.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.207 -1.034 . . . . 65.12 108.207 171.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -135.1 101.52 4.9 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.302 0.572 . . . . 63.1 111.85 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.625 HD11 ' HB ' ' A' ' 9' ' ' VAL . 47.5 mm -86.12 118.0 31.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.669 -0.863 . . . . 71.15 108.669 170.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.48 112.88 2.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.18 0.514 . . . . 64.11 110.878 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -145.1 170.72 15.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.63 -0.714 . . . . 73.33 109.976 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -75.53 156.71 34.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.137 -0.483 . . . . 71.12 109.964 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 62.78 58.41 1.57 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.435 0.635 . . . . 71.51 110.635 -175.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.15 -35.69 12.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.977 -0.556 . . . . 75.51 111.767 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.84 -21.0 74.89 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 121.349 -0.453 . . . . 51.22 113.369 -173.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.415 HD13 ' HB2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -60.15 -32.01 49.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 120.885 0.374 . . . . 75.23 110.773 -179.109 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.35 -11.45 60.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.501 -0.318 . . . . 44.34 111.683 -176.437 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -74.58 -32.84 62.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.066 0.46 . . . . 71.31 110.567 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -74.05 -21.02 60.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.3 0.571 . . . . 74.33 110.242 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.776 ' HB2' ' HA ' ' A' ' 103' ' ' MET . . . -92.29 1.36 57.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.397 -0.819 . . . . 73.32 111.919 -177.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.6 p -51.93 -40.25 60.48 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.825 0.676 . . . . 72.12 112.825 -174.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -113.35 -111.55 3.03 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.49 -0.862 . . . . 63.32 111.861 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -96.75 -59.48 1.8 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.903 0.382 . . . . 73.4 110.044 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . 0.651 ' HA ' ' HB3' ' A' ' 100' ' ' ALA . 8.1 p-90 -167.05 120.21 0.98 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.012 -0.54 . . . . 73.44 110.85 176.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.735 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 8.0 mmpt? -89.3 117.97 28.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.892 -0.594 . . . . 73.45 110.733 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.437 ' HA ' ' HG1' ' A' ' 96' ' ' THR . . . -112.27 102.73 10.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.821 -0.627 . . . . 73.21 111.249 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -81.84 -46.64 13.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.244 -0.434 . . . . 72.35 109.869 174.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -142.62 -73.71 0.29 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.681 -0.69 . . . . 74.43 110.435 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -149.15 -56.96 0.2 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.918 -0.583 . . . . 74.51 110.836 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -54.36 -31.88 55.61 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.164 -0.471 . . . . 74.14 111.902 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.621 ' HA ' ' HD2' ' A' ' 99' ' ' TYR . 5.6 p -58.75 -28.01 65.48 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.951 -0.568 . . . . 71.02 112.033 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -38.05 83.24 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.863 0.363 . . . . 74.41 110.461 179.058 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.02 -38.54 75.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.402 178.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.621 ' HD2' ' HA ' ' A' ' 96' ' ' THR . 73.3 m-85 -65.3 -43.42 91.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.816 -0.629 . . . . 75.21 110.616 177.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.651 ' HB3' ' HA ' ' A' ' 89' ' ' TRP . . . -73.48 -26.81 61.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.769 -0.65 . . . . 73.33 111.671 -177.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.65 -20.61 66.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.27 0.557 . . . . 74.41 110.029 177.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.613 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 84.5 mt -84.34 29.21 0.59 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.914 -0.584 . . . . 74.12 110.175 177.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.776 ' HA ' ' HB2' ' A' ' 85' ' ' ALA . 15.8 tmm? -60.39 -27.53 67.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 72.02 110.96 178.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -51.06 -45.22 61.31 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.626 -0.715 . . . . 74.43 111.668 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.613 ' HG3' ' O ' ' A' ' 102' ' ' LEU . 4.7 pp0? -73.76 -18.98 60.91 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.731 0.3 . . . . 71.13 111.522 -177.169 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -77.32 -32.73 55.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.26 0.553 . . . . 74.11 109.738 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -74.85 114.82 13.74 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.833 -0.621 . . . . 71.41 110.055 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.31 100.1 0.77 Allowed Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.186 -1.166 . . . . 54.52 110.186 -172.335 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.746 HG21 ' HA ' ' A' ' 71' ' ' LYS . 46.2 mm -60.6 -31.52 49.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 112.45 0.537 . . . . 74.3 112.45 -171.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.753 ' HA ' HG12 ' A' ' 72' ' ' ILE . 5.3 p90 -116.27 147.89 41.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.163 0.506 . . . . 73.53 111.363 -176.889 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.4 t -157.27 169.07 25.58 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.147 -1.057 . . . . 70.52 108.147 175.418 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -156.01 137.1 13.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.019 0.438 . . . . 74.03 110.721 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -123.67 134.55 53.72 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.495 -0.775 . . . . 73.31 109.476 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.7 mppt? -85.23 106.78 16.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.172 0.51 . . . . 74.14 111.165 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 34.9 m -122.84 165.94 18.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.157 -0.929 . . . . 65.44 109.062 176.182 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -43.53 137.3 2.92 Favored 'General case' 0 C--O 1.238 0.481 0 O-C-N 123.463 0.477 . . . . 72.31 111.109 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.45 142.45 5.76 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.585 -0.734 . . . . 64.21 112.517 -171.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -90.83 -54.71 3.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.346 -0.843 . . . . 75.44 110.604 -176.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.9 m -149.07 -31.75 0.23 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.639 0.607 . . . . 75.23 112.639 -175.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 78.74 62.1 2.31 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.228 -0.986 . . . . 73.14 111.625 -175.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -79.8 161.82 25.46 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.703 -0.48 . . . . 74.14 109.703 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -60.71 -31.31 70.61 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.223 0.453 . . . . 71.2 112.223 -176.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -74.9 -32.4 61.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.529 0.68 . . . . 74.23 109.723 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -71.84 -47.24 54.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.932 -1.031 . . . . 72.31 110.566 -176.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -62.38 -33.77 75.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 72.12 110.789 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -61.35 -44.54 97.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 75.5 111.133 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.615 HG21 ' HB3' ' A' ' 23' ' ' ALA . 14.2 p -77.3 -36.2 23.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 116.552 -0.294 . . . . 72.24 111.026 -177.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.487 ' CG ' ' HZ3' ' A' ' 132' ' ' LYS . 30.9 t70 -72.02 -33.15 67.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.966 0.412 . . . . 63.25 110.952 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 54.2 ttp -61.46 -36.36 80.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.139 0.495 . . . . 73.21 110.195 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.465 ' HD3' ' O ' ' A' ' 130' ' ' LYS . 2.2 tmtp? -69.11 -42.21 76.4 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.046 -0.724 . . . . 71.43 109.046 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.525 ' O ' ' HG ' ' A' ' 135' ' ' LEU . . . -58.77 -49.78 76.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.024 -0.535 . . . . 75.14 111.088 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.487 ' HZ3' ' CG ' ' A' ' 128' ' ' ASP . 14.2 mptt -53.72 -47.41 70.59 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.801 0.334 . . . . 73.41 111.016 177.007 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.0 m -62.44 -39.35 93.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.962 -0.563 . . . . 70.43 111.07 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.0 -18.97 61.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.364 -0.38 . . . . 54.21 111.183 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.737 HD22 ' HB3' ' A' ' 19' ' ' GLN . 98.1 mt -91.93 -7.58 48.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.361 -0.381 . . . . 70.14 110.448 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.74 23.64 41.63 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.556 -0.83 . . . . 61.54 112.093 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 58.8 mt -99.1 145.85 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.596 -0.52 . . . . 74.35 109.596 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.413 ' N ' ' HD3' ' A' ' 138' ' ' ARG . 0.0 OUTLIER -85.63 -177.92 6.52 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.762 0.315 . . . . 73.24 110.368 -179.869 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.582 ' OD2' ' HB2' ' A' ' 142' ' ' HIS . 2.9 p-10 -58.96 139.98 56.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.071 -0.513 . . . . 65.05 110.676 177.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.91 -69.07 0.39 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.743 1.016 . . . . 60.25 113.743 -163.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -105.79 27.01 8.9 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.512 0.56 . . . . 75.35 112.512 -166.503 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.582 ' HB2' ' OD2' ' A' ' 139' ' ' ASP . 31.4 m170 -94.75 163.03 13.53 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.613 -0.435 . . . . 75.23 109.942 173.758 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -82.95 53.59 2.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.854 -0.612 . . . . 75.01 109.438 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -75.18 76.38 2.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.658 -0.701 . . . . 73.13 111.304 -172.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -135.15 146.69 49.0 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.827 -0.805 . . . . 72.11 108.827 174.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -86.11 16.59 4.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.852 0.358 . . . . 72.34 111.484 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.265 -0.874 . . . . 73.24 109.471 174.623 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.762 0.315 . . . . 54.11 110.929 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -144.84 136.48 25.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.385 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -141.4 26.06 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.844 -0.616 . . . . 64.12 109.674 178.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -84.55 -2.23 57.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.543 -0.753 . . . . 75.22 112.753 -170.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 p -115.68 95.84 5.33 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.112 0.782 . . . . 63.02 113.112 -175.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 71' ' ' LYS . 18.9 tt0 65.24 125.79 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 114.977 -1.011 . . . . 74.02 112.661 170.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.475 ' HB2' HG22 ' A' ' 72' ' ' ILE . 91.1 m-85 -109.78 128.38 55.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.141 -0.481 . . . . 74.14 111.703 -176.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -103.87 108.68 20.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.756 -0.831 . . . . 75.02 108.756 171.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.469 ' O ' ' HD3' ' A' ' 73' ' ' ARG . 21.9 t -96.15 136.74 26.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.098 -0.501 . . . . 71.44 110.998 -168.222 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -93.64 172.57 8.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.822 0.344 . . . . 73.33 111.595 -177.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.3 m 67.71 103.71 0.05 OUTLIER 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.092 -0.958 . . . . 75.12 111.638 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.9 -17.34 63.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.247 0.546 . . . . 74.32 110.566 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.24 36.49 34.73 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 110.732 -0.947 . . . . 65.42 110.732 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.5 p -98.41 151.82 20.15 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.992 -0.604 . . . . 70.41 111.351 -176.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.454 ' HB3' ' HD1' ' A' ' 20' ' ' TYR . 43.6 p90 -64.25 141.07 58.9 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.448 -0.575 . . . . 75.22 109.448 174.641 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -120.56 120.77 63.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.259 0.552 . . . . 64.43 111.08 -175.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.2 m120 60.76 27.63 17.39 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.59 -0.732 . . . . 45.43 111.935 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.06 -14.17 61.53 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.469 -0.872 . . . . 73.43 113.379 175.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -106.13 127.05 52.93 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.395 -0.473 . . . . 73.25 110.14 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.454 ' HD1' ' HB3' ' A' ' 15' ' ' TYR . 92.2 t80 -98.31 135.29 40.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.993 -0.549 . . . . 73.22 111.458 -176.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.11 153.53 35.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.046 -0.979 . . . . 75.45 108.436 174.597 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -95.45 130.71 42.17 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.446 -0.502 . . . . 74.12 109.746 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.679 ' HB1' HG12 ' A' ' 127' ' ' VAL . . . -142.66 149.82 39.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.775 -0.648 . . . . 73.51 110.966 -172.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -145.62 142.74 29.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.375 -0.375 . . . . 71.54 110.399 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.86 ' HB2' HG23 ' A' ' 127' ' ' VAL . . . -135.74 102.95 5.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.39 -0.368 . . . . 71.4 110.784 176.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -91.55 116.61 29.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.703 0.763 . . . . 75.33 110.689 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.603 ' HA ' ' HA ' ' A' ' 32' ' ' VAL . 1.8 p -118.09 142.87 30.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 114.891 -1.05 . . . . 75.43 111.057 -174.066 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.567 ' HZ3' ' HB3' ' A' ' 28' ' ' LYS . 0.2 OUTLIER -137.95 135.86 36.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.955 -0.566 . . . . 72.31 109.879 177.556 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.5 t70 61.88 15.92 7.56 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.7 0.762 . . . . 71.14 111.198 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.94 -9.94 63.91 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.746 -0.74 . . . . 64.13 112.498 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -109.85 131.47 55.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.96 0.409 . . . . 72.55 110.496 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.603 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 7.1 p -78.81 132.65 31.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.982 -0.554 . . . . 65.43 109.593 177.298 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.461 ' HB3' ' OE1' ' A' ' 54' ' ' GLU . 29.1 t-80 -77.11 -59.63 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.816 -0.439 . . . . 72.33 109.816 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -142.5 143.39 32.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.027 -0.533 . . . . 75.34 110.561 174.031 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.749 ' HB2' HG22 ' A' ' 127' ' ' VAL . 0.0 OUTLIER -137.92 129.76 28.49 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.568 -0.742 . . . . 74.1 109.762 -178.626 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.74 ' HB3' HG22 ' A' ' 51' ' ' VAL . 2.0 t70 -157.83 171.26 20.6 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.131 -0.322 . . . . 71.54 110.131 -177.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -155.87 150.51 26.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.663 0.268 . . . . 72.42 110.985 -175.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -148.31 176.23 10.43 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.777 -0.453 . . . . 73.04 109.777 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.8 t -117.94 146.34 22.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.143 0.497 . . . . 62.31 111.133 -174.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.27 115.43 0.37 Allowed Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.647 -0.706 . . . . 72.04 113.244 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -87.51 94.06 9.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.957 0.408 . . . . 65.45 110.631 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -125.59 151.29 70.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.978 -0.555 . . . . 73.41 109.924 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.36 -34.93 97.66 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.539 2.16 . . . . 64.4 111.89 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.54 -9.52 58.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.92 -0.582 . . . . 71.44 110.954 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.29 6.56 46.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.823 -0.626 . . . . 63.14 111.0 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.32 -45.5 45.47 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.086 0.469 . . . . 73.32 111.398 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.672 ' HA ' ' HB1' ' A' ' 52' ' ' ALA . 29.4 m -95.43 -60.99 1.54 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.467 -0.568 . . . . 71.32 109.467 172.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.938 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 2.0 tpt 66.86 -58.84 0.39 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.412 1.085 . . . . 72.55 112.104 173.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -126.51 -71.42 0.69 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.538 -0.301 . . . . 73.55 110.387 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -158.13 -9.13 0.08 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.779 0.323 . . . . 74.42 111.808 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.74 HG22 ' HB3' ' A' ' 36' ' ' ASP . 16.1 t -57.24 -29.55 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 N-CA-C 112.807 0.669 . . . . 65.34 112.807 -172.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.672 ' HB1' ' HA ' ' A' ' 47' ' ' THR . . . -64.92 -16.26 63.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.118 0.785 . . . . 63.11 113.118 -174.418 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.19 -53.28 46.98 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.754 -0.736 . . . . 61.12 112.432 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.461 ' OE1' ' HB3' ' A' ' 33' ' ' HIS . 31.6 mm-40 -64.97 -31.76 73.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.779 0.323 . . . . 62.41 110.777 178.228 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.4 mm -58.46 -45.66 89.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 73.22 110.325 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.436 ' O ' ' HD1' ' A' ' 60' ' ' TYR . . . -66.44 -37.55 85.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.989 -0.55 . . . . 53.12 110.874 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.8 88.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 73.35 110.91 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.437 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -70.46 -39.46 74.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.981 -0.554 . . . . 75.03 111.311 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.0 tp -54.45 -56.63 16.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.418 . . . . 73.03 111.795 -177.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.436 ' HD1' ' O ' ' A' ' 56' ' ' ALA . 91.8 m-85 -67.13 -29.28 68.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.615 -0.266 . . . . 73.1 111.05 -177.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.24 76.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.373 -0.376 . . . . 72.43 110.404 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 58' ' ' ALA . 92.9 t -61.56 -38.2 79.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.396 -0.365 . . . . 73.52 110.723 178.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -57.36 -43.24 83.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 64.11 111.331 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -77.01 -34.21 57.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.738 0.304 . . . . 70.41 111.452 176.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.29 -27.23 54.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.791 -0.64 . . . . 72.03 112.216 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.9 p -50.32 -44.09 54.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.394 -0.366 . . . . 62.44 111.823 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -73.7 -32.64 64.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.37 -0.377 . . . . 55.51 111.585 -177.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 mp -78.87 -25.86 43.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.978 0.418 . . . . 74.32 110.74 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.82 44.46 56.19 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.788 -0.72 . . . . 73.12 112.485 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.9 m -101.33 163.72 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 110.317 -0.253 . . . . 74.21 110.317 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.445 ' HE3' ' HB3' ' A' ' 71' ' ' LYS . 0.6 OUTLIER -116.81 133.89 55.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.749 0.309 . . . . 74.44 110.729 -176.484 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.475 HG22 ' HB2' ' A' ' 7' ' ' TYR . 1.4 pp -119.58 151.32 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.799 -0.445 . . . . 63.32 109.799 173.244 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.469 ' HD3' ' O ' ' A' ' 9' ' ' VAL . 61.6 ttt180 -85.13 120.51 26.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.501 -0.318 . . . . 74.5 111.289 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.465 HG21 ' C ' ' A' ' 111' ' ' SER . 10.8 tp -84.9 139.96 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 107.942 -1.133 . . . . 65.22 107.942 168.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.473 ' H ' HD22 ' A' ' 75' ' ' LEU . 1.5 mm? -83.12 -63.9 1.27 Allowed 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.328 -0.396 . . . . 72.02 111.836 -168.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -142.74 -165.04 1.96 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.263 -0.643 . . . . 74.44 109.263 -177.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -49.54 114.68 1.1 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.38 0.609 . . . . 65.11 109.851 174.512 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -117.9 100.57 7.66 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.743 -0.662 . . . . 74.41 110.915 -173.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.34 -15.04 62.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.032 -0.531 . . . . 73.33 111.006 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -56.4 -49.9 65.98 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.962 -0.563 . . . . 62.03 113.044 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.506 HD12 ' N ' ' A' ' 82' ' ' ALA . 2.7 pp -65.57 -26.87 40.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.903 0.383 . . . . 73.14 111.274 -178.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.506 ' N ' HD12 ' A' ' 81' ' ' ILE . . . -76.41 -38.57 55.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.195 -0.457 . . . . 71.24 110.124 177.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -66.91 -41.89 86.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.855 -0.612 . . . . 74.42 110.754 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -67.1 -40.1 86.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.908 0.385 . . . . 74.43 110.711 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.59 -22.84 65.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.149 -0.478 . . . . 37.65 111.442 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.4 p -117.95 23.15 11.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.152 0.501 . . . . 64.52 110.588 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.13 5.84 84.03 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.831 -0.622 . . . . 61.05 113.53 -175.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -93.6 -59.08 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.646 -0.501 . . . . 75.51 109.646 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -135.3 164.99 26.49 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.04 -0.726 . . . . 74.34 109.04 173.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -64.97 127.09 30.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.253 0.549 . . . . 71.51 111.31 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.5 ' HA ' ' OG1' ' A' ' 96' ' ' THR . . . -105.99 137.99 42.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.833 -0.622 . . . . 60.22 111.152 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -152.06 -57.56 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.453 -0.573 . . . . 74.4 109.453 175.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -142.43 -19.0 0.7 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.326 -0.397 . . . . 74.32 111.267 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -81.02 -164.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.231 0.456 . . . . 70.13 112.231 -172.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -52.32 -29.61 24.32 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.491 0.716 . . . . 70.11 112.289 -174.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.5 ' OG1' ' HA ' ' A' ' 91' ' ' ALA . 1.2 p -59.57 -28.71 67.38 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.97 -0.559 . . . . 62.11 112.278 -179.034 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.444 ' HA ' ' OE1' ' A' ' 97' ' ' GLN . 13.0 mm-40 -70.23 -34.88 73.42 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.173 0.511 . . . . 73.44 110.484 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.79 -33.48 66.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.862 -0.608 . . . . 74.42 109.965 175.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -64.24 -40.58 96.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.431 -0.804 . . . . 75.23 110.158 175.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.9 -36.28 79.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.96 -0.564 . . . . 74.14 110.377 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.427 ' HE3' ' HB2' ' A' ' 101' ' ' LYS . 27.9 ttmt -74.09 -16.62 61.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.796 -0.638 . . . . 63.45 110.518 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.53 -42.06 87.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.352 0.596 . . . . 74.22 109.457 172.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.428 ' HA ' ' CE2' ' A' ' 106' ' ' TYR . 23.8 mmt -70.28 -33.06 71.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.538 -0.755 . . . . 73.11 109.588 176.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.635 ' O ' ' HG2' ' A' ' 107' ' ' ARG . 19.1 t-20 -64.26 -22.65 67.02 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 114.897 -1.047 . . . . 73.2 110.998 178.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.565 ' C ' HE21 ' A' ' 105' ' ' GLN . 0.0 OUTLIER -54.31 -46.71 72.87 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.61 -0.268 . . . . 73.5 110.769 177.635 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.428 ' CE2' ' HA ' ' A' ' 103' ' ' MET . 48.7 p90 -99.46 27.74 5.06 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.486 0.55 . . . . 71.41 112.486 -173.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.635 ' HG2' ' O ' ' A' ' 104' ' ' ASN . 0.5 OUTLIER -68.67 123.63 21.42 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.304 -0.628 . . . . 63.24 109.304 171.144 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 160.71 -28.08 0.31 Allowed Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.079 -0.808 . . . . 63.22 111.079 -175.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.6 mt -60.96 -39.33 81.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 109.366 -0.605 . . . . 73.41 109.366 172.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -110.34 143.7 40.18 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.16 -0.681 . . . . 73.31 109.16 172.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.465 ' C ' HG21 ' A' ' 74' ' ' ILE . 63.1 m -162.24 163.48 28.19 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 107.591 -1.262 . . . . 75.14 107.591 176.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -101.08 136.05 41.55 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.552 -0.859 . . . . 71.12 109.418 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -107.17 103.77 13.24 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.218 -0.901 . . . . 73.41 108.816 -175.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.506 ' H ' ' HG2' ' A' ' 114' ' ' LYS . 9.0 pttt -77.61 78.49 4.12 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.609 0.719 . . . . 74.02 111.638 -172.703 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.9 m -119.43 143.13 31.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.08 -0.963 . . . . 71.1 109.073 175.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -81.11 89.13 5.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.941 0.877 . . . . 60.12 110.869 -176.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.64 99.34 8.1 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.119 -1.4 . . . . 74.24 111.149 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -142.79 41.86 1.57 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.462 -0.79 . . . . 64.55 109.323 174.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.4 m -73.18 -26.91 61.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.232 -0.895 . . . . 64.32 111.606 -176.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 96.7 18.38 30.28 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.611 -0.804 . . . . 37.65 111.241 -175.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -63.69 115.52 4.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.251 -0.475 . . . . 73.0 110.236 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.8 -29.75 70.95 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.17 0.433 . . . . 71.45 112.17 -174.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.626 ' HA ' ' HD2' ' A' ' 126' ' ' TYR . 72.5 m-85 -66.42 -38.68 88.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.211 0.529 . . . . 64.2 109.857 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -72.49 -40.2 67.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.58 -0.736 . . . . 71.31 109.808 174.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.9 -26.26 64.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.091 -0.959 . . . . 54.24 111.587 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.626 ' HD2' ' HA ' ' A' ' 123' ' ' PHE . 8.2 m-85 -49.96 -52.84 30.44 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.261 0.553 . . . . 73.41 110.703 176.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.86 HG23 ' HB2' ' A' ' 25' ' ' ALA . 2.2 t -75.23 -33.13 27.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.209 -0.905 . . . . 73.11 111.231 -171.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.68 -43.0 94.19 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.139 0.495 . . . . 75.51 109.789 175.551 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 59.7 ttp -70.43 -37.27 74.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.686 -0.688 . . . . 52.1 110.883 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.52 ' HG3' ' O ' ' A' ' 126' ' ' TYR . 87.4 mttt -64.82 -31.47 72.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.515 -0.311 . . . . 74.24 111.193 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.92 -38.16 84.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.995 0.426 . . . . 65.34 110.183 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -65.75 -48.18 72.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.817 -0.629 . . . . 74.21 110.619 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.4 p -64.85 -28.99 69.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.164 -0.471 . . . . 65.41 111.193 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.0 -23.29 66.54 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.337 -0.392 . . . . 74.32 111.838 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -90.25 -1.47 57.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.233 0.539 . . . . 74.12 110.171 177.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.9 23.15 42.81 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.737 -0.744 . . . . 73.4 113.087 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.0 mm -66.92 114.24 3.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.752 -0.462 . . . . 64.14 109.752 176.441 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 30.7 mtp85 58.21 54.18 5.99 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.731 0.644 . . . . 72.41 110.886 -175.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -128.84 143.62 50.95 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.774 -0.648 . . . . 72.53 109.785 179.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 10.3 tt -67.74 -30.48 69.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.495 -0.32 . . . . 74.11 110.966 -178.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -80.9 -9.83 59.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.727 0.299 . . . . 41.44 111.471 -176.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -96.0 112.49 24.21 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.211 -0.663 . . . . 72.43 109.211 175.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -107.64 -175.71 2.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.996 0.426 . . . . 74.02 110.782 -173.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -97.74 172.13 7.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.671 -0.863 . . . . 74.44 108.671 173.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -73.32 114.72 11.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.213 0.53 . . . . 74.52 110.229 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -133.24 81.13 1.92 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.553 -0.536 . . . . 73.52 109.553 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 . . . . . 0 C--O 1.244 0.81 0 CA-C-N 115.763 -0.653 . . . . 72.43 109.305 179.07 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptm . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.857 -0.423 . . . . 72.12 109.857 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.4 t70 62.11 29.03 17.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.973 0.892 . . . . 64.14 110.357 -175.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.42 66.34 8.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.038 -0.983 . . . . 63.23 109.259 175.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -100.47 1.95 41.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.757 -1.11 . . . . 73.54 111.252 -173.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.408 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 6.0 p -122.94 113.4 19.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.147 -0.478 . . . . 75.3 110.502 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 5' ' ' THR . 0.5 OUTLIER 44.42 -163.96 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.03 0.932 . . . . 62.23 112.393 -176.825 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -138.6 157.41 46.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.273 -0.421 . . . . 73.25 110.191 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.461 ' HB2' HG12 ' A' ' 27' ' ' VAL . 10.4 m-20 -82.96 131.27 35.19 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.534 -0.543 . . . . 71.13 109.534 175.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.8 t -126.14 126.02 68.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.98 -0.378 . . . . 63.25 109.98 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.601 ' CE2' HG11 ' A' ' 27' ' ' VAL . 21.9 m-85 -110.68 -174.32 2.45 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.582 -0.525 . . . . 71.23 109.582 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.6 m 74.42 86.8 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.887 0.742 . . . . 75.22 110.293 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.595 ' CG ' ' HA ' ' A' ' 117' ' ' ALA . 0.6 OUTLIER -57.49 -38.49 74.66 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.506 -0.77 . . . . 74.31 109.498 177.031 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.81 112.15 0.4 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.987 -1.006 . . . . 70.15 111.065 -177.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.2 m -77.34 84.04 3.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.905 0.383 . . . . 71.31 111.988 -174.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -145.68 145.86 31.06 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.962 -0.385 . . . . 64.51 109.962 171.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p -164.77 140.7 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.98 -0.555 . . . . 72.25 109.999 -177.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.5 m120 61.64 28.09 17.35 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.95 0.352 . . . . 74.31 111.95 178.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.51 -0.44 89.26 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.777 -0.725 . . . . 63.31 113.424 177.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.739 ' HG3' HD13 ' A' ' 135' ' ' LEU . 26.5 pt20 -118.06 149.67 40.6 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.395 -0.473 . . . . 74.32 109.968 178.202 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -139.06 159.88 41.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.131 0.491 . . . . 74.34 111.472 -174.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HB3' HD23 ' A' ' 135' ' ' LEU . . . -139.25 169.67 17.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.116 -0.947 . . . . 54.13 108.967 176.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.43 ' CE2' ' HB3' ' A' ' 38' ' ' ASP . 42.1 p-90 -104.62 130.49 52.62 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.144 -0.622 . . . . 65.55 109.344 176.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.71 160.59 36.58 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.68 -0.691 . . . . 64.41 109.442 -177.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.467 ' HE2' ' HB3' ' A' ' 34' ' ' TYR . 55.4 p90 -163.64 165.3 23.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.991 0.424 . . . . 71.44 110.959 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.01 102.82 3.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.542 -0.753 . . . . 70.44 110.109 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.45 ' HB2' ' HB2' ' A' ' 34' ' ' TYR . 38.5 m-85 -84.81 113.93 21.71 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.173 0.511 . . . . 74.32 109.975 177.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.601 HG11 ' CE2' ' A' ' 10' ' ' TYR . 4.3 p -133.67 146.59 31.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.011 -0.995 . . . . 65.51 110.548 -171.087 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -150.58 135.04 17.19 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.716 -0.476 . . . . 70.4 109.716 174.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.1 t70 69.9 6.71 5.87 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.6 0.714 . . . . 74.43 110.295 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.41 -3.0 61.22 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.894 -0.669 . . . . 65.14 111.79 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -102.49 132.41 48.55 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.736 -0.468 . . . . 65.11 109.736 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -107.18 133.29 52.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.265 0 CA-C-N 115.422 -0.808 . . . . 74.35 110.399 -175.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -111.19 -33.11 6.55 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.794 -0.362 . . . . 61.24 111.509 -176.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.467 ' HB3' ' HE2' ' A' ' 24' ' ' TYR . 76.7 m-85 -114.91 139.07 50.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.537 -0.542 . . . . 71.33 109.537 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -165.74 120.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.31 0.381 . . . . 65.15 110.665 -173.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -171.97 167.93 6.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 36.98 110.432 173.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -155.52 126.42 7.01 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.684 -0.689 . . . . 72.31 110.277 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.43 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 23.3 t70 -146.93 171.8 14.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.329 -0.396 . . . . 71.01 110.107 -177.697 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.697 HG21 ' HE3' ' A' ' 41' ' ' LYS . 16.7 m -84.32 150.89 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.735 0.302 . . . . 73.21 110.952 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.79 120.91 24.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.956 -0.64 . . . . 63.22 112.655 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.697 ' HE3' HG21 ' A' ' 39' ' ' VAL . 11.4 mmpt? -102.58 -168.42 1.52 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.999 0.428 . . . . 74.15 110.344 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -66.59 155.42 88.94 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.616 -0.72 . . . . 71.23 111.333 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.94 -45.0 39.28 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 123.367 2.712 . . . . 64.51 113.12 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.41 -26.01 41.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.202 0.525 . . . . 74.35 110.482 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.582 ' O ' ' HB2' ' A' ' 49' ' ' ARG . . . -75.95 -3.83 37.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.779 -0.646 . . . . 75.12 110.834 178.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.73 -40.22 55.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.95 0.405 . . . . 62.43 110.242 176.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.9 m -85.18 -24.97 27.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.802 -0.635 . . . . 72.45 110.597 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.8 mtm -111.94 75.84 0.94 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.94 -0.573 . . . . 73.1 110.048 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.582 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 26.1 ttp180 -144.15 157.56 44.23 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.502 -0.772 . . . . 72.41 109.997 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -46.14 -44.94 16.23 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.63 0.581 . . . . 53.51 112.242 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.492 HG13 HG13 ' A' ' 55' ' ' ILE . 25.7 t -72.12 -28.02 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.777 -0.647 . . . . 74.54 111.962 -174.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.89 -29.42 41.75 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.734 0.642 . . . . 71.33 112.734 -173.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.53 -45.41 96.33 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.67 -0.776 . . . . 64.23 112.036 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -71.31 -40.01 71.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.948 0.404 . . . . 72.24 110.471 176.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.492 HG13 HG13 ' A' ' 51' ' ' VAL . 76.1 mt -59.45 -37.44 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.935 -0.575 . . . . 72.22 111.035 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.89 -39.08 71.04 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.298 -0.41 . . . . 64.34 111.252 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.52 90.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 73.51 110.817 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.79 -36.48 65.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.952 -0.567 . . . . 74.44 110.54 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.93 -37.86 88.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.804 -0.635 . . . . 74.33 110.28 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -69.35 -30.8 68.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.344 -0.389 . . . . 73.44 110.444 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.71 74.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.114 0.483 . . . . 72.13 109.976 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.42 HG11 ' CD1' ' A' ' 110' ' ' TYR . 86.5 t -62.71 -36.08 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.695 -0.684 . . . . 74.13 110.087 175.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -68.0 -36.84 80.65 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.036 -0.529 . . . . 62.43 109.969 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -62.89 -37.49 87.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.989 -0.551 . . . . 73.43 111.089 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.86 -37.27 83.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.903 0.382 . . . . 62.31 110.246 175.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.551 ' HB2' HG13 ' A' ' 109' ' ' ILE . 39.0 t -65.12 -33.11 75.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.056 -0.52 . . . . 72.0 110.49 176.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.8 -35.53 80.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.909 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.1 mp -82.2 -25.81 33.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 75.13 110.706 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.48 27.31 9.96 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.933 -0.651 . . . . 70.32 112.465 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.8 m -121.99 167.78 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 110.405 -0.22 . . . . 73.44 110.405 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.4 ' HA ' HG22 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -147.02 -175.42 4.81 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.523 -0.547 . . . . 63.03 109.523 179.743 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 22.2 pt -107.27 151.54 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.714 -0.394 . . . . 72.33 110.074 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -128.24 101.63 6.33 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.283 0.564 . . . . 74.52 111.666 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.47 HD12 ' HA ' ' A' ' 112' ' ' PHE . 45.4 pt -115.33 143.03 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 115.388 -0.824 . . . . 72.25 108.881 171.646 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.508 ' H ' HD11 ' A' ' 75' ' ' LEU . 6.7 mp -47.74 111.67 0.46 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.92 0.39 . . . . 62.52 111.597 -177.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.545 ' HE2' HD11 ' A' ' 81' ' ' ILE . 49.3 p-80 -154.58 7.27 0.29 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.986 -0.552 . . . . 63.5 110.484 179.208 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 58.98 -171.52 0.11 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.548 -0.751 . . . . 44.32 112.39 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -108.91 -2.93 17.97 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.224 -0.898 . . . . 75.02 111.345 -175.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.47 -55.16 31.76 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.332 0.493 . . . . 71.31 112.332 -173.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.89 -34.8 90.84 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.891 -0.671 . . . . 53.23 113.35 -176.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.545 HD11 ' HE2' ' A' ' 76' ' ' HIS . 62.0 mt -75.47 -41.73 42.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.86 0.362 . . . . 71.44 110.977 -176.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.59 -39.33 83.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.885 -0.598 . . . . 52.0 112.026 -175.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -42.08 95.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.915 0.388 . . . . 71.13 111.424 -174.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -73.88 -22.59 59.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.372 -0.376 . . . . 75.01 111.369 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.08 -19.76 31.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.378 -0.374 . . . . 71.35 110.871 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.5 p -93.88 -38.33 11.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.691 0.281 . . . . 75.35 110.566 176.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.38 103.48 2.46 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.69 -0.767 . . . . 74.0 113.002 174.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -67.72 -39.98 84.25 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.342 0.592 . . . . 73.14 110.374 175.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -103.68 174.45 5.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.3 -0.864 . . . . 70.14 109.898 -175.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.407 ' HE3' ' HB2' ' A' ' 90' ' ' LYS . 45.4 mtmt -71.78 112.62 8.04 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.057 -0.72 . . . . 71.52 109.057 173.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -96.75 86.72 4.13 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.465 -0.494 . . . . 74.01 111.879 -172.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.808 ' HB3' ' HG1' ' A' ' 96' ' ' THR . 57.8 tptt 44.35 84.7 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 O-C-N 124.474 1.108 . . . . 51.33 112.623 172.688 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 63.55 13.31 7.14 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.039 -0.528 . . . . 55.11 110.749 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 61.65 6.46 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.191 -0.913 . . . . 75.42 111.914 -176.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -72.48 -42.25 65.11 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.501 -0.925 . . . . 64.1 108.501 172.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.808 ' HG1' ' HB3' ' A' ' 92' ' ' LYS . 23.3 m -71.34 -28.02 63.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.886 -1.052 . . . . 74.43 110.321 178.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -56.24 -48.18 77.02 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.868 0.366 . . . . 71.31 110.686 175.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.57 -33.21 68.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.275 0.56 . . . . 71.45 110.559 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.438 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 18.6 t80 -66.86 -34.44 77.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.633 -0.712 . . . . 74.41 110.767 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.64 -30.29 54.72 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.061 0.544 . . . . 53.44 111.817 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -54.56 -41.13 69.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 74.35 110.915 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.17 -26.67 12.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.015 -0.539 . . . . 74.51 110.812 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.648 ' O ' ' HG2' ' A' ' 107' ' ' ARG . 1.2 tmt? -67.58 -50.84 56.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.458 -0.337 . . . . 62.32 110.303 -176.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -74.99 -22.43 58.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.406 0.622 . . . . 75.45 109.951 -177.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -57.72 -41.05 80.99 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.081 -0.963 . . . . 64.33 111.423 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -85.33 -32.68 22.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.12 -0.491 . . . . 74.03 111.423 -177.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.648 ' HG2' ' O ' ' A' ' 103' ' ' MET . 15.3 mmt180 -73.34 157.69 36.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.718 0.294 . . . . 73.02 110.394 -177.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.51 78.45 1.08 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.5 -0.857 . . . . 60.4 111.789 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.551 HG13 ' HB2' ' A' ' 66' ' ' SER . 48.9 mm -79.79 -29.78 13.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.217 0.532 . . . . 70.42 110.341 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.42 ' CD1' HG11 ' A' ' 62' ' ' VAL . 1.5 p90 -140.42 147.63 39.98 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.13 -0.486 . . . . 74.51 110.21 178.541 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.9 m -155.75 156.93 35.69 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.902 -0.777 . . . . 73.23 108.902 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.47 ' HA ' HD12 ' A' ' 74' ' ' ILE . 85.8 m-85 -122.65 138.92 54.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.959 0.409 . . . . 64.42 110.896 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.52 148.33 45.9 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.241 -1.022 . . . . 75.54 108.241 175.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.76 91.44 6.07 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 121.325 0.583 . . . . 62.44 112.372 -171.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.3 t -102.52 157.96 4.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.465 -1.309 . . . . 71.12 107.465 170.545 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.418 ' O ' ' HD2' ' A' ' 118' ' ' HIS . 43.5 tttm -81.37 137.49 35.71 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 119.268 -0.973 . . . . 64.51 110.485 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.595 ' HA ' ' CG ' ' A' ' 12' ' ' ASP . . . -56.32 106.38 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 72.13 112.069 -176.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . 0.418 ' HD2' ' O ' ' A' ' 116' ' ' LYS . 13.5 p80 -143.05 7.03 1.59 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.341 -0.39 . . . . 73.34 111.573 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 71.9 m -58.42 -31.54 67.82 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 111.72 0.267 . . . . 73.22 111.72 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.31 45.51 11.25 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.609 -0.805 . . . . 52.3 112.531 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . 0.475 ' HB3' ' HB2' ' A' ' 124' ' ' ASN . 26.8 t-20 -116.27 146.75 42.14 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.899 -0.408 . . . . 74.01 109.899 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -60.79 -46.94 88.56 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 123.267 0.355 . . . . 64.33 111.852 -175.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -71.38 -27.99 63.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.433 0.635 . . . . 71.12 109.93 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.475 ' HB2' ' HB3' ' A' ' 121' ' ' ASN . 66.8 t30 -70.13 -44.67 68.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.228 -0.896 . . . . 72.4 110.419 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -69.35 -27.02 64.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.042 -0.526 . . . . 75.33 110.694 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.427 ' O ' ' HG2' ' A' ' 129' ' ' MET . 36.9 t80 -67.01 -42.07 85.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.661 -0.7 . . . . 74.44 110.952 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 13.2 p -75.14 -29.03 21.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.815 -0.354 . . . . 62.42 110.43 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -68.34 -45.97 71.45 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.56 -0.291 . . . . 74.35 111.037 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.427 ' HG2' ' O ' ' A' ' 126' ' ' TYR . 22.3 ptp -61.91 -32.66 73.07 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.91 0.386 . . . . 51.3 110.175 178.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -69.1 -43.08 75.19 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.133 -0.485 . . . . 64.04 110.289 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.87 98.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 60.55 110.807 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -56.98 -50.86 71.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.11 0.481 . . . . 71.23 110.651 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.0 m -61.49 -36.91 81.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.691 -0.686 . . . . 72.44 111.145 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.49 -26.88 66.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 71.13 111.322 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.739 HD13 ' HG3' ' A' ' 19' ' ' GLN . 95.5 mt -87.07 -18.13 31.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.904 0.383 . . . . 75.15 110.544 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 106.12 23.17 7.49 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.42 -0.895 . . . . 72.02 112.748 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 43.6 mm -78.79 138.45 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.869 -0.419 . . . . 74.31 109.869 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.777 ' HG2' ' H ' ' A' ' 139' ' ' ASP . 46.9 ttt180 70.58 -172.1 0.17 Allowed 'General case' 0 CA--C 1.536 0.41 0 O-C-N 123.661 0.6 . . . . 74.11 109.971 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.777 ' H ' ' HG2' ' A' ' 138' ' ' ARG . 30.3 t0 -75.29 164.19 26.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.902 0.382 . . . . 73.35 111.081 -176.651 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.61 23.19 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.978 -0.555 . . . . 70.44 112.299 -175.464 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.24 -25.93 68.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.112 0.482 . . . . 71.22 110.569 176.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -82.66 135.23 35.09 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.936 -0.764 . . . . 72.33 108.936 175.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -66.5 105.66 1.55 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.788 -0.449 . . . . 61.3 109.788 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -92.16 101.16 13.67 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.004 -0.543 . . . . 74.23 110.171 -174.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -58.16 134.54 56.58 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.12 -0.491 . . . . 65.24 110.196 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -92.05 -56.86 2.91 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.666 -0.865 . . . . 70.54 108.666 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.354 -0.831 . . . . 72.42 109.779 173.958 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.2 mtt . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.716 0.294 . . . . 70.12 110.325 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -91.26 130.82 37.09 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.226 -0.657 . . . . 62.43 109.226 172.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.764 ' HB3' ' HB2' ' A' ' 29' ' ' ASP . 7.3 p-10 -116.51 10.38 14.52 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.07 -0.514 . . . . 74.2 110.668 -176.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.445 HH11 ' HD3' ' A' ' 4' ' ' ARG . 43.7 mtp180 -108.34 3.55 23.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.183 -0.462 . . . . 73.02 111.068 -172.054 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.75 100.64 10.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.114 -0.494 . . . . 70.54 110.616 177.629 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.53 ' HA ' ' HB ' ' A' ' 70' ' ' VAL . 31.3 mt-10 60.44 -163.97 0.24 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.534 -0.757 . . . . 71.41 110.066 -174.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -118.37 163.67 16.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.658 0.742 . . . . 72.33 112.232 -177.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -126.54 112.19 15.25 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.738 -1.119 . . . . 73.55 108.736 168.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.1 t -131.1 136.59 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 122.323 -0.235 . . . . 74.44 110.416 -176.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -127.97 143.5 51.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.056 0.455 . . . . 75.51 110.968 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.1 t -147.96 21.22 1.12 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.716 -0.846 . . . . 73.03 108.716 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.467 ' OD2' ' HB1' ' A' ' 117' ' ' ALA . 12.5 t70 -65.23 105.06 1.02 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 114.899 -1.046 . . . . 74.5 110.393 -175.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.2 177.16 25.67 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.849 -0.691 . . . . 75.22 112.083 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.3 m -133.09 130.65 39.59 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.64 0.257 . . . . 72.14 110.962 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -80.46 157.84 26.08 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.263 -0.643 . . . . 73.14 109.263 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.75 117.12 51.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.144 0.497 . . . . 63.05 111.154 -177.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.4 m120 55.9 29.48 14.24 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.683 -0.69 . . . . 75.43 112.29 175.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.79 -15.94 62.31 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.518 -0.848 . . . . 61.13 112.625 178.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -77.61 126.27 30.63 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.424 -0.584 . . . . 73.54 109.424 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -134.45 147.38 50.4 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.091 0.472 . . . . 74.21 110.676 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.42 136.39 43.25 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.318 -0.993 . . . . 73.44 108.318 172.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 30.4 p-90 -82.99 130.01 35.1 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.445 -0.576 . . . . 75.22 109.445 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.42 ' HB3' ' HA ' ' A' ' 37' ' ' ALA . . . -166.44 135.28 2.97 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.576 -0.738 . . . . 73.02 110.159 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -148.04 -179.63 7.06 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.717 -0.674 . . . . 72.21 109.549 174.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.427 ' HA ' ' HA ' ' A' ' 35' ' ' GLU . . . -142.11 135.28 28.94 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.427 -0.351 . . . . 72.31 110.115 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.738 ' HB2' ' HB2' ' A' ' 34' ' ' TYR . 91.6 m-85 -84.18 97.29 9.3 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 108.906 -0.775 . . . . 75.24 108.906 176.614 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -90.32 146.57 6.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 114.759 -1.11 . . . . 73.14 108.649 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.604 ' CD ' ' HB2' ' A' ' 3' ' ' ASP . 1.4 tppm? -139.41 106.49 5.46 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.833 -0.432 . . . . 53.24 109.833 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.764 ' HB2' ' HB3' ' A' ' 3' ' ' ASP . 31.9 t70 67.1 22.98 9.74 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.123 -0.944 . . . . 71.23 110.199 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.56 -5.18 62.24 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.728 -0.749 . . . . 75.43 112.727 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -101.52 140.07 36.31 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.668 -0.493 . . . . 74.11 109.668 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.1 t -98.81 110.9 27.12 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 116.543 -0.299 . . . . 71.5 110.265 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -105.91 -24.1 12.52 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.738 -0.385 . . . . 71.45 110.851 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.738 ' HB2' ' HB2' ' A' ' 26' ' ' PHE . 44.1 m-85 -137.75 148.56 45.7 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.859 -0.422 . . . . 73.53 109.859 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.427 ' HA ' ' HA ' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -160.04 154.91 24.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.633 0.254 . . . . 73.51 110.923 178.289 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.414 ' OD2' ' HA ' ' A' ' 23' ' ' ALA . 4.6 p-10 -135.05 174.07 11.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.099 -0.501 . . . . 73.34 109.868 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.42 ' HA ' ' HB3' ' A' ' 23' ' ' ALA . . . 179.88 119.37 0.06 Allowed 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.848 0.717 . . . . 70.44 110.656 174.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -161.74 167.88 24.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.738 0.304 . . . . 75.44 110.637 175.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.7 m -92.95 -178.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.493 -0.322 . . . . 74.14 110.478 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.0 84.67 0.48 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.72 -0.752 . . . . 65.24 112.345 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm -106.41 -168.52 1.43 Allowed 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 110.017 -0.364 . . . . 73.2 110.017 178.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -95.39 154.86 39.27 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 116.263 -0.426 . . . . 71.05 110.807 -175.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.617 ' HA ' ' HB2' ' A' ' 46' ' ' ALA . 78.2 Cg_exo -52.24 -28.56 34.56 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.491 2.794 . . . . 62.41 113.082 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.57 -41.73 81.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 71.4 110.75 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.68 -28.46 20.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.825 -0.625 . . . . 72.14 110.671 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.617 ' HB2' ' HA ' ' A' ' 43' ' ' PRO . . . -65.6 -15.46 62.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.766 -0.652 . . . . 70.45 111.266 178.531 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.2 m -60.59 -39.13 86.95 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.124 -0.489 . . . . 74.2 110.285 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.457 ' HB2' ' HB2' ' A' ' 52' ' ' ALA . 26.3 mmt 71.35 115.92 0.05 OUTLIER 'General case' 0 C--N 1.34 0.174 0 CA-C-O 121.559 0.695 . . . . 65.35 111.663 175.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -97.31 -0.28 46.79 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.93 -0.577 . . . . 71.34 110.941 176.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -124.72 -59.72 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.318 -0.401 . . . . 74.3 110.78 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.7 t -64.71 -29.37 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.69 -0.686 . . . . 74.42 111.552 -175.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.457 ' HB2' ' HB2' ' A' ' 48' ' ' MET . . . -63.66 -19.08 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 71.43 111.711 -176.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.93 -45.07 96.5 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.04 -0.824 . . . . 54.44 111.04 174.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.526 ' HB3' ' HD1' ' A' ' 34' ' ' TYR . 10.0 mp0 -71.23 -37.93 71.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.233 0.54 . . . . 73.02 110.132 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 51.1 mm -65.07 -39.91 87.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.671 -0.695 . . . . 72.43 110.919 -178.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.32 -33.32 72.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.424 -0.353 . . . . 71.52 111.348 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.21 84.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.031 0.443 . . . . 72.41 110.558 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.47 -25.09 50.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.078 -0.51 . . . . 61.2 111.078 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 tt -53.3 -58.57 6.62 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.126 -0.488 . . . . 74.53 110.869 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.511 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 29.4 m-85 -69.34 -28.28 66.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.451 -0.341 . . . . 63.42 111.61 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.411 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . . . -63.39 -48.16 79.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 71.31 110.264 177.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.401 HG13 ' CE2' ' A' ' 110' ' ' TYR . 91.7 t -71.26 -35.49 58.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.779 -0.646 . . . . 73.45 110.724 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -58.43 -49.19 78.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 63.0 110.735 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 60' ' ' TYR . 57.4 pttt -75.55 -27.54 58.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.63 -0.259 . . . . 72.14 111.195 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.447 ' HB3' HG23 ' A' ' 70' ' ' VAL . . . -53.47 -35.17 60.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.984 0.421 . . . . 65.04 111.13 177.45 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.1 t -62.01 -36.27 81.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.789 -0.642 . . . . 72.32 110.688 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.29 -38.79 55.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.385 -0.37 . . . . 75.13 110.511 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.29 -25.31 65.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 75.42 110.782 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.45 33.8 7.82 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 121.013 -0.613 . . . . 72.23 112.546 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.53 ' HB ' ' HA ' ' A' ' 6' ' ' GLU . 18.0 m -122.74 135.51 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.871 0.367 . . . . 70.1 110.516 178.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -152.67 176.36 11.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.073 -0.512 . . . . 72.2 110.237 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.448 HD12 HG13 ' A' ' 74' ' ' ILE . 2.1 pp -132.25 178.31 5.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.319 -0.4 . . . . 62.34 111.074 175.599 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -135.47 107.22 7.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.33 -0.396 . . . . 72.15 110.331 173.013 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.693 ' HB ' ' O ' ' A' ' 111' ' ' SER . 57.7 mt -89.69 125.54 42.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.337 -0.986 . . . . 71.52 108.337 174.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.614 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 2.0 pp 48.72 -154.46 0.09 Allowed 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.728 0.642 . . . . 73.53 111.05 -175.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.407 ' H ' ' HB2' ' A' ' 75' ' ' LEU . 50.9 m80 -98.16 125.03 43.01 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.994 -0.441 . . . . 73.23 111.028 -177.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -61.25 136.69 58.14 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.3 -0.409 . . . . 37.5 110.513 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -100.93 -173.45 2.38 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.474 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.08 -26.05 47.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.37 -0.377 . . . . 72.44 111.922 -173.179 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -60.27 -36.12 90.0 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 121.191 -0.528 . . . . 37.5 113.02 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.33 -49.45 84.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.029 0.442 . . . . 72.32 111.371 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -94.87 10.73 34.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.019 -0.537 . . . . 73.45 111.993 -178.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -56.6 -48.99 76.23 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.014 0.435 . . . . 71.22 111.658 -173.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 9.5 m-90 -66.51 -27.62 67.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.211 -0.449 . . . . 74.42 111.121 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.76 -17.09 36.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.906 -0.588 . . . . 75.13 111.563 -175.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.2 p -81.39 -0.05 39.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.8 0.333 . . . . 73.14 111.466 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 107.51 91.04 2.18 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.387 -0.911 . . . . 70.43 112.981 175.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -72.61 -18.14 61.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.382 0.61 . . . . 74.5 109.737 173.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 -145.89 155.03 42.6 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.181 -1.044 . . . . 74.25 108.181 176.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -68.04 112.42 5.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.407 0.622 . . . . 74.43 110.685 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.434 ' HB3' HG22 ' A' ' 96' ' ' THR . . . -94.71 100.86 12.71 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.152 -0.931 . . . . 71.43 110.651 -177.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -137.86 36.61 2.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.342 0.591 . . . . 60.11 111.084 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -113.77 -77.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.748 -0.66 . . . . 60.33 109.658 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -178.53 -71.04 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.867 -0.606 . . . . 54.42 110.21 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -55.92 -39.02 71.05 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.892 -0.595 . . . . 75.53 112.013 -176.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.434 HG22 ' HB3' ' A' ' 91' ' ' ALA . 2.5 t -63.81 -42.51 97.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.287 -0.415 . . . . 61.22 111.574 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -68.49 -43.13 77.53 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.761 0.315 . . . . 75.25 110.671 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.468 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -58.63 -46.95 85.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.816 -0.629 . . . . 45.15 110.726 178.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -67.93 -35.8 79.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.292 -0.413 . . . . 62.31 110.847 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.66 -43.21 97.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.245 0.545 . . . . 51.41 110.586 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -67.79 -32.68 73.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.55 -0.75 . . . . 73.41 109.99 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 98' ' ' ALA . 90.3 mt -67.6 -41.7 83.62 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.842 -0.617 . . . . 74.11 110.307 174.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.567 ' HA ' ' CZ ' ' A' ' 106' ' ' TYR . 39.5 ttm -61.42 -37.44 83.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.26 0.552 . . . . 72.12 110.06 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.664 ' HA ' ' HG2' ' A' ' 107' ' ' ARG . 63.6 t30 -65.89 -32.16 73.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.247 -0.888 . . . . 70.23 111.048 179.098 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -45.94 82.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.956 -0.565 . . . . 55.15 111.108 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.567 ' CZ ' ' HA ' ' A' ' 103' ' ' MET . 29.5 p90 -101.06 23.56 10.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.654 0.264 . . . . 71.34 111.67 -177.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.664 ' HG2' ' HA ' ' A' ' 104' ' ' ASN . 3.3 mmp_? -70.46 115.74 9.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.937 0.398 . . . . 73.42 111.206 179.114 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 64.6 84.19 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.168 -0.924 . . . . 70.11 113.646 172.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.564 HD13 ' H ' ' A' ' 109' ' ' ILE . 4.0 mp -66.85 -36.69 77.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 107.463 -1.31 . . . . 75.15 107.463 170.056 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.401 ' CE2' HG13 ' A' ' 62' ' ' VAL . 48.2 p90 -131.59 146.17 52.07 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.038 -1.437 . . . . 75.35 108.65 169.581 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.693 ' O ' ' HB ' ' A' ' 74' ' ' ILE . 6.8 p -137.63 142.34 41.21 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 110.13 -0.322 . . . . 62.12 110.13 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -154.88 141.5 18.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.125 0.488 . . . . 74.4 110.904 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -147.82 150.35 34.02 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.126 -1.064 . . . . 70.22 108.126 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.401 ' HD3' ' H ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -75.63 90.38 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.962 0.887 . . . . 74.21 112.153 -176.101 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.96 143.63 35.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 114.288 -1.324 . . . . 60.02 108.522 173.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -65.41 156.98 30.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.384 0.612 . . . . 75.32 112.002 -173.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.467 ' HB1' ' OD2' ' A' ' 12' ' ' ASP . . . -145.07 145.06 31.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.438 -0.801 . . . . 65.23 109.661 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -145.72 44.96 1.28 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.123 0.416 . . . . 75.42 112.123 -174.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.9 m -63.0 -33.02 74.52 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.071 -0.393 . . . . 64.23 111.168 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 64.59 56.56 16.43 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.913 -0.661 . . . . 73.4 113.294 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -112.11 179.08 4.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.43 -0.582 . . . . 71.35 109.43 176.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.19 -29.77 65.91 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.94 0.4 . . . . 74.22 111.159 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -66.47 -26.46 67.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.986 -0.552 . . . . 74.53 111.431 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.524 ' HA ' HG11 ' A' ' 127' ' ' VAL . 10.1 m120 -63.23 -33.3 75.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.328 . . . . 72.2 110.971 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.28 -40.93 96.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.003 -0.544 . . . . 73.53 109.772 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.472 ' O ' ' HB2' ' A' ' 130' ' ' LYS . 70.4 t80 -70.57 -49.79 44.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.064 -0.971 . . . . 74.11 110.987 -178.109 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.524 HG11 ' HA ' ' A' ' 124' ' ' ASN . 14.4 p -71.24 -34.8 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.413 -0.358 . . . . 63.44 111.769 -175.429 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.674 ' O ' ' HG2' ' A' ' 132' ' ' LYS . 8.8 t70 -59.48 -56.25 24.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.619 0.247 . . . . 71.1 111.244 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 26.9 ptm -66.82 -31.38 71.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.997 0.427 . . . . 74.11 110.408 -178.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 126' ' ' TYR . 4.0 tmtp? -62.37 -48.22 80.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.908 -0.587 . . . . 75.14 109.946 178.226 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.32 85.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 51.23 111.086 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.761 ' HB3' ' HB ' ' A' ' 137' ' ' ILE . 33.2 mmtp -61.3 -32.54 72.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.424 -0.353 . . . . 74.4 110.872 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.3 t -64.42 -34.91 79.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.416 -0.356 . . . . 72.52 110.519 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -76.75 -21.57 55.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.089 0.471 . . . . 72.13 110.818 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 95.8 mt -93.91 -2.84 52.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.961 -0.563 . . . . 73.41 110.277 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 77.17 23.96 67.36 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.627 -0.715 . . . . 72.1 112.815 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.761 ' HB ' ' HB3' ' A' ' 132' ' ' LYS . 50.7 mm -76.81 134.31 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.748 0.309 . . . . 75.33 110.34 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.451 ' HD2' ' N ' ' A' ' 138' ' ' ARG . 6.1 mpt_? -90.3 170.79 9.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.108 0.48 . . . . 70.21 111.153 -177.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 55.23 67.8 0.96 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.635 -1.166 . . . . 72.03 111.548 -176.709 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 85.1 mt -96.86 -38.68 9.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.705 -1.134 . . . . 62.13 108.249 168.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.4 13.68 11.27 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.533 -1.667 . . . . 73.41 110.371 -178.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -81.56 88.04 6.22 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.081 0.467 . . . . 74.24 110.102 -175.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -142.06 -68.14 0.38 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.684 -0.689 . . . . 75.42 109.366 174.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 63.05 -178.54 0.15 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.239 -0.891 . . . . 75.01 111.503 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 57.2 m80 -142.54 108.75 5.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.39 -0.368 . . . . 74.04 110.442 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -137.79 131.9 31.88 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.355 -0.384 . . . . 73.44 110.372 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 66.9 m80 . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.447 -0.787 . . . . 71.54 109.693 179.241 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.7 mtp . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.891 0.377 . . . . 72.25 110.588 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -87.02 45.1 1.23 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 122.027 0.918 . . . . 64.4 108.692 171.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 1.041 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 2.7 p-10 -149.52 121.84 8.43 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.433 -1.258 . . . . 74.24 108.594 -171.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.723 ' HA ' ' HH ' ' A' ' 7' ' ' TYR . 22.5 ptt180 -139.51 -24.69 0.85 Allowed 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.928 0.714 . . . . 73.21 112.928 -172.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.75 95.25 6.58 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 113.347 0.869 . . . . 74.41 113.347 -165.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 43.13 90.39 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.446 1.091 . . . . 73.03 112.445 169.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.723 ' HH ' ' HA ' ' A' ' 4' ' ' ARG . 22.4 m-85 -72.31 127.88 33.93 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.049 -0.523 . . . . 72.31 110.618 -172.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -110.42 100.17 9.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.027 -0.533 . . . . 64.31 109.737 -176.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.456 ' HB ' ' O ' ' A' ' 73' ' ' ARG . 76.8 t -96.8 112.14 28.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.008 -0.542 . . . . 74.23 110.193 -178.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.453 ' HA ' ' HB2' ' A' ' 75' ' ' LEU . 45.4 p90 -143.33 150.97 39.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.049 -0.523 . . . . 74.01 110.374 -178.142 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.456 HG23 HG23 ' A' ' 127' ' ' VAL . 37.9 m -146.91 86.2 1.64 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.406 0.622 . . . . 71.11 110.07 175.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -115.5 99.47 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.628 -0.714 . . . . 72.31 109.127 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.87 97.16 0.19 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.024 -0.83 . . . . 64.22 111.024 -176.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.502 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 10.1 p -159.67 18.24 0.16 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.829 0.347 . . . . 72.12 111.483 -175.265 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.798 ' HB3' ' HD1' ' A' ' 20' ' ' TYR . 22.1 p90 -145.11 131.0 19.15 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.303 0.573 . . . . 74.23 110.731 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.62 HG22 HD21 ' A' ' 17' ' ' ASN . 8.1 p -154.73 136.38 5.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.737 -0.665 . . . . 73.21 110.069 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.62 HD21 HG22 ' A' ' 16' ' ' VAL . 40.5 m-80 59.24 28.57 17.93 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.343 -0.389 . . . . 74.54 111.328 -178.281 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.83 -2.85 86.94 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.895 -0.669 . . . . 54.44 112.4 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.469 ' HB3' HD23 ' A' ' 135' ' ' LEU . 51.3 mt-30 -94.42 132.7 38.78 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.833 -0.432 . . . . 72.41 109.833 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.798 ' HD1' ' HB3' ' A' ' 15' ' ' TYR . 86.9 t80 -131.6 134.12 45.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.95 0.405 . . . . 73.33 111.177 -174.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.502 ' O ' ' HB2' ' A' ' 14' ' ' SER . . . -152.51 133.63 14.24 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.61 -0.885 . . . . 72.53 108.61 176.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 48.7 p-90 -82.54 144.3 30.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.51 0.672 . . . . 73.32 111.004 -173.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -146.98 168.54 21.26 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.045 -0.98 . . . . 74.44 109.21 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -145.74 136.67 24.54 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.026 0.441 . . . . 74.53 110.699 177.016 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.78 112.59 14.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.571 -0.741 . . . . 75.13 109.786 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.477 ' CE1' HD12 ' A' ' 55' ' ' ILE . 31.9 m-85 -94.85 97.79 10.27 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.291 0.567 . . . . 75.31 110.448 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 p -97.7 115.04 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 115.075 -0.966 . . . . 42.22 109.749 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -102.95 101.46 11.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.386 -0.825 . . . . 72.01 109.561 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 1.041 ' HB3' ' HB2' ' A' ' 3' ' ' ASP . 37.5 t0 45.61 49.22 11.12 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.366 -0.834 . . . . 73.42 111.403 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.78 -19.35 54.94 Favored Glycine 0 CA--C 1.52 0.379 0 CA-C-N 115.739 -0.664 . . . . 75.03 113.46 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -94.62 126.4 39.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.226 0.513 . . . . 74.41 110.747 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.2 t -87.46 98.26 7.25 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 N-CA-C 109.288 -0.634 . . . . 74.41 109.288 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -85.63 -30.55 23.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.266 -0.425 . . . . 73.13 110.701 -175.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -144.57 141.17 29.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.059 0.457 . . . . 72.21 111.596 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -152.57 120.52 6.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.76 -1.109 . . . . 54.21 108.165 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.554 ' HB3' HG13 ' A' ' 51' ' ' VAL . 1.9 t0 -160.73 165.79 29.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.808 0.337 . . . . 64.05 110.646 -175.43 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.67 155.57 40.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.104 -0.498 . . . . 65.2 110.195 -175.697 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -148.57 167.28 25.83 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.978 -0.379 . . . . 74.03 109.978 179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 20.4 m -108.74 156.72 9.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.247 -0.433 . . . . 74.4 110.132 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.73 67.66 1.35 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.507 -0.854 . . . . 65.4 111.973 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -84.46 88.65 7.3 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.511 -0.552 . . . . 62.42 109.511 178.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -141.96 152.36 61.79 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.633 -0.712 . . . . 71.52 109.677 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -63.14 -24.29 72.98 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.659 2.239 . . . . 71.34 112.126 175.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.49 -26.74 68.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.381 -0.372 . . . . 63.23 111.1 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.503 ' O ' ' HG3' ' A' ' 49' ' ' ARG . . . -91.5 7.32 41.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.067 -0.515 . . . . 74.43 111.45 -177.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.498 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . . . -47.88 -43.23 28.41 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.459 0.911 . . . . 75.44 113.459 -174.503 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 m -93.56 -28.97 15.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.914 0.387 . . . . 74.53 110.977 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.9 ptp -95.68 66.12 2.68 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.529 0.681 . . . . 74.43 111.415 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.503 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 80.2 mtt180 -115.42 126.44 54.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.549 -0.751 . . . . 75.52 109.824 176.339 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -68.71 -40.57 79.92 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.88 0.372 . . . . 75.11 110.359 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.554 HG13 ' HB3' ' A' ' 36' ' ' ASP . 47.7 t -60.58 -30.56 47.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.666 -0.697 . . . . 73.14 111.275 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.17 -23.09 61.92 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.278 -0.419 . . . . 74.33 111.987 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.0 -51.91 51.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 71.52 111.625 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -71.36 -35.58 71.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.798 0.332 . . . . 72.21 111.17 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.526 HG12 ' O ' ' A' ' 51' ' ' VAL . 46.2 mm -63.32 -30.38 49.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 73.34 111.14 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.12 -29.06 70.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 71.1 111.581 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.65 -27.53 63.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.055 0.455 . . . . 74.12 110.965 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.65 -21.86 54.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 64.32 110.771 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.93 -30.97 71.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.863 -0.608 . . . . 71.31 111.034 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -60.29 -35.86 76.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.54 111.178 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.94 -35.95 77.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 63.11 110.219 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.94 -39.07 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.781 -0.645 . . . . 64.13 110.151 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -63.79 -38.23 90.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.773 -0.649 . . . . 73.14 110.454 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.606 ' HA ' HE21 ' A' ' 67' ' ' GLN . 88.5 mttt -75.14 -29.15 60.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.627 -0.261 . . . . 74.21 111.06 176.652 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.78 -35.61 76.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.861 0.362 . . . . 53.0 111.105 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.502 ' HB2' ' CD1' ' A' ' 109' ' ' ILE . 33.1 t -62.63 -37.57 86.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 73.42 110.212 176.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . 0.606 HE21 ' HA ' ' A' ' 64' ' ' LYS . 46.8 mt-30 -73.89 -48.3 31.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.643 -0.708 . . . . 50.12 111.161 -178.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.42 -26.06 65.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.043 -0.526 . . . . 65.32 111.314 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.8 10.55 58.78 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.646 -0.788 . . . . 63.12 112.857 177.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.9 m -86.7 150.5 3.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 110.237 -0.283 . . . . 70.23 110.237 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.478 ' HD2' ' O ' ' A' ' 108' ' ' GLY . 70.2 mmtt -116.24 144.22 44.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.378 -0.374 . . . . 70.42 110.767 -173.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.644 HG22 ' HB2' ' A' ' 7' ' ' TYR . 17.1 pt -127.7 154.05 37.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.297 -0.41 . . . . 71.0 110.887 178.227 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.456 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 4.4 mpt_? -97.65 135.06 40.0 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.254 -0.647 . . . . 62.24 109.254 172.052 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.684 HG23 ' HB2' ' A' ' 76' ' ' HIS . 35.1 mm -116.64 113.91 44.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.896 0.379 . . . . 71.12 110.738 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.453 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 1.1 tm? -81.99 96.03 7.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.463 -0.94 . . . . 74.3 108.463 173.136 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.684 ' HB2' HG23 ' A' ' 74' ' ' ILE . 13.2 t-80 -134.32 169.67 16.87 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.291 -0.413 . . . . 74.3 109.969 -173.458 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -66.17 147.09 53.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.419 -0.355 . . . . 70.21 110.41 176.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -88.72 -1.1 57.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.966 0.728 . . . . 72.22 112.966 -170.509 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.83 -20.01 26.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.091 -0.38 . . . . 74.44 111.031 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.426 ' O ' ' HD1' ' A' ' 84' ' ' TRP . . . -71.65 -36.92 61.97 Favored Glycine 0 CA--C 1.518 0.247 0 CA-C-N 115.986 -0.552 . . . . 72.33 113.276 -176.27 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.5 tt -57.06 -42.72 79.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 116.836 0.318 . . . . 74.42 111.759 -176.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.48 -22.14 54.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.954 0.407 . . . . 52.45 110.808 -178.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.419 ' HD2' ' HB3' ' A' ' 88' ' ' GLU . 4.4 t80 -73.72 -41.79 62.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.895 -0.593 . . . . 74.31 110.174 -177.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.426 ' HD1' ' O ' ' A' ' 80' ' ' GLY . 88.6 m95 -70.54 -46.32 63.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 64.14 111.526 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.37 -5.01 36.99 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.478 0.547 . . . . 73.03 112.478 -172.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.7 p -112.54 3.62 16.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.983 0.421 . . . . 74.35 110.456 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.85 99.08 0.43 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.905 -0.665 . . . . 74.52 112.356 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.419 ' HB3' ' HD2' ' A' ' 83' ' ' PHE . 10.0 pt-20 -72.89 -28.33 62.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.119 0.485 . . . . 75.13 110.73 176.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -97.65 -177.65 3.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.876 -0.602 . . . . 72.22 109.535 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 1.019 ' HE3' ' HA ' ' A' ' 90' ' ' LYS . 0.5 OUTLIER -67.03 114.77 6.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.196 0.522 . . . . 72.41 111.169 -173.728 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.2 133.67 35.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.629 -0.714 . . . . 65.11 111.319 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -73.11 154.32 40.43 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.7 -0.852 . . . . 75.45 108.7 173.252 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -47.68 -45.72 28.62 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.911 0.708 . . . . 71.43 112.911 -171.302 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -123.46 -43.63 2.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.195 -0.315 . . . . 74.25 111.258 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -52.66 -57.54 9.73 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.649 0.611 . . . . 74.41 112.649 -172.615 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.7 m -71.49 -37.82 71.23 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.854 -0.339 . . . . 65.14 111.14 -177.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -56.22 -41.48 75.73 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.992 0.425 . . . . 72.13 111.34 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.43 -41.79 55.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.02 -0.536 . . . . 73.11 110.956 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -63.49 -41.86 98.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.485 . . . . 65.21 111.354 -177.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.86 -33.12 74.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.022 0.439 . . . . 72.13 110.683 178.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.782 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 0.9 OUTLIER -70.74 -35.25 72.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.832 -0.622 . . . . 74.35 110.431 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.3 mt -101.05 13.23 35.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.997 -0.547 . . . . 52.11 111.293 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 21.0 ttt -70.55 -31.08 67.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.072 0.463 . . . . 71.15 109.949 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -58.56 -32.15 68.64 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.206 -0.906 . . . . 63.01 110.902 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.02 -47.56 84.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.637 -0.711 . . . . 74.21 111.11 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -84.58 -39.0 19.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 71.43 110.985 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -68.1 114.75 6.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.023 0.439 . . . . 73.1 110.459 -178.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.478 ' O ' ' HD2' ' A' ' 71' ' ' LYS . . . -152.68 17.52 0.75 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.932 -0.651 . . . . 72.04 111.613 176.641 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.502 ' CD1' ' HB2' ' A' ' 66' ' ' SER . 9.3 mt -74.44 -39.63 48.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.129 0.49 . . . . 74.21 110.435 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.562 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 32.1 p90 -140.15 149.02 42.48 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.479 -0.782 . . . . 74.13 110.899 -174.143 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.3 m -149.7 164.75 34.37 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.531 -0.758 . . . . 74.42 109.39 177.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -134.7 142.17 46.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.932 0.396 . . . . 74.11 110.525 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -142.52 133.92 26.36 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.936 -1.135 . . . . 72.43 107.936 178.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -71.56 89.0 0.95 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.153 0.501 . . . . 73.13 110.835 -174.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 18.2 t -125.49 100.11 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.621 -0.718 . . . . 54.32 110.101 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -78.61 84.39 4.72 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.915 -0.772 . . . . 65.24 108.915 175.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -148.34 -52.01 0.18 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.301 -0.863 . . . . 54.02 109.73 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.32 12.69 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.395 0.617 . . . . 75.13 109.928 174.098 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.8 m -98.23 11.36 38.11 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.264 -0.88 . . . . 64.33 110.205 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -137.07 32.53 2.42 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.585 -0.734 . . . . 52.4 111.52 178.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -92.25 166.77 12.44 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.789 -0.448 . . . . 74.25 109.789 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -55.89 -34.45 65.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.896 0.379 . . . . 65.21 111.623 -177.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -66.9 -26.27 66.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.054 -0.521 . . . . 74.42 111.513 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.3 -38.05 89.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.653 0.263 . . . . 74.54 110.7 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.81 -29.98 66.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 72.44 110.345 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.464 ' HA ' ' HE2' ' A' ' 129' ' ' MET . 87.0 t80 -60.36 -50.42 73.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 51.43 110.703 179.773 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.456 HG23 HG23 ' A' ' 11' ' ' THR . 11.8 p -76.46 -31.53 20.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.955 0.407 . . . . 75.42 110.64 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 132' ' ' LYS . 34.2 t70 -57.76 -49.79 75.4 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.05 -0.523 . . . . 75.23 110.369 177.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.464 ' HE2' ' HA ' ' A' ' 126' ' ' TYR . 27.6 ptt? -71.54 -30.25 65.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.361 -0.381 . . . . 73.52 110.928 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -58.65 -53.48 57.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.41 . . . . 71.43 110.057 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.14 -31.89 68.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.239 0.543 . . . . 54.42 110.519 177.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.635 ' HG2' ' HB ' ' A' ' 137' ' ' ILE . 37.0 ttmt -57.53 -35.19 69.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.345 -0.843 . . . . 72.24 111.363 178.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.6 m -65.93 -32.53 74.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 72.43 110.809 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.46 -6.95 55.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.082 -0.508 . . . . 73.04 110.855 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.469 HD23 ' HB3' ' A' ' 19' ' ' GLN . 83.6 mt -97.14 -5.57 36.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.979 -0.555 . . . . 72.44 110.602 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 100.68 -6.76 57.38 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.733 -0.746 . . . . 53.1 112.556 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.635 ' HB ' ' HG2' ' A' ' 132' ' ' LYS . 58.4 mt -85.66 119.99 35.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.433 -0.58 . . . . 53.44 109.433 178.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 26.6 ttt85 68.68 53.55 0.53 Allowed 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 122.01 0.909 . . . . 75.02 109.256 -174.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.54 156.92 44.75 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.112 -0.949 . . . . 75.04 109.568 177.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . 0.445 ' O ' HD12 ' A' ' 140' ' ' LEU . 2.9 tm? -75.01 -33.36 61.79 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.152 0.427 . . . . 74.21 112.152 -171.614 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -101.26 16.23 26.2 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.607 -0.437 . . . . 75.54 111.822 -169.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -61.59 135.01 57.49 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.133 -0.691 . . . . 72.22 109.133 173.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 5.7 t60 63.27 -105.16 0.15 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 107.992 -1.114 . . . . 74.43 107.992 -170.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 74.2 m80 26.04 71.99 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.061 1.134 . . . . 73.23 114.061 173.569 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -109.62 5.87 23.37 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.853 -0.425 . . . . 75.34 109.853 175.529 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 13.0 t60 69.65 -71.7 0.12 Allowed 'General case' 0 N--CA 1.465 0.31 0 O-C-N 124.12 0.888 . . . . 74.22 110.61 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.315 -0.85 . . . . 72.23 109.404 -179.957 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 110.56 -0.163 . . . . 75.1 110.56 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -107.48 87.62 2.54 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.65 -0.87 . . . . 75.52 108.65 172.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -124.05 98.63 5.87 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.385 -0.825 . . . . 73.31 110.073 -174.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 4' ' ' ARG . 56.5 mtt85 -89.92 -25.86 20.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.586 -0.733 . . . . 54.01 111.324 -178.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 p -105.96 121.48 44.19 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.587 -0.733 . . . . 63.11 111.013 -177.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.629 ' O ' ' HE2' ' A' ' 28' ' ' LYS . 32.5 tt0 68.2 106.8 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 O-C-N 124.203 0.939 . . . . 72.42 110.904 -177.571 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -85.59 148.02 26.12 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 108.184 -1.043 . . . . 75.42 108.184 167.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.712 ' OD2' ' HB2' ' A' ' 26' ' ' PHE . 1.5 p-10 -78.81 104.52 9.49 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.492 0.663 . . . . 74.45 111.153 -174.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.641 HG22 HD13 ' A' ' 72' ' ' ILE . 55.3 t -130.24 130.81 65.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.456 -0.793 . . . . 53.41 111.033 -178.017 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -153.41 137.72 16.62 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.504 -0.924 . . . . 74.53 108.504 174.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.9 t -148.64 154.33 39.55 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.55 -0.46 . . . . 44.11 111.475 -174.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.502 ' HA ' ' O ' ' A' ' 115' ' ' VAL . 0.0 OUTLIER -103.6 173.47 6.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.798 -0.816 . . . . 61.32 108.798 172.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -168.82 39.19 0.21 Allowed Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.928 -0.653 . . . . 65.41 111.534 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.9 m -127.6 113.17 15.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.93 0.395 . . . . 75.54 111.293 -176.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -58.15 122.2 12.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.698 -0.683 . . . . 74.32 110.326 176.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.694 HG23 HD21 ' A' ' 17' ' ' ASN . 10.9 p -102.94 127.05 57.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.96 0.409 . . . . 73.52 110.811 -176.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.694 HD21 HG23 ' A' ' 16' ' ' VAL . 41.5 m-80 62.92 30.94 16.48 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.793 -0.64 . . . . 74.2 111.356 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.14 10.06 85.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.823 -0.704 . . . . 72.32 113.53 173.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.434 HE21 HD12 ' A' ' 135' ' ' LEU . 11.0 pt20 -127.08 155.12 43.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.995 0.398 . . . . 75.51 110.29 178.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -97.06 134.93 39.76 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.519 0.676 . . . . 73.13 111.938 -175.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.88 167.2 24.52 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 107.495 -1.298 . . . . 60.13 107.495 173.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.6 p-90 -139.77 130.05 25.31 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.144 -0.622 . . . . 72.53 110.731 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.711 ' HB3' ' HB ' ' A' ' 127' ' ' VAL . . . -124.68 135.91 53.45 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.672 -0.695 . . . . 52.25 110.113 176.033 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -128.23 139.46 52.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.085 0.469 . . . . 73.22 109.99 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.781 ' HB2' HG13 ' A' ' 127' ' ' VAL . . . -133.23 154.15 50.91 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.906 -0.588 . . . . 64.42 110.255 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.712 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -128.15 97.79 4.89 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.627 0.727 . . . . 73.35 110.244 175.463 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.717 ' HA ' ' HA ' ' A' ' 32' ' ' VAL . 2.7 p -109.98 125.66 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 114.884 -1.053 . . . . 71.53 110.717 -174.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.687 ' HB2' ' HB3' ' A' ' 8' ' ' ASP . 23.7 tptp -126.78 122.98 36.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.848 -0.614 . . . . 61.24 109.952 -176.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.429 ' OD1' ' HG3' ' A' ' 28' ' ' LYS . 4.2 m-20 62.47 35.59 14.63 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.624 0.601 . . . . 51.43 112.624 172.161 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.53 1.74 58.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.24 -0.981 . . . . 55.51 114.295 172.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.603 ' HE2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -153.25 151.64 30.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.87 0.835 . . . . 75.44 111.717 173.812 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.717 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 14.9 p -84.14 151.37 3.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.603 -0.726 . . . . 73.21 110.65 -176.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.663 ' HB2' ' HD2' ' A' ' 26' ' ' PHE . 37.6 m170 -77.44 -60.11 2.5 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.841 -0.429 . . . . 74.53 109.841 174.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.406 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 98.7 m-85 -144.76 154.04 42.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 73.32 109.652 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -124.71 120.99 33.38 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.245 -0.28 . . . . 73.13 110.245 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -152.61 159.36 43.23 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.06 -0.348 . . . . 70.4 110.06 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -176.6 156.04 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.275 -0.639 . . . . 72.13 109.275 -175.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -156.76 175.94 13.39 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.254 -0.276 . . . . 74.45 110.254 -178.519 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.9 m -98.55 130.19 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-O 121.229 0.538 . . . . 64.13 111.222 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.84 -165.98 53.54 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.72 -0.673 . . . . 41.31 112.344 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -138.58 109.41 6.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.804 0.335 . . . . 72.24 110.736 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.704 ' HB2' ' HB2' ' A' ' 45' ' ' ALA . 17.9 m120 -129.41 142.74 46.3 Favored Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 109.12 -0.696 . . . . 75.33 109.12 175.292 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.08 -50.4 11.45 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 122.86 2.373 . . . . 74.3 113.357 -173.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.69 -33.26 17.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.69 0.281 . . . . 72.05 111.077 -176.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.704 ' HB2' ' HB2' ' A' ' 42' ' ' ASN . . . -67.95 -36.14 79.59 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.203 0.446 . . . . 71.4 112.203 -176.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.02 -16.6 60.6 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.06 0.392 . . . . 62.22 112.06 -175.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 p -120.02 -62.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.851 -0.34 . . . . 72.13 111.509 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.411 ' HG2' ' HG3' ' A' ' 49' ' ' ARG . 49.2 ttm 44.16 -85.44 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 125.613 1.565 . . . . 72.12 112.576 178.107 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.411 ' HG3' ' HG2' ' A' ' 48' ' ' MET . 51.4 mtt180 -148.03 13.43 1.0 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.455 -1.248 . . . . 74.41 109.413 -176.366 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -82.36 176.51 9.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.082 -0.963 . . . . 73.44 110.318 -175.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.511 ' O ' HG12 ' A' ' 55' ' ' ILE . 45.9 t -62.81 -35.97 73.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.377 0.608 . . . . 61.24 109.467 177.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.678 ' HA ' ' HB ' ' A' ' 55' ' ' ILE . . . -58.59 -16.03 14.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.097 -0.956 . . . . 62.41 112.027 177.362 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.52 -53.38 39.19 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.708 -0.758 . . . . 64.31 111.844 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.4 -31.19 65.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.954 0.407 . . . . 72.44 110.412 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.678 ' HB ' ' HA ' ' A' ' 52' ' ' ALA . 37.7 mm -64.44 -29.58 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.896 -0.593 . . . . 65.22 110.966 177.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.67 -24.62 22.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.371 . . . . 74.01 111.581 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.58 -24.74 67.7 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.742 0.306 . . . . 72.42 110.83 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.548 ' O ' HG22 ' A' ' 62' ' ' VAL . . . -68.93 -26.83 65.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.48 -0.327 . . . . 75.42 110.343 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.6 tp -67.26 -39.28 86.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.328 0.585 . . . . 75.13 109.501 176.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.471 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 97.5 m-85 -73.8 -26.37 60.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.535 -0.757 . . . . 75.21 110.13 175.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.2 -34.47 78.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.304 -0.407 . . . . 74.3 110.049 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.548 HG22 ' O ' ' A' ' 58' ' ' ALA . 62.0 t -69.57 -37.18 73.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.117 0.484 . . . . 70.44 109.938 174.043 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HB2' ' HA ' ' A' ' 60' ' ' TYR . 6.0 tmtt? -56.41 -41.75 76.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.411 -0.813 . . . . 73.03 109.748 174.762 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -71.0 -45.87 63.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.709 -0.678 . . . . 73.42 110.791 174.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.05 -41.62 64.96 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.058 -0.519 . . . . 73.42 111.993 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.476 ' HA ' HG12 ' A' ' 109' ' ' ILE . 34.5 t -52.22 -49.71 63.4 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.053 -0.521 . . . . 61.35 110.926 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -83.63 -29.13 27.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.921 -0.581 . . . . 75.44 111.461 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.3 tp -72.74 -26.55 61.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.393 . . . . 64.32 111.027 -176.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.88 14.61 31.07 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.563 -0.827 . . . . 71.42 112.932 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.4 m -112.43 147.41 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.753 0.311 . . . . 61.24 110.749 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.557 ' HA ' HG22 ' A' ' 109' ' ' ILE . 80.4 mttt -129.69 178.37 6.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.318 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.641 HD13 HG22 ' A' ' 9' ' ' VAL . 2.7 pp -109.31 167.18 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 110.121 -0.325 . . . . 70.22 110.121 178.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.6 ttt85 -76.79 102.8 6.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.127 0.489 . . . . 74.23 109.914 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.534 ' HB ' ' HB3' ' A' ' 111' ' ' SER . 35.5 pt -87.34 139.44 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-N 115.588 -0.733 . . . . 74.32 111.601 -175.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -106.87 28.32 8.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.737 -0.665 . . . . 75.52 109.377 175.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -52.57 -46.51 66.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.28 -0.873 . . . . 73.01 112.642 -172.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.54 ' OD1' ' HD1' ' A' ' 78' ' ' TYR . 12.1 t70 59.58 -85.23 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.679 0.612 . . . . 55.25 110.181 -173.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.54 ' HD1' ' OD1' ' A' ' 77' ' ' ASP . 4.5 p90 -165.19 -26.26 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.828 0.347 . . . . 74.32 110.353 172.457 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -79.72 -12.99 59.77 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.431 0.53 . . . . 62.32 112.431 -174.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -57.78 -15.6 20.15 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 114.252 0.461 . . . . 75.42 114.252 -176.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.8 pp -75.5 -19.95 15.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 O-C-N 122.237 -0.567 . . . . 44.44 111.895 179.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.06 11.99 4.64 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.323 0.86 . . . . 74.11 113.323 -169.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.456 ' HE2' ' HA ' ' A' ' 113' ' ' GLU . 54.4 p90 -133.71 -8.51 2.8 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.16 -0.616 . . . . 71.14 111.227 173.162 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.672 ' HZ2' ' H ' ' A' ' 112' ' ' PHE . 33.0 m0 -75.34 -68.91 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.075 0.464 . . . . 74.42 110.926 175.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.531 ' HB1' ' HB2' ' A' ' 100' ' ' ALA . . . -65.82 -29.95 70.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.461 -0.79 . . . . 74.5 111.604 -171.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.2 p -105.99 10.08 32.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.094 -0.503 . . . . 64.52 111.805 -178.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.413 ' HA3' ' O ' ' A' ' 83' ' ' PHE . . . -110.54 -68.35 0.57 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.439 -0.886 . . . . 61.35 112.607 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.65 -37.12 85.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.991 0.424 . . . . 72.34 110.676 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -126.0 158.39 35.44 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.06 -0.718 . . . . 74.4 109.06 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -89.38 112.18 23.23 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.898 0.38 . . . . 75.41 110.246 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.512 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -106.83 109.79 21.78 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.803 -0.635 . . . . 73.32 109.901 177.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -154.02 -63.57 0.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.023 -0.535 . . . . 73.21 110.659 -174.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -90.7 83.01 5.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.168 -0.469 . . . . 75.13 112.178 -174.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 56.36 -86.56 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.807 1.04 . . . . 70.0 113.807 169.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -58.49 -29.94 66.63 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.14 0.576 . . . . 71.41 111.832 -171.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.512 ' HB ' ' HA ' ' A' ' 91' ' ' ALA . 24.6 p -58.45 -28.57 65.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.683 -0.69 . . . . 72.11 111.649 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -68.61 -38.91 80.96 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.466 -0.334 . . . . 71.21 111.319 -178.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.34 -35.7 81.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.957 0.408 . . . . 74.25 110.383 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -79.72 -30.93 41.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.862 -0.608 . . . . 75.3 110.935 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.618 ' O ' ' HG2' ' A' ' 103' ' ' MET . . . -69.78 -45.46 67.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.06 -0.518 . . . . 71.3 111.077 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -74.57 -9.61 58.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.923 0.392 . . . . 64.14 110.553 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 58.4 tp -69.41 -32.24 71.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.044 -0.525 . . . . 73.11 110.411 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.618 ' HG2' ' O ' ' A' ' 100' ' ' ALA . 21.7 ptp -69.56 -26.66 64.59 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.138 0.494 . . . . 63.12 109.997 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.621 ' HA ' ' HD3' ' A' ' 107' ' ' ARG . 63.3 t30 -66.77 -23.1 66.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.569 -0.741 . . . . 73.03 111.014 -175.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.426 HE21 ' HB3' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -57.56 -31.14 65.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 70.23 111.315 176.569 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -79.32 -18.72 51.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 75.1 110.317 -178.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.621 ' HD3' ' HA ' ' A' ' 104' ' ' ASN . 11.8 mpt_? -78.93 159.61 27.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.036 -0.529 . . . . 71.4 110.109 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 136.25 -49.72 0.87 Allowed Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.99 -0.844 . . . . 72.33 110.99 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.557 HG22 ' HA ' ' A' ' 71' ' ' LYS . 4.1 mp -80.28 -39.58 19.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.468 -0.938 . . . . 75.1 108.468 172.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.437 ' HH ' HG21 ' A' ' 9' ' ' VAL . 0.2 OUTLIER -115.67 147.29 41.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.871 -1.059 . . . . 74.01 109.522 175.51 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.534 ' HB3' ' HB ' ' A' ' 74' ' ' ILE . 5.7 t -161.41 140.21 9.83 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.415 -0.587 . . . . 71.32 109.415 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.672 ' H ' ' HZ2' ' A' ' 84' ' ' TRP . 88.2 m-85 -126.29 171.56 10.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.118 0.485 . . . . 70.22 111.304 -174.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.456 ' HA ' ' HE2' ' A' ' 83' ' ' PHE . 0.6 OUTLIER -147.41 152.06 37.5 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.12 -1.437 . . . . 63.14 107.12 172.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 17.5 ptpt -79.35 81.62 5.6 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.896 0.855 . . . . 73.33 110.833 -176.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.502 ' O ' ' HA ' ' A' ' 12' ' ' ASP . 60.6 t -100.64 139.44 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.99 -1.005 . . . . 63.41 110.715 -176.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -142.43 124.21 15.12 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.12 -0.696 . . . . 75.5 109.12 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.43 132.61 43.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.794 0.331 . . . . 72.12 110.325 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -109.36 -37.96 5.61 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.209 -0.45 . . . . 75.33 111.108 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 17.7 m -72.98 -32.66 65.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.377 -0.374 . . . . 75.43 111.451 -174.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 135.29 90.09 0.32 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.254 -0.974 . . . . 64.44 113.351 175.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -116.74 131.17 57.02 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.364 -0.236 . . . . 62.1 110.364 173.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -63.19 -41.76 99.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.941 0.4 . . . . 74.14 110.788 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -60.43 -39.63 88.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.537 -0.756 . . . . 73.41 110.165 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -69.26 -48.05 62.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.58 -0.736 . . . . 71.25 110.841 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -67.48 -35.96 80.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.028 -0.533 . . . . 72.21 111.069 -175.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -56.11 25.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 73.43 110.766 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.781 HG13 ' HB2' ' A' ' 25' ' ' ALA . 30.6 m -68.69 -30.9 48.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.795 0.331 . . . . 61.33 110.794 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.23 -45.55 92.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.772 -0.649 . . . . 73.02 109.864 174.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 46.6 ttm -64.4 -40.44 95.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.455 -0.793 . . . . 71.24 110.777 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -65.35 -42.83 92.42 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.375 -0.375 . . . . 72.34 110.077 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . 0.415 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -63.37 -42.74 98.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.359 -0.382 . . . . 61.43 110.652 177.782 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.595 ' HA ' HD13 ' A' ' 135' ' ' LEU . 83.1 mttt -64.64 -35.3 80.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.219 -0.446 . . . . 73.03 111.02 177.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 48.8 m -61.24 -39.42 90.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.633 0.254 . . . . 62.45 110.447 177.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.5 -21.32 60.44 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.047 -0.524 . . . . 53.22 110.954 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.595 HD13 ' HA ' ' A' ' 132' ' ' LYS . 66.3 mt -80.28 -16.44 54.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.274 0.559 . . . . 64.2 109.607 177.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.31 15.9 54.5 Favored Glycine 0 N--CA 1.439 -1.104 0 CA-C-N 115.303 -0.862 . . . . 71.32 111.576 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.5 ' HB ' ' HB3' ' A' ' 132' ' ' LYS . 50.7 mm -78.19 93.74 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.118 0.485 . . . . 72.51 110.781 -177.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.49 -164.45 1.57 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.788 -0.819 . . . . 73.04 108.788 174.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -71.23 152.5 43.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 73.22 110.336 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -87.94 -20.16 26.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.091 -0.504 . . . . 65.44 111.765 -172.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -70.28 -31.76 69.26 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.422 -0.584 . . . . 70.44 109.422 177.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -61.87 112.89 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.324 -0.853 . . . . 71.22 109.618 166.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -78.77 164.77 24.26 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.079 -0.51 . . . . 74.13 110.741 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -65.25 107.53 1.62 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.118 -0.697 . . . . 74.44 109.118 174.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -74.9 115.46 14.53 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.952 -0.567 . . . . 73.41 111.444 -170.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -68.23 137.9 55.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.531 -0.759 . . . . 74.11 109.73 175.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 60.9 m170 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.629 -0.701 . . . . 74.31 110.186 177.939 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.6 mtt . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 109.552 -0.536 . . . . 71.52 109.552 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -134.51 -89.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.011 0.374 . . . . 60.41 112.011 -173.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -166.71 129.01 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.563 -0.903 . . . . 63.22 108.563 -173.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -121.54 10.93 10.52 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.029 -0.532 . . . . 62.23 110.119 -176.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.39 127.53 36.22 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.881 -0.6 . . . . 74.43 112.034 -168.192 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -70.97 127.36 32.33 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.651 -0.87 . . . . 74.2 108.651 170.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.569 ' CE1' ' HG2' ' A' ' 28' ' ' LYS . 42.7 m-85 -91.28 133.59 35.29 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.537 0.569 . . . . 74.35 112.537 -166.687 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -85.88 89.96 7.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.89 -1.05 . . . . 55.52 109.005 171.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.95 ' HB ' HG23 ' A' ' 74' ' ' ILE . 61.0 t -93.0 134.16 31.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 116.301 -0.409 . . . . 42.21 109.917 -172.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.523 ' HH ' HG12 ' A' ' 32' ' ' VAL . 55.9 p90 -111.29 141.91 44.2 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.579 0.704 . . . . 71.43 112.044 -173.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.721 HG22 ' H ' ' A' ' 12' ' ' ASP . 3.6 m -143.91 -171.42 3.54 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.76 -1.57 . . . . 71.24 106.76 172.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.721 ' H ' HG22 ' A' ' 11' ' ' THR . 24.8 t70 -81.47 153.11 27.03 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.081 -0.711 . . . . 73.12 109.081 173.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.78 -32.69 78.39 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.057 -0.592 . . . . 74.33 114.271 -173.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 p -143.48 172.52 12.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.421 0.61 . . . . 74.21 111.945 -172.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -73.84 131.81 41.9 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.006 -0.739 . . . . 73.3 109.006 175.637 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.609 HG21 HD21 ' A' ' 17' ' ' ASN . 9.3 p -99.24 131.0 47.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.192 0.52 . . . . 72.1 111.047 -173.14 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.609 HD21 HG21 ' A' ' 16' ' ' VAL . 52.2 m-80 57.99 26.97 14.13 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.467 -0.788 . . . . 74.4 111.599 -177.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.77 3.0 90.43 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.026 -0.607 . . . . 53.13 113.044 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.54 ' HB3' HD21 ' A' ' 135' ' ' LEU . 18.7 mm-40 -103.12 143.24 32.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.042 0.449 . . . . 71.22 110.872 -178.718 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -128.33 146.38 50.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.812 -0.631 . . . . 73.24 111.117 -177.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.464 ' HB1' ' O ' ' A' ' 38' ' ' ASP . . . -152.69 166.14 33.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.523 -0.762 . . . . 72.0 109.238 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -98.65 130.75 45.17 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.512 -0.475 . . . . 71.33 109.842 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.35 145.43 6.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.161 -0.472 . . . . 73.32 110.905 -177.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.412 ' HB2' ' CG1' ' A' ' 9' ' ' VAL . 44.2 p90 -167.28 140.23 3.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.941 -0.572 . . . . 73.14 109.698 174.006 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.445 ' HB3' ' HB3' ' A' ' 35' ' ' GLU . . . -108.51 116.7 32.46 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.295 -0.411 . . . . 74.41 110.269 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -84.59 107.89 17.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.864 0.84 . . . . 72.45 111.313 -176.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 p -92.65 129.89 42.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 114.781 -1.1 . . . . 71.02 110.462 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.569 ' HG2' ' CE1' ' A' ' 7' ' ' TYR . 25.6 mtpp -134.6 127.57 31.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.9 -0.591 . . . . 70.33 110.223 -176.751 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.0 t70 63.98 24.88 13.74 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.752 -0.658 . . . . 74.13 111.099 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.62 -15.82 61.4 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.734 -0.746 . . . . 64.41 113.091 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -112.74 161.13 17.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.059 0.457 . . . . 73.44 110.75 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.523 HG12 ' HH ' ' A' ' 10' ' ' TYR . 46.3 t -106.67 126.51 62.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.092 -0.504 . . . . 73.04 109.939 -178.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 -83.91 -59.02 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.5 -0.318 . . . . 70.25 111.19 -177.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -139.66 145.91 39.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.644 0.259 . . . . 73.22 111.326 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.445 ' HB3' ' HB3' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -139.83 132.92 29.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.775 -0.648 . . . . 70.54 110.489 174.628 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.557 ' HB2' ' HB ' ' A' ' 51' ' ' VAL . 34.3 t0 -162.42 171.32 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.817 -0.438 . . . . 72.24 109.817 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -148.94 152.37 36.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.361 -0.381 . . . . 71.11 110.524 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.464 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 22.6 t70 -147.28 157.2 43.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.473 -0.33 . . . . 64.43 110.4 176.778 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.7 m -106.9 130.34 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-O 121.288 0.565 . . . . 73.12 111.674 -176.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.63 -164.03 28.88 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.89 -0.671 . . . . 70.03 112.333 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -141.13 112.52 7.45 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 122.173 0.189 . . . . 75.02 110.782 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.569 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 87.5 m-20 -130.13 142.07 44.11 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-O 120.735 0.302 . . . . 62.3 110.369 176.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 42' ' ' ASN . 6.8 Cg_exo -75.77 -55.55 0.07 OUTLIER 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 123.174 2.583 . . . . 71.43 112.943 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.21 -24.51 47.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.18 0.514 . . . . 73.13 110.986 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.569 ' HB3' ' HB2' ' A' ' 42' ' ' ASN . . . -86.79 8.93 20.69 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.813 -0.631 . . . . 75.44 111.414 -177.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.59 -27.27 2.68 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.874 0.694 . . . . 71.22 112.874 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.0 p -80.87 -59.61 2.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.96 0.41 . . . . 74.02 110.179 174.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.85 ' HA ' ' HE3' ' A' ' 48' ' ' MET . 2.5 tpt 68.14 -68.54 0.17 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.692 1.197 . . . . 75.12 112.435 170.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 13.9 mtm180 -104.95 -85.59 0.48 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.356 -0.384 . . . . 75.11 111.219 -172.14 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -165.49 -53.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.617 0.246 . . . . 73.55 110.995 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.557 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 36.9 t -73.88 -39.8 52.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.864 0.364 . . . . 72.22 110.076 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.64 -23.61 52.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.975 -0.557 . . . . 71.33 111.083 174.038 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -62.34 -37.13 94.09 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.775 -0.726 . . . . 51.04 111.701 175.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -72.24 -36.93 69.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.186 0.517 . . . . 73.33 109.795 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.19 -38.18 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.401 -0.818 . . . . 73.45 110.969 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.31 -35.73 67.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.33 -0.395 . . . . 41.4 111.215 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.89 -39.72 42.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 73.1 110.8 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.69 -31.22 72.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.034 -0.53 . . . . 73.51 110.926 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.2 tp -63.57 -34.32 77.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.113 -0.494 . . . . 63.22 110.68 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -68.04 -31.01 70.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 73.3 109.784 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.77 -31.09 71.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 65.42 110.183 175.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.464 HG11 ' HB2' ' A' ' 110' ' ' TYR . 43.5 t -72.15 -36.36 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.964 -0.562 . . . . 54.11 109.965 176.812 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.412 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 1.2 tmtp? -61.83 -40.29 94.76 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.263 -0.643 . . . . 75.24 109.263 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -62.69 -31.51 72.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.579 -0.737 . . . . 75.41 111.379 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.98 -28.43 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.093 0.405 . . . . 75.04 112.093 -176.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.1 p -61.36 -34.62 75.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.864 0.364 . . . . 71.13 110.779 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -70.01 -38.29 75.91 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.916 -0.584 . . . . 64.33 110.932 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.7 mp -79.19 -25.22 42.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.11 -0.496 . . . . 73.11 110.763 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.76 25.7 31.67 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.888 -0.673 . . . . 74.31 112.065 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.1 m -112.03 143.12 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.808 0.337 . . . . 74.12 110.154 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -119.59 153.8 34.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.351 -0.386 . . . . 72.14 110.089 -177.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.764 HD13 ' HD1' ' A' ' 110' ' ' TYR . 2.7 pp -114.52 146.15 19.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.502 -0.555 . . . . 74.02 109.502 177.863 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -112.3 102.6 10.74 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.881 0.372 . . . . 65.03 111.469 -175.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.95 HG23 ' HB ' ' A' ' 9' ' ' VAL . 2.3 pp -84.95 128.32 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 N-CA-C 108.763 -0.828 . . . . 71.14 108.763 171.587 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 76' ' ' HIS . 96.1 mt 60.26 26.76 16.25 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.873 0.368 . . . . 72.14 110.583 -176.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 75' ' ' LEU . 2.8 m-70 74.78 -176.65 0.15 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.416 -0.811 . . . . 74.52 111.664 -177.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -86.65 113.15 22.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.885 -0.413 . . . . 74.14 109.885 -174.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.546 ' HB3' ' HG3' ' A' ' 113' ' ' GLU . 10.1 t80 -115.1 156.39 25.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.242 -0.435 . . . . 72.54 110.942 -173.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.61 -13.93 50.22 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.138 -0.483 . . . . 75.03 112.188 -176.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.608 ' HA2' ' HD2' ' A' ' 83' ' ' PHE . . . -63.8 -12.9 49.92 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 121.302 -0.475 . . . . 70.43 113.651 -174.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.461 HG13 ' HD3' ' A' ' 107' ' ' ARG . 11.3 tt -58.31 -34.18 49.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 120.862 0.363 . . . . 74.31 111.506 -179.174 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.01 -13.35 56.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 63.11 110.918 -178.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.608 ' HD2' ' HA2' ' A' ' 80' ' ' GLY . 95.9 m-85 -93.6 6.24 48.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.265 -0.425 . . . . 63.15 110.997 -178.086 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -73.98 -45.8 47.82 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.981 -0.288 . . . . 74.33 110.654 174.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.539 ' HB2' ' HB3' ' A' ' 100' ' ' ALA . . . -63.68 -43.54 96.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.974 -0.557 . . . . 63.04 111.185 -177.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 72.2 p -92.21 -11.18 36.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.263 -0.426 . . . . 71.2 111.3 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.75 -30.72 12.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.142 -0.552 . . . . 74.34 112.448 -178.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.629 ' HB3' ' HE2' ' A' ' 99' ' ' TYR . 26.4 mm-40 -68.37 -58.22 4.7 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.738 -0.468 . . . . 62.04 109.738 174.199 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 32.7 t-105 -163.46 126.17 2.6 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.346 -0.983 . . . . 74.51 108.346 174.204 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -63.52 122.22 15.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.963 0.411 . . . . 73.05 111.052 -176.178 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.61 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -76.04 91.27 3.08 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.714 -0.675 . . . . 72.54 110.742 -178.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -78.13 -33.11 50.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.478 0.656 . . . . 71.31 110.226 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -125.74 169.77 12.24 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.369 -0.832 . . . . 75.32 109.192 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.773 ' HA ' ' HB2' ' A' ' 97' ' ' GLN . 45.4 mt-10 -69.11 -26.55 64.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.8 0.334 . . . . 73.32 110.38 176.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -56.11 -47.83 77.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.937 -0.574 . . . . 72.25 109.653 170.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.61 ' HB ' ' HA ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -71.6 -34.62 70.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.683 -0.69 . . . . 74.24 110.47 177.302 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.773 ' HB2' ' HA ' ' A' ' 94' ' ' GLU . 24.0 mt-30 -58.64 -32.22 68.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.87 -0.604 . . . . 61.24 111.611 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.28 -35.21 67.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.377 . . . . 71.41 111.087 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.629 ' HE2' ' HB3' ' A' ' 88' ' ' GLU . 56.2 t80 -74.02 -41.84 61.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.007 -0.542 . . . . 75.01 110.575 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.539 ' HB3' ' HB2' ' A' ' 85' ' ' ALA . . . -70.22 -36.41 74.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.088 -0.506 . . . . 64.34 110.812 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.412 ' HB2' ' HE3' ' A' ' 101' ' ' LYS . 33.5 ttmt -69.19 -28.47 66.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.762 -0.654 . . . . 55.11 110.315 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.5 tt -59.47 -42.55 92.29 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.158 -0.682 . . . . 73.1 109.158 174.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.428 ' O ' ' HG2' ' A' ' 107' ' ' ARG . 21.3 mmt -69.97 -45.72 66.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.768 -0.651 . . . . 70.32 110.727 176.195 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -56.7 -35.35 68.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.027 -0.533 . . . . 72.54 111.063 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -53.72 -41.31 66.87 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.58 -0.737 . . . . 75.01 111.897 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.441 ' HE2' ' HD2' ' A' ' 110' ' ' TYR . 57.7 t80 -95.06 -23.55 17.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.304 -0.407 . . . . 73.52 111.619 -176.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.489 ' NH2' ' HA ' ' A' ' 111' ' ' SER . 11.8 mmp_? -64.35 143.12 58.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 75.41 110.608 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.87 -81.47 0.28 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.46 -0.876 . . . . 74.33 112.294 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.714 ' H ' HD12 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -78.99 -29.76 14.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 111.634 0.235 . . . . 73.44 111.634 -177.212 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.764 ' HD1' HD13 ' A' ' 72' ' ' ILE . 83.8 t80 -139.49 144.01 37.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.183 0.516 . . . . 70.24 111.001 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.489 ' HA ' ' NH2' ' A' ' 107' ' ' ARG . 33.6 m -156.36 170.89 21.24 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.43 -0.952 . . . . 74.21 108.43 177.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -126.74 136.87 53.01 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.591 -1.262 . . . . 75.22 107.591 171.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.546 ' HG3' ' HB3' ' A' ' 78' ' ' TYR . 17.0 mm-40 -132.3 153.93 50.2 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.493 0.923 . . . . 74.42 113.493 -171.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.726 ' HE3' ' H ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -105.36 97.41 7.25 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 113.89 -1.505 . . . . 64.22 109.121 -177.242 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 25.4 m -108.63 145.68 15.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.264 0.554 . . . . 74.04 110.912 -175.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -102.73 84.75 2.45 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.759 -0.83 . . . . 74.1 108.759 175.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -131.49 153.15 50.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.957 -0.565 . . . . 64.51 111.321 -174.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -119.15 15.62 13.2 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.76 0.79 . . . . 74.32 108.932 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.9 t -86.81 35.19 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.193 -0.912 . . . . 74.4 110.664 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -58.87 106.54 0.91 Allowed Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.652 -0.579 . . . . 72.4 111.652 177.209 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -72.81 163.43 28.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.723 -0.238 . . . . 72.24 110.497 -178.391 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.68 -25.27 67.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.618 0.247 . . . . 64.34 111.471 -177.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -70.81 -26.72 63.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 72.44 111.063 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -59.14 -27.57 65.76 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.137 -0.483 . . . . 71.21 111.461 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -54.13 -31.96 53.82 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.347 0.404 . . . . 72.42 111.355 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -69.45 -54.24 15.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.46 -0.336 . . . . 71.32 111.249 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.445 HG13 ' HA ' ' A' ' 11' ' ' THR . 12.4 p -68.34 -26.69 34.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.972 0.415 . . . . 65.31 110.233 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.41 -54.89 22.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.897 -0.592 . . . . 70.42 111.075 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -61.59 -33.1 73.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.753 0.311 . . . . 75.34 110.645 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -68.65 -50.63 49.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.323 -0.399 . . . . 64.1 110.683 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.35 -46.45 83.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.354 -0.385 . . . . 63.52 111.356 -178.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.4 ' HE3' HG22 ' A' ' 16' ' ' VAL . 46.7 mttp -60.01 -45.64 92.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.353 -0.385 . . . . 73.23 111.747 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.7 t -65.39 -34.81 79.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.616 0.246 . . . . 74.32 110.619 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.08 -24.21 64.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 60.13 111.165 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.54 HD21 ' HB3' ' A' ' 19' ' ' GLN . 96.6 mt -92.91 3.94 54.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.067 -0.515 . . . . 71.35 110.115 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.15 12.38 82.44 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.617 -0.72 . . . . 75.24 112.645 177.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 63.9 mt -87.77 122.24 39.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.94 0.4 . . . . 72.44 110.579 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.89 171.2 14.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.167 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -72.7 113.81 10.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.264 0.554 . . . . 70.33 111.163 -177.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 80.9 mt -93.56 -24.66 17.87 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.285 -0.871 . . . . 64.41 111.996 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -138.46 -19.89 1.07 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 114.74 1.385 . . . . 64.11 114.74 -163.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -75.72 89.62 2.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.42 0.628 . . . . 74.2 110.902 -171.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -102.19 160.93 14.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.551 -0.749 . . . . 75.31 110.302 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 70.55 -55.46 0.63 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.75 0.82 . . . . 64.12 110.074 -169.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -78.37 81.51 4.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.025 -0.731 . . . . 73.32 109.025 174.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -173.23 -38.23 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.062 -1.088 . . . . 64.2 108.062 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 29.1 p80 . . . . . 0 C--O 1.247 0.936 0 CA-C-N 115.08 -0.964 . . . . 75.52 108.974 171.736 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.8 ttm . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.932 0.396 . . . . 63.11 109.953 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -131.3 -56.78 1.02 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.959 -0.564 . . . . 72.12 110.708 -176.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 59.54 95.99 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 O-C-N 124.069 0.856 . . . . 65.43 110.309 -175.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -128.09 8.59 6.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.065 -0.516 . . . . 72.43 112.116 -170.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.0 t -145.19 118.86 9.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.921 0.391 . . . . 72.13 111.446 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 59.47 98.36 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.592 -0.731 . . . . 75.0 111.921 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.709 ' HB2' HG21 ' A' ' 72' ' ' ILE . 93.2 m-85 -92.15 157.52 16.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.833 -0.621 . . . . 74.51 110.844 -178.075 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -92.61 116.67 29.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.713 -0.676 . . . . 74.3 111.028 -177.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 88.5 t -125.88 111.96 28.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.176 -0.676 . . . . 73.34 109.176 173.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.504 ' HB2' ' HB1' ' A' ' 25' ' ' ALA . 90.4 m-85 -97.33 148.87 22.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.029 0.443 . . . . 75.31 110.91 -176.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.703 ' HB ' HD13 ' A' ' 75' ' ' LEU . 13.9 m -151.07 137.73 18.81 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.691 -0.686 . . . . 72.0 109.233 177.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -163.03 77.24 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.282 -0.636 . . . . 73.52 109.282 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.781 ' HA2' ' HA ' ' A' ' 115' ' ' VAL . . . 107.37 156.17 19.98 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.617 -0.72 . . . . 64.55 112.218 -177.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.416 ' H ' HG23 ' A' ' 115' ' ' VAL . 70.0 m -158.48 -51.13 0.06 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.178 -0.675 . . . . 71.1 109.178 177.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.775 ' HB3' ' HD1' ' A' ' 20' ' ' TYR . 39.1 p90 -110.57 164.19 12.97 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.766 -0.652 . . . . 71.32 109.357 173.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.539 HG21 HD21 ' A' ' 17' ' ' ASN . 5.8 p -142.57 111.73 2.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.172 0.51 . . . . 72.44 109.847 174.336 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.539 HD21 HG21 ' A' ' 16' ' ' VAL . 65.0 m-80 57.74 36.36 26.46 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.699 -0.682 . . . . 64.32 111.659 -178.228 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.2 -26.26 25.25 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.93 -0.577 . . . . 62.3 114.384 172.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 4.6 pt20 -82.49 126.39 32.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 118.221 1.01 . . . . 54.23 109.002 176.805 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.775 ' HD1' ' HB3' ' A' ' 15' ' ' TYR . 73.2 t80 -116.25 137.34 52.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.483 0.659 . . . . 73.0 112.356 -167.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.07 151.57 51.29 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.21 -1.033 . . . . 74.51 108.21 169.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.646 ' HZ2' ' HG3' ' A' ' 49' ' ' ARG . 27.4 p-90 -100.15 128.61 46.2 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.072 -0.651 . . . . 75.42 110.1 179.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.516 ' HB1' ' HB2' ' A' ' 37' ' ' ALA . . . -154.69 135.45 13.61 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.496 -0.774 . . . . 63.2 110.33 -176.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -146.32 138.05 24.8 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.336 -0.616 . . . . 73.13 109.336 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.504 ' HB1' ' HB2' ' A' ' 10' ' ' TYR . . . -91.29 101.26 13.96 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.055 0.455 . . . . 63.22 110.672 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.33 100.16 12.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.675 -0.693 . . . . 65.33 109.19 174.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.4 p -127.81 128.01 68.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.612 -0.722 . . . . 73.45 111.112 -172.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.459 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 30.8 ttmt -106.99 128.31 54.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.996 -0.547 . . . . 62.24 110.157 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.8 t70 66.89 11.37 8.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.705 -0.68 . . . . 71.22 111.685 172.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.0 14.21 55.18 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.66 -0.781 . . . . 72.01 113.123 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.459 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -126.91 138.75 53.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.177 0.513 . . . . 74.0 110.58 175.866 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.3 t -90.85 123.96 43.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.923 -0.58 . . . . 71.05 110.58 -176.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -75.84 -40.72 54.29 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.076 0.399 . . . . 75.23 112.076 -177.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -144.82 147.13 32.51 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.75 -0.463 . . . . 73.04 109.75 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -109.06 120.9 43.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.389 -0.369 . . . . 55.34 111.125 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -174.34 173.08 3.08 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.184 0.516 . . . . 75.21 111.574 173.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.516 ' HB2' ' HB1' ' A' ' 23' ' ' ALA . . . 175.09 103.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.968 1.307 . . . . 74.5 107.723 -174.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -112.02 168.01 9.93 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.243 -0.583 . . . . 64.1 111.972 -167.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.9 m -102.79 -176.33 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 115.675 -0.693 . . . . 64.4 110.642 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.67 51.13 21.72 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.756 -0.735 . . . . 73.03 112.191 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -66.73 95.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.113 0.483 . . . . 71.3 109.934 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 49.3 m-80 -145.85 148.19 35.15 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.92 -0.77 . . . . 60.15 108.92 179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.18 -49.05 13.5 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.991 2.461 . . . . 73.0 113.047 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.57 -41.51 31.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.874 0.368 . . . . 75.54 111.124 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.56 -41.61 88.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 63.43 111.821 -175.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.12 -34.88 77.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.508 -0.315 . . . . 71.14 110.892 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 m -71.29 -26.47 62.88 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.203 0.525 . . . . 74.21 110.368 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.9 mtm -88.05 29.0 0.97 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.215 0.531 . . . . 75.32 110.973 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.646 ' HG3' ' HZ2' ' A' ' 22' ' ' TRP . 2.2 mmp_? -108.52 130.82 55.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.263 -0.643 . . . . 72.21 109.263 173.545 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -70.05 -26.31 63.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.324 0.583 . . . . 54.42 110.382 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.2 t -72.59 -29.36 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.768 -0.651 . . . . 72.44 110.497 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.5 ' HB3' ' HB2' ' A' ' 49' ' ' ARG . . . -63.88 -15.04 58.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.575 -0.739 . . . . 73.33 112.875 -172.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.04 -49.24 50.06 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.114 -0.565 . . . . 72.44 112.533 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.49 -31.86 67.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.807 0.336 . . . . 74.43 110.527 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.5 mm -62.19 -44.54 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.047 -0.524 . . . . 74.31 110.219 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.61 93.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.85 -0.614 . . . . 63.23 110.564 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.43 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . . . -63.53 -38.93 93.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 75.44 110.554 178.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.418 ' O ' HG22 ' A' ' 62' ' ' VAL . . . -64.31 -34.72 78.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 53.13 110.715 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.34 -44.76 92.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 74.32 109.686 177.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.43 ' CD2' ' HA ' ' A' ' 57' ' ' ALA . 17.2 m-85 -65.48 -39.65 92.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.102 -0.499 . . . . 75.25 110.222 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.66 -46.94 87.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.84 -0.618 . . . . 75.12 111.013 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.418 HG22 ' O ' ' A' ' 58' ' ' ALA . 94.8 t -64.78 -36.55 77.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.075 0.464 . . . . 74.14 110.441 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -65.3 -38.32 89.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.902 -0.59 . . . . 75.54 110.39 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -70.86 -38.05 73.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.074 -0.512 . . . . 74.1 110.665 176.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.406 ' HB3' HG21 ' A' ' 70' ' ' VAL . . . -56.86 -32.02 65.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 74.0 110.983 179.418 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -60.01 -34.55 73.5 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.743 -0.662 . . . . 72.24 110.788 178.296 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -76.72 -38.83 53.61 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.888 0.375 . . . . 71.34 110.813 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.7 -13.77 61.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 71.13 110.936 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.19 27.4 44.77 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.835 -0.697 . . . . 65.42 112.179 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.406 HG21 ' HB3' ' A' ' 65' ' ' ALA . 30.9 m -126.01 173.01 12.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 110.079 -0.341 . . . . 54.31 110.079 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.525 ' HB2' ' HA ' ' A' ' 109' ' ' ILE . 0.0 OUTLIER -153.26 -173.18 4.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.879 0.371 . . . . 75.53 110.48 179.462 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.709 HG21 ' HB2' ' A' ' 7' ' ' TYR . 2.8 pp -108.43 162.32 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.815 -0.629 . . . . 75.11 109.388 173.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -77.83 115.59 17.7 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.234 -0.586 . . . . 73.4 110.011 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.551 HG23 ' HA ' ' A' ' 111' ' ' SER . 2.4 pp -76.75 129.9 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.819 -0.628 . . . . 72.21 111.182 -177.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.703 HD13 ' HB ' ' A' ' 11' ' ' THR . 8.0 tp 53.88 -154.17 0.26 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.028 -0.533 . . . . 74.24 109.943 178.386 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.584 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 59.4 t-80 -87.24 -62.83 1.41 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.743 -1.206 . . . . 74.33 107.743 166.574 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 178.29 136.62 0.08 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.56 -1.2 . . . . 55.21 108.469 173.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.664 ' HB3' HG21 ' A' ' 81' ' ' ILE . 0.5 OUTLIER -165.65 144.72 6.28 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.032 -0.267 . . . . 73.23 110.554 -175.692 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.29 -30.17 15.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.044 0.449 . . . . 74.1 110.388 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.2 -3.83 54.07 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.579 -0.737 . . . . 73.32 113.394 -177.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.664 HG21 ' HB3' ' A' ' 78' ' ' TYR . 2.8 pp -66.7 -20.4 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.994 0.397 . . . . 73.43 111.697 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.49 11.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.793 0.294 . . . . 62.43 111.793 -176.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -56.96 -37.46 71.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.452 -0.34 . . . . 73.44 111.584 -177.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . 0.446 ' CZ3' ' HB3' ' A' ' 85' ' ' ALA . 4.0 p-90 -65.68 -22.32 66.62 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 111.761 0.282 . . . . 75.3 111.761 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.446 ' HB3' ' CZ3' ' A' ' 84' ' ' TRP . . . -81.06 -25.76 36.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.042 0.449 . . . . 74.03 110.36 -179.517 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.1 p -91.86 -4.09 55.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.9 -0.591 . . . . 73.5 110.206 176.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.59 97.79 1.51 Allowed Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.81 -0.709 . . . . 71.05 112.719 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -71.54 -16.76 62.33 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.571 0.7 . . . . 73.55 109.754 173.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 55.6 t-105 -138.85 159.12 42.9 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.813 -1.181 . . . . 72.14 107.813 176.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -62.97 112.69 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.05 0.453 . . . . 51.4 110.843 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.41 98.24 11.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.716 -0.674 . . . . 74.11 110.907 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -90.79 -27.82 18.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.719 0.771 . . . . 75.14 108.951 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -92.92 143.68 26.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.68 -1.145 . . . . 74.24 110.162 -178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -62.16 -36.42 81.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.216 -0.447 . . . . 74.04 110.846 -177.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -64.21 -38.43 91.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.987 -0.551 . . . . 54.35 110.967 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.2 m -61.67 -41.5 97.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 73.52 110.765 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -59.31 -42.16 90.72 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.052 -0.522 . . . . 73.44 110.828 174.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.11 92.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.971 -0.558 . . . . 63.22 110.951 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.436 ' O ' ' HG3' ' A' ' 103' ' ' MET . 24.4 m-85 -56.77 -42.62 79.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.343 -0.389 . . . . 74.41 110.986 176.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.56 -44.62 86.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.007 -0.542 . . . . 74.43 111.421 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.3 mmtm -68.79 -37.47 79.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.397 -0.365 . . . . 74.42 111.211 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.442 ' O ' HD23 ' A' ' 102' ' ' LEU . 3.7 tt -59.93 -32.86 71.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.903 -0.589 . . . . 74.02 110.5 -178.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.485 ' O ' ' HG2' ' A' ' 107' ' ' ARG . 63.4 mtt -54.71 -41.19 70.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.049 -0.523 . . . . 74.42 111.342 -178.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -53.29 -30.33 38.13 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.678 -0.692 . . . . 73.03 112.295 -169.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -48.29 82.24 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.334 -0.394 . . . . 75.34 111.191 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.459 ' CZ ' ' HA ' ' A' ' 103' ' ' MET . 28.6 p90 -97.85 -13.54 21.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 75.01 111.497 -176.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' A' ' 103' ' ' MET . 27.1 mmt180 -68.71 133.87 49.01 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.341 -0.615 . . . . 74.14 109.341 173.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 122.22 -21.01 7.87 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.407 -0.901 . . . . 71.45 111.851 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.525 ' HA ' ' HB2' ' A' ' 71' ' ' LYS . 51.6 mt -79.02 -29.24 13.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.346 0.594 . . . . 75.14 109.967 177.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -127.17 156.6 41.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.516 -0.765 . . . . 71.24 109.599 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.551 ' HA ' HG23 ' A' ' 74' ' ' ILE . 15.5 t -74.18 155.66 38.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.964 0.411 . . . . 72.22 110.51 -175.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.434 ' HE1' ' HD2' ' A' ' 107' ' ' ARG . 36.6 m-85 -103.07 151.78 22.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.136 -0.483 . . . . 75.41 110.407 -176.008 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -96.17 98.38 10.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.861 0.839 . . . . 65.4 110.756 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -131.66 143.87 50.61 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.287 -0.869 . . . . 75.21 109.207 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . 0.781 ' HA ' ' HA2' ' A' ' 13' ' ' GLY . 95.8 t -95.89 121.46 46.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.291 0.567 . . . . 62.21 111.592 -176.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 30.7 mmtm -147.56 172.21 14.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.641 -1.163 . . . . 75.33 107.92 172.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -140.44 40.66 1.9 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.898 0.38 . . . . 60.21 110.602 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -143.25 4.91 1.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.386 -0.37 . . . . 61.01 110.934 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.66 2.49 18.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.622 0.725 . . . . 75.43 109.385 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . 0.581 ' HA2' ' ND2' ' A' ' 124' ' ' ASN . . . -81.29 90.67 1.42 Allowed Glycine 0 N--CA 1.439 -1.109 0 CA-C-N 114.918 -1.037 . . . . 73.3 112.614 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -64.84 173.94 2.07 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.73 -0.47 . . . . 63.21 109.73 173.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -45.33 -53.79 8.04 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.995 0.739 . . . . 72.15 112.995 -174.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -76.42 -26.84 55.94 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.336 -0.393 . . . . 74.23 111.55 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.581 ' ND2' ' HA2' ' A' ' 120' ' ' GLY . 51.2 t30 -76.33 -42.27 45.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.952 0.406 . . . . 71.35 110.719 -177.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.52 -28.26 68.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.146 0.498 . . . . 72.54 110.518 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 53.6 t80 -64.32 -32.17 73.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.901 -0.591 . . . . 65.21 110.805 178.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 44.2 t -65.51 -44.12 94.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.975 0.417 . . . . 74.03 109.909 177.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.22 -30.71 71.8 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.925 -0.58 . . . . 62.41 110.649 176.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.57 ' HA ' ' NH1' ' A' ' 138' ' ' ARG . 49.4 ttm -58.84 -39.79 82.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.853 -0.612 . . . . 74.21 110.493 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 11.9 tmtt? -78.73 -36.93 42.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.515 -0.311 . . . . 73.21 110.22 176.575 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.29 -52.08 56.53 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.662 0.616 . . . . 63.32 112.662 -174.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -66.16 -30.89 71.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.77 0.319 . . . . 74.13 111.247 -177.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 55.6 m -71.32 -29.08 64.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.887 0.375 . . . . 71.54 110.87 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.61 -20.76 65.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.201 0.524 . . . . 54.52 110.223 175.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 85.8 mt -88.37 -7.1 57.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.606 -0.724 . . . . 73.03 109.836 177.366 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 96.02 18.04 33.02 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.898 -0.668 . . . . 70.54 112.853 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.635 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 61.3 mt -102.09 139.95 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 122.809 -0.23 . . . . 75.01 110.931 -178.312 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.635 ' HG2' ' O ' ' A' ' 137' ' ' ILE . 7.1 ptp85 70.34 142.91 0.05 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.252 1.421 . . . . 73.4 113.02 175.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 57.24 168.35 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 114.294 -1.321 . . . . 73.31 112.003 -178.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 91.2 mt -83.53 -47.9 10.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.509 0.559 . . . . 62.25 112.509 -174.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -140.01 -37.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.409 0.892 . . . . 73.21 113.409 -171.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -127.3 121.32 30.77 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.215 -0.303 . . . . 73.35 110.698 -173.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -71.74 60.42 0.36 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.743 0.782 . . . . 73.24 111.41 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -141.57 10.7 2.06 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.821 -1.177 . . . . 74.41 107.821 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -111.59 175.04 5.59 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 114.753 -1.112 . . . . 65.15 109.557 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -146.92 88.8 1.76 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.092 0.472 . . . . 71.15 110.045 172.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 3.8 m80 . . . . . 0 C--O 1.245 0.858 0 CA-C-N 115.481 -0.781 . . . . 71.54 109.851 179.106 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tmt? . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 107.984 -1.117 . . . . 64.1 107.984 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -81.36 73.11 8.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.557 0.694 . . . . 70.34 109.181 175.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.97 103.73 9.56 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.88 -1.054 . . . . 74.53 109.658 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -108.56 -0.72 20.16 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.073 -0.967 . . . . 71.04 110.382 -175.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.1 p -73.16 146.47 45.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.617 -0.719 . . . . 74.13 111.391 -178.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -62.91 137.49 58.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.877 -0.601 . . . . 63.12 110.111 174.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.834 ' HB2' HG22 ' A' ' 72' ' ' ILE . 57.5 m-85 -72.95 137.66 45.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.146 0.498 . . . . 73.32 111.354 -174.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -116.24 134.06 55.33 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.258 -1.015 . . . . 75.42 108.258 173.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.69 119.17 51.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.53 0.681 . . . . 72.31 111.044 -173.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.414 ' CE2' ' HB2' ' A' ' 123' ' ' PHE . 42.5 m-85 -106.39 144.46 33.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.867 -0.606 . . . . 73.24 110.979 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.671 HG22 HD11 ' A' ' 75' ' ' LEU . 1.2 t -140.74 101.85 4.17 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.73 -0.668 . . . . 61.3 109.748 177.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -91.4 136.57 33.02 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.155 0.503 . . . . 74.53 110.47 -176.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.01 31.43 1.86 Allowed Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 110.369 -1.092 . . . . 53.32 110.369 175.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.0 t -85.93 103.54 14.74 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.162 -0.519 . . . . 75.32 110.453 -175.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.646 ' HB3' ' HB3' ' A' ' 20' ' ' TYR . 19.0 p90 -60.29 133.82 56.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.882 -0.599 . . . . 75.15 110.803 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.618 HG22 HD21 ' A' ' 17' ' ' ASN . 8.5 p -125.06 132.32 71.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.855 -0.612 . . . . 64.52 110.081 -177.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.618 HD21 HG22 ' A' ' 16' ' ' VAL . 38.6 m-80 59.65 27.72 17.01 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.915 -176.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.6 -0.42 88.21 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.942 -0.647 . . . . 71.23 113.029 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -112.6 126.69 55.63 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.59 -0.359 . . . . 74.32 110.69 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.646 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 32.6 p90 -103.48 159.91 15.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.106 -0.497 . . . . 75.02 111.339 -176.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.99 169.85 22.5 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.654 -0.869 . . . . 62.43 108.654 176.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 22.1 p-90 -137.32 129.72 29.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.137 0.494 . . . . 71.01 110.272 176.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -144.5 151.93 39.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.768 -0.651 . . . . 74.34 111.108 -174.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -122.7 138.44 54.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.206 -0.452 . . . . 74.15 110.611 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.552 ' HB1' ' HB ' ' A' ' 127' ' ' VAL . . . -131.69 109.24 10.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.771 -0.65 . . . . 41.4 110.34 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -99.14 107.28 19.6 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.466 -0.568 . . . . 73.5 109.466 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 p -110.72 139.17 35.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.331 0.586 . . . . 51.44 111.491 -175.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.419 ' O ' ' HD2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -143.87 134.26 24.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.482 -0.781 . . . . 71.12 109.594 177.358 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.5 t70 63.98 8.8 4.15 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.398 0.618 . . . . 72.42 111.781 175.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.93 -6.6 64.39 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.868 -0.682 . . . . 62.02 111.745 -177.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -104.95 159.05 16.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.864 0.364 . . . . 64.43 110.307 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.7 t -85.96 118.16 32.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.257 -0.429 . . . . 75.13 110.4 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -87.0 -38.72 16.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.151 -0.477 . . . . 63.12 109.997 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -153.58 142.99 21.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.908 -0.587 . . . . 73.03 110.15 175.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -145.94 139.74 26.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.305 -0.407 . . . . 74.25 110.146 177.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -167.04 146.29 5.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.58 -0.526 . . . . 75.33 109.58 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -141.95 134.85 28.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.634 -0.257 . . . . 63.14 111.056 -176.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -138.06 174.96 10.01 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.605 -0.517 . . . . 74.5 109.605 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.8 m -128.99 168.33 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-O 120.751 0.31 . . . . 74.13 111.246 -175.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.22 122.08 0.34 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.976 -0.63 . . . . 70.23 113.044 175.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' N ' ' HE1' ' A' ' 20' ' ' TYR . 58.9 mtpt -111.57 87.73 2.62 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.434 -0.58 . . . . 71.33 109.434 176.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -126.68 153.54 75.62 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.288 -0.869 . . . . 64.01 110.122 -177.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.52 -26.82 83.65 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.527 2.151 . . . . 50.04 112.122 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.23 -25.5 63.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 72.44 111.113 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.27 3.98 19.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.344 -0.389 . . . . 74.14 111.026 -177.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.73 -35.26 33.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.373 -0.376 . . . . 61.21 110.851 178.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.2 m -90.33 -35.1 15.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.03 0.443 . . . . 71.12 111.066 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.9 ptm -118.03 80.08 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.46 0.648 . . . . 74.24 111.245 -175.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.46 ' C ' ' H ' ' A' ' 51' ' ' VAL . 14.5 ptt180 -132.42 -24.24 2.05 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.746 -0.661 . . . . 73.0 111.033 176.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 73.08 -30.68 0.21 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.56 0.744 . . . . 74.24 112.085 175.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.46 ' H ' ' C ' ' A' ' 49' ' ' ARG . 45.2 t -50.61 -27.49 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 123.816 0.847 . . . . 73.14 112.006 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.54 -30.3 12.69 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.258 0.466 . . . . 72.42 112.258 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.87 -35.47 58.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.82 -0.705 . . . . 74.1 112.179 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -71.29 -44.78 64.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.718 0.294 . . . . 73.33 110.958 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.2 pt -69.09 -31.37 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.851 0.358 . . . . 62.3 110.94 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.86 -39.38 90.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.289 -0.414 . . . . 75.55 110.299 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.41 73.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.055 -0.52 . . . . 62.2 110.604 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.527 ' O ' HG22 ' A' ' 62' ' ' VAL . . . -66.36 -36.64 83.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.969 -0.56 . . . . 63.44 110.509 176.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.25 -43.21 95.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 71.33 110.436 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -64.6 -33.9 77.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 72.54 110.403 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.67 -37.04 85.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 64.52 110.733 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 58' ' ' ALA . 91.4 t -61.54 -39.02 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-O 121.171 0.51 . . . . 72.24 110.37 176.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.97 -40.18 95.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.725 -0.67 . . . . 73.11 110.588 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -73.71 -33.6 64.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.036 -0.529 . . . . 74.43 110.653 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.62 -27.79 51.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.886 -0.597 . . . . 60.52 111.965 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.3 t -56.11 -36.66 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.412 -0.358 . . . . 72.24 110.739 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -71.16 -30.67 66.74 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.139 -0.482 . . . . 60.2 111.06 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.6 mp -89.71 -17.22 28.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.22 -0.445 . . . . 62.53 110.906 -177.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.33 47.24 23.45 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.96 -0.638 . . . . 75.52 112.004 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.8 m -129.49 168.65 22.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 110.322 -0.251 . . . . 74.31 110.322 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.508 ' HE2' ' O ' ' A' ' 108' ' ' GLY . 15.8 ptpt -131.04 173.53 10.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.488 -0.324 . . . . 64.15 110.613 -179.101 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.834 HG22 ' HB2' ' A' ' 7' ' ' TYR . 16.1 pt -131.47 153.75 39.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 116.439 -0.346 . . . . 75.14 110.509 173.692 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 73' ' ' ARG . 46.8 mtp180 -96.92 102.18 13.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 61.34 110.41 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 33.6 mt -93.48 142.02 13.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.693 -0.231 . . . . 73.43 110.804 -175.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.671 HD11 HG22 ' A' ' 11' ' ' THR . 2.3 pt? -61.11 -179.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.154 0.502 . . . . 61.42 110.817 173.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -87.2 -174.1 4.72 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.858 -0.337 . . . . 75.3 111.808 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.3 t70 62.39 -157.58 0.33 Allowed 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 115.43 -0.804 . . . . 60.21 109.004 -171.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 40.1 t80 66.16 6.26 4.07 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.498 0.666 . . . . 74.54 110.647 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.24 -13.79 61.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.743 -0.662 . . . . 54.53 111.425 -177.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.436 ' HA2' ' CE2' ' A' ' 83' ' ' PHE . . . -53.69 -45.08 69.38 Favored Glycine 0 CA--C 1.517 0.205 0 CA-C-N 116.196 -0.456 . . . . 70.34 112.978 -179.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.428 HD12 ' N ' ' A' ' 82' ' ' ALA . 2.8 pp -75.71 -19.42 15.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.063 0.459 . . . . 62.41 111.561 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.428 ' N ' HD12 ' A' ' 81' ' ' ILE . . . -87.27 1.96 51.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.535 -0.302 . . . . 75.33 111.578 -175.618 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.784 ' HB3' ' HB3' ' A' ' 88' ' ' GLU . 11.1 m-85 -70.38 -13.22 62.05 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.2 0.444 . . . . 71.15 112.2 -177.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -73.67 -39.33 64.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.214 0.53 . . . . 54.45 109.941 176.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.83 -18.19 29.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.5 -0.773 . . . . 73.24 111.397 -175.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.9 p -104.71 -39.24 6.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.297 -0.411 . . . . 75.1 111.524 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 108.76 94.55 2.34 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.96 -0.638 . . . . 54.35 112.102 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.784 ' HB3' ' HB3' ' A' ' 83' ' ' PHE . 15.9 pt-20 -67.93 -21.55 65.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.356 0.598 . . . . 72.51 110.099 177.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -140.67 149.65 42.51 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.947 -1.131 . . . . 73.43 107.947 172.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -62.34 111.54 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.625 0.726 . . . . 71.25 111.358 -176.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.588 ' HB2' ' HB ' ' A' ' 96' ' ' THR . . . -76.94 112.31 13.42 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.561 -0.745 . . . . 61.32 110.757 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -97.02 -34.81 11.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.37 -0.377 . . . . 64.35 110.495 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -165.65 20.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.185 0.517 . . . . 74.24 110.56 176.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -82.09 -176.4 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.684 -0.689 . . . . 61.25 111.031 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -69.87 -28.93 66.06 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.953 -0.567 . . . . 73.3 110.473 176.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.588 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 6.5 m -49.52 -35.26 19.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.604 -0.726 . . . . 71.21 111.972 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.427 ' HG3' ' CB ' ' A' ' 91' ' ' ALA . 12.3 mt-30 -62.63 -34.01 76.17 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.735 0.272 . . . . 73.01 111.735 178.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.08 -31.7 58.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.15 0.5 . . . . 71.05 110.717 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -76.17 -30.58 58.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.639 . . . . 74.11 111.255 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.0 -15.06 52.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.316 0.579 . . . . 74.43 110.18 174.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.412 ' HG2' HD22 ' A' ' 102' ' ' LEU . 62.8 tttp -75.66 118.5 18.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.44 -0.8 . . . . 73.32 110.585 -177.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.412 HD22 ' HG2' ' A' ' 101' ' ' LYS . 4.2 mm? 63.21 22.47 13.38 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.55 -0.75 . . . . 72.31 112.19 177.006 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -27.36 67.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.632 0.73 . . . . 70.21 109.436 172.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.558 ' HA ' ' HB3' ' A' ' 107' ' ' ARG . 64.5 t30 -61.77 -22.41 65.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.74 -1.118 . . . . 60.2 111.14 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.05 -44.69 79.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.703 -0.68 . . . . 72.52 110.407 177.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.491 ' HH ' HG12 ' A' ' 62' ' ' VAL . 62.0 t80 -87.2 -25.57 23.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.874 -0.603 . . . . 74.02 110.3 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.561 ' HA ' ' CE1' ' A' ' 110' ' ' TYR . 28.7 ttt180 -63.71 144.08 57.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.755 -0.657 . . . . 73.54 110.657 178.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . 0.508 ' O ' ' HE2' ' A' ' 71' ' ' LYS . . . 122.12 -38.44 2.59 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.76 -0.936 . . . . 64.02 110.76 -175.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.1 mt -73.19 -39.27 56.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.837 0.827 . . . . 73.42 109.175 174.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.561 ' CE1' ' HA ' ' A' ' 107' ' ' ARG . 36.2 p90 -104.33 145.49 30.17 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.299 -0.864 . . . . 64.53 109.047 173.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 27.5 p -159.16 141.76 14.06 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.332 -0.618 . . . . 60.34 109.332 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 67.4 m-85 -101.89 136.46 41.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.905 0.383 . . . . 75.04 110.028 -177.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -138.06 140.49 40.06 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.136 -0.484 . . . . 73.11 109.771 -177.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.445 ' H ' ' HG2' ' A' ' 114' ' ' LYS . 17.7 pttt -84.82 128.02 34.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.87 0.367 . . . . 74.32 110.986 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.9 p -131.61 112.33 20.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.382 0.611 . . . . 71.11 110.757 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -153.1 95.63 1.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.534 -0.913 . . . . 64.05 108.534 177.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -155.45 158.79 39.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.022 -0.536 . . . . 64.01 110.738 -176.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -92.63 -17.8 23.88 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.906 -0.776 . . . . 72.22 108.906 173.63 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.3 m -82.45 35.55 0.45 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.151 -0.932 . . . . 62.42 111.08 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -66.2 144.84 46.82 Favored Glycine 0 N--CA 1.431 -1.636 0 N-CA-C 111.668 -0.573 . . . . 71.32 111.668 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -67.62 177.02 2.15 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.005 -0.598 . . . . 73.11 111.368 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -49.1 -47.4 45.25 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.785 -0.643 . . . . 75.13 112.264 -176.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.414 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 50.4 m-85 -64.77 -26.73 68.48 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.834 -0.621 . . . . 74.52 111.459 -174.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.426 ' C ' HD21 ' A' ' 124' ' ' ASN . 0.2 OUTLIER -71.0 -43.37 68.14 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.422 -0.585 . . . . 73.15 109.422 178.903 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.409 ' HA ' ' HB3' ' A' ' 128' ' ' ASP . 31.7 t70 -73.43 -29.27 62.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.357 0.598 . . . . 73.14 110.109 178.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -62.53 -48.77 78.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.507 -0.77 . . . . 74.44 110.789 177.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.552 ' HB ' ' HB1' ' A' ' 25' ' ' ALA . 8.9 p -74.67 -27.61 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 121.003 0.43 . . . . 74.33 110.243 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.409 ' HB3' ' HA ' ' A' ' 125' ' ' ASP . 2.0 t70 -60.69 -46.34 90.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.905 -0.589 . . . . 74.02 110.387 174.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -59.77 -37.33 78.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 64.11 110.476 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -61.77 -47.42 85.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 75.24 110.649 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.7 93.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.935 -0.575 . . . . 73.43 111.363 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.442 ' HE3' HG12 ' A' ' 16' ' ' VAL . 31.6 mttp -59.12 -39.64 82.92 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.487 -0.324 . . . . 61.45 111.116 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 50.8 m -61.06 -30.79 70.54 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.193 -0.458 . . . . 62.03 111.265 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.68 -17.75 57.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 61.02 111.256 178.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 98.1 mt -94.22 -17.43 22.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.272 -0.422 . . . . 72.54 110.954 -178.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 95.21 -7.3 69.24 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.714 -0.755 . . . . 73.22 111.408 -176.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 63.2 mt -82.32 128.8 38.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.104 -0.702 . . . . 52.2 109.104 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 63.82 53.52 1.94 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 122.081 0.943 . . . . 73.44 109.287 -174.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.696 ' HB3' ' HB2' ' A' ' 142' ' ' HIS . 24.3 t70 -97.18 140.84 31.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.866 -1.061 . . . . 72.44 109.476 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.9 tt -60.03 -32.93 71.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.33 -0.395 . . . . 73.43 111.741 -175.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -102.36 15.0 30.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.941 0.4 . . . . 74.43 110.84 -176.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.696 ' HB2' ' HB3' ' A' ' 139' ' ' ASP . 44.1 t-80 -90.8 119.09 30.73 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.154 -0.684 . . . . 74.21 109.154 176.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -73.27 158.58 34.89 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.181 -0.463 . . . . 70.35 110.616 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -100.09 123.05 43.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.797 -0.638 . . . . 74.51 109.774 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -71.93 -39.09 69.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.485 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -92.29 117.26 29.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.951 -0.568 . . . . 72.21 109.962 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 . . . . . 0 C--O 1.245 0.832 0 CA-C-O 118.415 -0.802 . . . . 74.42 110.429 179.266 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 110.113 -0.329 . . . . 63.11 110.113 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -114.63 75.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.628 -0.26 . . . . 74.12 111.141 -177.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 70.2 m-20 44.98 77.88 0.07 Allowed 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.086 0.866 . . . . 74.35 112.74 177.058 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -121.4 12.52 10.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.519 0.676 . . . . 73.24 109.902 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.27 175.13 7.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.132 -0.94 . . . . 70.12 111.0 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.434 ' CD ' ' HD3' ' A' ' 73' ' ' ARG . 32.2 tt0 -71.8 114.07 9.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.236 -0.438 . . . . 75.54 109.964 178.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 42.1 m-85 -73.21 127.79 33.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.969 -0.559 . . . . 75.04 110.845 -176.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.522 ' O ' HG13 ' A' ' 27' ' ' VAL . 14.6 p-10 -109.29 110.25 21.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.409 0.623 . . . . 71.12 110.196 177.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 52.4 t -107.99 136.08 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.923 -0.581 . . . . 63.54 110.629 -175.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.535 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 9.2 m-85 -110.67 133.05 53.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.251 0.548 . . . . 74.2 110.639 177.662 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.2 m -142.1 140.32 32.47 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.941 -0.762 . . . . 74.42 108.941 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.711 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -80.35 160.36 25.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.341 0.591 . . . . 71.21 110.971 -175.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.637 ' HA3' ' HA ' ' A' ' 114' ' ' LYS . . . -157.65 30.68 0.51 Allowed Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.214 -1.154 . . . . 73.52 110.214 174.311 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.8 p -100.16 109.04 21.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.268 0.556 . . . . 70.24 111.877 -171.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -105.95 126.85 52.68 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.324 -0.621 . . . . 72.35 109.324 175.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.481 HG23 ' ND2' ' A' ' 17' ' ' ASN . 14.1 p -146.69 143.59 20.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 110.123 -0.325 . . . . 72.04 110.123 -177.401 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.481 ' ND2' HG23 ' A' ' 16' ' ' VAL . 57.8 m-80 60.69 27.2 16.94 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.938 0.495 . . . . 64.45 110.948 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.59 19.04 68.66 Favored Glycine 0 CA--C 1.52 0.372 0 CA-C-N 116.089 -0.505 . . . . 72.22 113.141 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.484 ' OE1' ' HB3' ' A' ' 135' ' ' LEU . 8.1 pt20 -131.36 147.61 52.59 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.852 -0.425 . . . . 74.13 109.852 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -141.68 138.1 32.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.014 0.435 . . . . 73.31 111.048 -175.018 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.3 141.99 51.76 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.312 -0.996 . . . . 74.21 108.312 172.21 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 49.5 p-90 -89.81 130.3 36.08 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.509 -0.477 . . . . 74.53 110.749 -175.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.711 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . . . -126.76 136.53 52.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.014 -0.539 . . . . 74.34 111.762 -179.023 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -125.59 138.51 53.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 75.14 109.91 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.58 ' HB1' HG11 ' A' ' 127' ' ' VAL . . . -133.81 104.07 6.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.939 0.4 . . . . 74.31 110.699 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -92.3 98.38 11.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.435 0.636 . . . . 74.45 110.025 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 8' ' ' ASP . 1.9 p -115.75 142.05 30.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 114.919 -1.037 . . . . 73.14 110.13 -176.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.428 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -127.75 118.4 23.71 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.59 -0.522 . . . . 75.5 109.59 179.214 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.4 t70 65.9 22.1 11.37 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.759 0.79 . . . . 72.44 110.373 175.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.96 8.85 64.52 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.638 -0.792 . . . . 62.04 112.607 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -112.14 121.66 45.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.954 -0.388 . . . . 64.44 109.954 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.407 HG23 ' HB ' ' A' ' 27' ' ' VAL . 38.6 t -90.7 104.15 15.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.881 -0.6 . . . . 55.1 109.665 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -30.2 50.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.203 -0.453 . . . . 75.3 110.48 -175.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.469 ' HH ' ' HB3' ' A' ' 58' ' ' ALA . 31.9 p90 -168.67 140.54 2.69 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.877 -0.601 . . . . 74.11 110.369 176.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.63 162.16 40.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.609 . . . . 73.52 109.606 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -173.98 171.89 3.54 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.881 0.372 . . . . 75.43 111.121 175.717 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.19 142.23 17.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.701 -0.681 . . . . 53.0 109.616 -177.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -153.72 176.3 12.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.895 0.379 . . . . 70.05 110.683 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 m -106.98 168.01 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 115.996 -0.547 . . . . 71.02 110.856 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.22 81.18 0.4 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.775 -0.726 . . . . 60.11 112.884 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -77.54 98.95 5.53 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.605 -0.517 . . . . 71.52 109.605 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -138.06 153.25 73.24 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.024 -0.535 . . . . 75.42 110.213 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.06 -46.56 32.22 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.92 2.413 . . . . 74.24 112.368 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.62 -37.6 81.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.529 -0.305 . . . . 71.44 111.359 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.0 -33.76 76.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 64.44 111.012 -178.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.39 -16.21 46.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.121 -0.49 . . . . 72.41 111.298 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.49 HG21 ' HG3' ' A' ' 48' ' ' MET . 26.6 m -95.56 -51.46 4.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.393 -0.367 . . . . 75.12 111.47 -177.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.49 ' HG3' HG21 ' A' ' 47' ' ' THR . 60.2 mtm -144.49 89.41 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.621 0.248 . . . . 74.4 110.507 -175.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.438 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -167.47 61.37 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.046 -0.353 . . . . 74.52 110.046 -178.785 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 64.19 -78.18 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.926 -0.579 . . . . 73.11 112.283 174.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.5 t -58.73 -29.11 39.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.148 0.499 . . . . 75.21 110.589 -179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.19 -29.45 32.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.235 -0.893 . . . . 73.43 112.162 -179.631 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.27 98.87 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.548 -0.834 . . . . 75.44 112.229 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -65.32 -46.12 81.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.955 0.407 . . . . 74.23 110.931 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 27.2 pt -73.16 -32.62 39.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.305 -0.407 . . . . 74.03 111.629 -176.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.43 98.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.967 0.413 . . . . 74.1 110.353 175.45 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.417 ' HA ' ' HD2' ' A' ' 60' ' ' TYR . . . -65.8 -37.74 87.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.993 -0.548 . . . . 74.32 110.655 177.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.469 ' HB3' ' HH ' ' A' ' 34' ' ' TYR . . . -68.87 -32.7 72.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.976 -0.557 . . . . 64.21 110.984 178.467 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.0 tp -61.81 -35.94 79.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.106 -0.497 . . . . 71.32 110.497 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.526 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 33.6 m-85 -60.3 -37.07 79.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.079 -0.51 . . . . 73.44 110.644 177.123 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.31 -35.79 80.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 75.43 110.645 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.5 t -72.21 -36.24 55.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.233 0.539 . . . . 73.43 110.142 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.468 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 7.6 tmtm? -62.9 -32.99 74.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.615 -0.721 . . . . 63.53 109.879 177.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 60' ' ' TYR . 94.8 mttt -73.02 -38.76 66.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.097 -0.501 . . . . 71.13 110.419 175.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.55 -44.37 85.16 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.535 -0.757 . . . . 65.41 112.472 -173.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.9 p -62.32 -35.46 79.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.981 0.419 . . . . 75.31 111.203 -177.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -83.18 -28.42 29.34 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.238 -0.437 . . . . 73.52 110.764 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.2 tp -76.02 -20.4 57.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.983 -0.553 . . . . 54.42 110.555 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.55 34.16 12.27 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.886 -0.673 . . . . 71.05 111.766 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.59 170.31 19.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.011 0.434 . . . . 65.21 110.363 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.49 ' HA ' HG21 ' A' ' 109' ' ' ILE . 19.8 ptpt -153.18 179.16 8.98 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.268 -0.642 . . . . 72.23 109.268 179.104 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -108.0 145.24 15.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 108.741 -0.837 . . . . 65.44 108.741 172.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.434 ' HD3' ' CD ' ' A' ' 6' ' ' GLU . 63.8 mtp180 -84.31 109.26 17.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.37 0.605 . . . . 65.12 110.443 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.652 ' HB ' ' HD2' ' A' ' 76' ' ' HIS . 38.2 pt -69.06 140.31 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.519 -1.219 . . . . 75.2 112.45 -172.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.3 tp -98.97 60.08 1.2 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.41 -0.814 . . . . 75.12 109.845 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.652 ' HD2' ' HB ' ' A' ' 74' ' ' ILE . 4.8 p80 -172.43 172.11 4.48 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.238 -0.437 . . . . 74.14 110.291 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -90.39 -83.03 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 O-C-N 123.159 0.287 . . . . 74.51 111.16 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.459 ' O ' HG23 ' A' ' 81' ' ' ILE . 47.3 p90 -170.34 -9.2 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 113.068 0.766 . . . . 64.02 113.068 -174.194 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.91 -25.07 58.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.285 0.476 . . . . 51.4 112.285 -172.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.637 ' HA3' ' HG3' ' A' ' 113' ' ' GLU . . . -62.52 -25.51 67.16 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 121.233 -0.508 . . . . 74.24 113.905 -175.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.459 HG23 ' O ' ' A' ' 78' ' ' TYR . 12.4 tt -64.93 -21.35 29.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 117.186 0.493 . . . . 74.2 111.126 -176.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.682 ' HB1' ' HA ' ' A' ' 90' ' ' LYS . . . -66.32 -32.56 74.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.111 0.481 . . . . 74.54 110.566 179.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -81.88 -21.13 37.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.897 -0.592 . . . . 73.41 109.984 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -73.66 -36.16 65.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.786 -0.643 . . . . 63.43 110.082 174.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.78 -50.62 72.72 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.365 -0.834 . . . . 62.4 112.007 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.0 t -141.44 -44.58 0.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.739 -0.385 . . . . 74.25 111.359 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.43 -47.29 1.03 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.317 -0.944 . . . . 54.1 112.985 177.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -60.18 -53.51 56.86 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.905 0.383 . . . . 75.13 111.706 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 1.5 p90 -157.31 -174.71 5.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.124 -0.489 . . . . 73.52 110.781 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.682 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 53.4 mtmt -74.08 165.79 24.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.772 -0.649 . . . . 61.54 109.899 178.269 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.15 95.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.151 0.501 . . . . 51.14 111.496 -176.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -91.75 -48.25 6.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.39 -0.823 . . . . 74.3 110.354 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.532 ' HB2' ' OG1' ' A' ' 96' ' ' THR . 16.0 m120 -84.87 150.99 24.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.565 -0.743 . . . . 62.11 110.645 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.68 -38.08 83.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.453 -0.794 . . . . 75.14 111.459 -174.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -72.38 -32.86 66.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.216 0.532 . . . . 73.34 110.124 176.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.532 ' OG1' ' HB2' ' A' ' 93' ' ' ASN . 22.9 m -63.68 -37.81 88.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.796 -0.638 . . . . 74.44 110.409 175.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -60.95 -35.34 76.5 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.224 -0.444 . . . . 74.33 111.197 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.53 -45.31 59.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.016 -0.538 . . . . 74.3 110.474 177.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -62.46 -35.21 78.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.055 -0.52 . . . . 74.13 110.308 177.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.77 -36.43 83.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 72.24 110.746 177.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -76.74 -22.6 53.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.23 110.082 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.493 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 59.6 tp -69.96 -35.65 74.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.172 0.511 . . . . 65.1 109.712 174.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 96.4 mmm -75.17 -29.55 60.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.35 0.595 . . . . 75.31 110.272 173.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -62.44 -30.97 71.62 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.213 -0.903 . . . . 74.14 112.566 -173.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.493 ' HG3' ' O ' ' A' ' 102' ' ' LEU . 3.9 pp0? -62.77 -18.56 62.85 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.082 0.401 . . . . 72.24 112.082 -178.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -80.01 -25.8 40.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.42 0.629 . . . . 72.11 109.764 176.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.419 ' HD2' HD12 ' A' ' 81' ' ' ILE . 72.8 ttt180 -79.79 142.59 35.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.349 -0.842 . . . . 72.5 110.329 179.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 148.16 -65.92 0.4 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.839 -0.696 . . . . 52.23 111.411 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.49 HG21 ' HA ' ' A' ' 71' ' ' LYS . 3.9 mp -80.18 -34.69 15.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.419 -0.585 . . . . 73.12 109.419 176.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 39.8 t80 -137.82 144.32 41.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.378 -0.828 . . . . 70.24 109.496 -179.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.415 ' HB3' ' HG3' ' A' ' 107' ' ' ARG . 85.4 p -173.87 137.65 0.59 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.212 -0.662 . . . . 65.24 109.212 173.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -135.98 172.47 12.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.325 0.583 . . . . 75.33 112.039 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.637 ' HG3' ' HA3' ' A' ' 80' ' ' GLY . 13.5 tt0 -147.54 154.44 40.73 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.742 -1.117 . . . . 72.41 108.545 -171.224 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.637 ' HA ' ' HA3' ' A' ' 13' ' ' GLY . 53.2 mtpt -70.82 92.37 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.083 0.468 . . . . 74.34 110.448 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 49.7 t -86.72 134.55 27.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.659 -0.7 . . . . 74.44 110.79 -176.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -91.31 171.33 9.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.871 -0.604 . . . . 70.14 110.695 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.9 94.55 9.81 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.653 0.612 . . . . 71.15 112.653 -168.53 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -131.09 0.23 4.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.022 -0.535 . . . . 74.42 109.813 169.569 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.6 t -150.66 36.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.643 -0.708 . . . . 61.32 109.479 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.94 97.47 0.26 Allowed Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.789 -0.641 . . . . 73.23 112.901 -176.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -81.19 158.34 24.93 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.809 -0.441 . . . . 64.33 109.809 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.58 -15.44 62.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.424 -0.353 . . . . 74.31 111.691 -173.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -69.54 -34.92 74.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.291 0.567 . . . . 75.53 109.919 174.033 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -77.41 -28.03 52.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.67 -0.696 . . . . 63.11 109.68 177.114 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -56.2 -31.03 63.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.508 -0.769 . . . . 73.2 111.32 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -70.59 -43.45 69.35 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.191 0.441 . . . . 62.41 112.191 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.69 ' HB ' ' HB2' ' A' ' 23' ' ' ALA . 30.0 m -74.51 -28.82 22.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.361 -0.536 . . . . 71.5 109.887 176.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.72 -47.73 84.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.669 -0.696 . . . . 63.25 110.111 173.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 70.2 mtm -61.68 -44.81 96.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.582 . . . . 72.14 111.133 177.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -59.82 -44.26 94.11 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.644 0.259 . . . . 75.01 111.031 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.48 -45.75 92.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.933 0.397 . . . . 43.34 110.904 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.683 ' HB3' ' HB ' ' A' ' 137' ' ' ILE . 82.0 mttt -67.64 -34.4 76.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 72.44 111.404 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 56.1 m -61.91 -39.05 90.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.021 0.438 . . . . 71.51 110.637 177.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.32 -22.83 61.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.036 -0.529 . . . . 72.11 111.195 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.484 ' HB3' ' OE1' ' A' ' 19' ' ' GLN . 98.3 mt -97.56 -17.94 19.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 71.1 111.52 -176.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 93.1 23.04 25.95 Favored Glycine 0 C--O 1.237 0.302 0 C-N-CA 120.738 -0.744 . . . . 73.33 112.234 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.683 ' HB ' ' HB3' ' A' ' 132' ' ' LYS . 55.0 mt -90.27 148.96 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.692 -0.485 . . . . 62.44 109.692 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.473 ' HG3' HG22 ' A' ' 137' ' ' ILE . 81.5 mtp180 62.01 52.77 3.21 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.44 0.638 . . . . 71.41 110.208 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -117.48 147.88 42.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.253 -0.885 . . . . 71.42 109.889 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.3 mp -70.66 -45.1 65.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.525 -0.307 . . . . 73.31 111.804 -174.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -91.23 -0.82 57.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.016 0.376 . . . . 75.11 112.016 -173.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -70.08 100.17 1.59 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.728 -1.212 . . . . 73.43 107.728 170.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.452 ' CD2' ' HB3' ' A' ' 145' ' ' HIS . 8.0 t60 -43.44 104.91 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 O-C-N 124.19 0.932 . . . . 61.33 113.18 -164.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -87.77 80.78 7.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.754 -0.657 . . . . 73.42 109.494 177.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . 0.452 ' HB3' ' CD2' ' A' ' 143' ' ' HIS . 58.7 t-80 177.95 143.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.982 -1.118 . . . . 74.53 107.982 -177.081 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -124.75 144.75 50.08 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.38 -0.528 . . . . 72.42 110.733 -179.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.552 -0.737 . . . . 75.14 109.84 177.051 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttt . . . . . 0 N--CA 1.484 1.255 0 N-CA-C 109.277 -0.638 . . . . 62.1 109.277 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -97.17 85.34 3.68 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 106.604 -1.628 . . . . 71.41 106.604 164.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -77.26 75.84 3.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.795 -1.093 . . . . 72.41 111.565 -163.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -137.7 2.23 2.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.484 -0.78 . . . . 70.34 110.106 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.95 96.61 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.213 0.449 . . . . 71.24 112.213 -169.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 43.9 101.77 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.51 1.124 . . . . 62.5 113.474 171.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.919 ' HB2' HG23 ' A' ' 72' ' ' ILE . 15.5 m-85 -73.01 125.65 28.13 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.225 -0.658 . . . . 75.13 109.225 178.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.512 ' O ' HG13 ' A' ' 27' ' ' VAL . 19.1 t70 -112.19 91.32 3.61 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.271 -0.422 . . . . 71.33 109.918 -174.238 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.612 HG13 HD23 ' A' ' 75' ' ' LEU . 41.1 t -99.71 115.93 41.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.898 -0.592 . . . . 62.54 110.113 -176.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.708 ' HA ' HD13 ' A' ' 75' ' ' LEU . 17.9 p90 -146.57 137.58 24.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.971 0.415 . . . . 74.21 111.506 -177.256 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.854 HG21 ' HA ' ' A' ' 24' ' ' TYR . 29.1 m -156.5 140.8 16.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.166 -0.679 . . . . 53.33 109.166 175.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.554 ' HB2' ' HB1' ' A' ' 117' ' ' ALA . 23.8 t70 -94.15 144.58 25.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.635 0.255 . . . . 72.2 110.527 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.76 66.2 3.79 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.866 -0.683 . . . . 63.11 111.712 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.2 m -71.2 152.78 43.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.101 0.477 . . . . 71.35 111.764 -176.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -131.55 171.14 13.78 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.099 -0.704 . . . . 72.25 109.099 177.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.514 HG22 HD21 ' A' ' 17' ' ' ASN . 13.5 p -154.84 134.62 3.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.726 0.298 . . . . 72.21 110.591 178.262 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.514 HD21 HG22 ' A' ' 16' ' ' VAL . 45.1 m-80 63.66 27.93 14.92 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.968 -0.56 . . . . 71.04 111.149 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.86 8.49 77.8 Favored Glycine 0 C--O 1.227 -0.298 0 C-N-CA 120.624 -0.798 . . . . 73.32 112.091 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -114.39 146.37 40.66 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.514 -0.55 . . . . 72.54 109.514 178.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -138.25 152.66 48.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.145 0.498 . . . . 72.11 111.424 -177.451 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.528 ' HB2' ' O ' ' A' ' 38' ' ' ASP . . . -140.88 167.41 22.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.095 -0.957 . . . . 61.5 108.716 178.112 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.424 ' NE1' ' HB3' ' A' ' 38' ' ' ASP . 60.0 p-90 -96.96 130.46 44.27 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.123 -0.631 . . . . 74.3 110.587 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.56 136.14 10.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.336 -0.847 . . . . 73.15 109.315 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.854 ' HA ' HG21 ' A' ' 11' ' ' THR . 39.5 p90 -162.23 163.31 28.31 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.54 -0.3 . . . . 70.35 110.45 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.38 129.2 30.9 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.104 -0.498 . . . . 75.21 111.259 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.59 ' HA ' HG12 ' A' ' 9' ' ' VAL . 81.1 m-85 -88.1 106.15 17.97 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.44 -0.578 . . . . 74.55 109.44 175.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.512 HG13 ' O ' ' A' ' 8' ' ' ASP . 2.5 p -111.18 128.17 67.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.312 0.577 . . . . 74.1 110.964 -178.671 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.44 120.51 35.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 74.0 110.678 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 62.61 18.7 10.74 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.191 0.519 . . . . 75.44 110.577 176.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.24 0.62 59.69 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.977 -0.556 . . . . 75.34 112.479 -178.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -102.72 134.5 46.01 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.925 -0.162 . . . . 74.41 110.713 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.7 p -79.89 121.4 33.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.242 0.544 . . . . 63.21 110.319 176.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -101.52 -35.8 9.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.335 -0.393 . . . . 64.53 110.932 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -152.43 146.8 25.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.413 -0.358 . . . . 73.1 110.716 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -160.77 151.74 18.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.847 -0.615 . . . . 71.25 110.002 174.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -175.2 169.03 3.34 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.356 -0.384 . . . . 63.32 110.136 173.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -151.03 139.88 20.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.767 0.318 . . . . 72.23 111.054 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.528 ' O ' ' HB2' ' A' ' 21' ' ' ALA . 6.0 t0 -154.39 170.94 20.17 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.098 -1.075 . . . . 55.02 108.098 175.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 28.8 m -93.01 -176.25 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-O 120.536 0.208 . . . . 64.44 110.715 -175.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.26 97.57 0.33 Allowed Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 110.957 -0.857 . . . . 72.41 110.957 173.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.1 mtpp -83.64 179.85 7.51 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.313 0.578 . . . . 73.32 110.791 -173.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.401 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 13.4 m120 -87.12 143.68 35.15 Favored Pre-proline 0 C--N 1.312 -1.059 0 CA-C-N 115.43 -0.805 . . . . 72.22 110.533 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 42' ' ' ASN . 53.0 Cg_exo -55.96 -39.94 88.07 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.013 2.475 . . . . 75.21 112.703 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.05 -17.06 64.45 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.845 0.313 . . . . 60.04 111.845 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.09 -39.24 8.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.077 0.465 . . . . 74.14 110.57 177.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.46 ' HA ' ' HB3' ' A' ' 50' ' ' ASN . . . -67.14 -26.71 66.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.937 -0.574 . . . . 65.35 111.799 -177.643 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.2 p -62.06 -25.06 67.46 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.331 0.493 . . . . 75.31 112.331 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 40.6 ttm -87.72 47.49 1.51 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.395 0.616 . . . . 64.31 110.631 -177.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 7.4 ttm180 56.96 50.39 12.27 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.262 -0.881 . . . . 71.22 111.372 174.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.46 ' HB3' ' HA ' ' A' ' 46' ' ' ALA . 22.9 t-20 -85.18 -78.07 0.27 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.318 -0.401 . . . . 74.11 110.393 177.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 t -66.87 -30.87 51.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.631 0.729 . . . . 65.34 109.715 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.71 -15.39 62.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.117 -0.947 . . . . 74.33 111.533 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.75 -54.29 38.24 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.989 -0.624 . . . . 73.15 113.197 -174.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -63.93 -47.19 81.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.645 0.259 . . . . 74.45 111.404 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.6 pt -67.93 -35.01 70.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.122 0.416 . . . . 73.13 112.122 -176.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.47 -35.24 77.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.892 0.377 . . . . 71.43 110.792 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.41 -39.21 74.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.16 0.505 . . . . 62.34 110.229 176.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 62' ' ' VAL . . . -71.91 -25.71 62.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.81 -0.632 . . . . 72.43 111.109 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.9 tp -58.28 -35.72 72.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.081 0.467 . . . . 72.34 111.104 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.35 -32.22 68.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.038 -0.528 . . . . 75.13 110.107 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.96 -33.93 70.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.994 -0.548 . . . . 74.31 109.791 175.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 58' ' ' ALA . 62.9 t -61.35 -45.97 97.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.811 -0.631 . . . . 71.02 109.648 173.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -60.51 -41.77 95.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.896 -0.593 . . . . 64.02 110.892 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -66.74 -34.76 78.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.484 -0.326 . . . . 64.14 111.588 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.68 -33.16 74.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.363 . . . . 73.31 110.91 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.429 ' HB2' ' CD1' ' A' ' 109' ' ' ILE . 7.2 t -66.95 -32.73 74.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.032 -0.531 . . . . 60.04 110.069 178.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -70.29 -32.42 70.21 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.017 -0.538 . . . . 73.51 111.086 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.3 mp -82.9 -25.22 32.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.027 -0.533 . . . . 73.12 110.306 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.04 34.69 8.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.788 -0.72 . . . . 74.41 112.246 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.0 m -120.96 161.75 20.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.745 0.307 . . . . 75.5 110.665 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -116.42 161.75 18.6 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.067 -0.515 . . . . 71.45 111.108 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.919 HG23 ' HB2' ' A' ' 7' ' ' TYR . 25.9 pt -131.48 176.18 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.239 -0.892 . . . . 74.22 109.78 175.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.402 ' HB2' ' O ' ' A' ' 9' ' ' VAL . 59.4 mtt-85 -100.79 137.85 38.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.307 -0.627 . . . . 73.01 109.307 172.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.453 HG22 ' HD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -107.11 125.95 63.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.654 -0.498 . . . . 65.45 109.654 179.244 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.708 HD13 ' HA ' ' A' ' 10' ' ' TYR . 2.8 mm? -83.4 -74.87 0.35 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.068 -0.515 . . . . 63.24 110.715 -177.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.35 96.15 2.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.957 0.408 . . . . 71.05 111.197 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -141.16 133.72 28.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.536 -0.756 . . . . 72.13 109.777 173.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -131.07 8.24 4.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.389 0.614 . . . . 75.01 109.407 172.757 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.91 -55.15 3.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.505 -0.77 . . . . 73.53 110.686 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.57 -46.09 49.62 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.979 -0.555 . . . . 63.12 112.928 -174.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.4 pt -61.66 -20.35 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 74.24 111.521 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.473 ' O ' HG21 ' A' ' 86' ' ' THR . . . -93.76 -27.3 16.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.882 0.372 . . . . 43.51 110.651 177.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -67.65 -42.01 82.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.9 -0.591 . . . . 71.23 111.866 -173.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -73.34 -11.22 60.41 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.422 -0.511 . . . . 74.24 111.19 -178.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.706 ' HB1' ' HA ' ' A' ' 100' ' ' ALA . . . -90.17 -47.75 7.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.275 0.559 . . . . 50.4 110.208 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.473 HG21 ' O ' ' A' ' 82' ' ' ALA . 14.8 t -98.5 39.0 1.28 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.675 0.75 . . . . 65.45 109.32 177.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.82 -0.33 1.38 Allowed Glycine 0 CA--C 1.525 0.699 0 CA-C-N 115.054 -0.975 . . . . 71.1 115.21 -172.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -78.56 -61.18 2.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.618 0.709 . . . . 62.31 109.67 175.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -157.55 -176.95 6.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.986 -1.007 . . . . 73.41 109.065 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -57.0 132.37 52.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.017 0.437 . . . . 75.04 111.116 178.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.04 93.46 0.2 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.69 -0.686 . . . . 74.33 111.894 -178.354 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -91.74 142.92 27.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.001 -0.545 . . . . 74.31 110.3 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.0 m120 59.58 -155.93 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.859 0.724 . . . . 64.21 110.678 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -104.94 -16.95 14.69 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.389 0.515 . . . . 73.55 112.389 -176.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -64.66 -33.58 76.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.638 -0.425 . . . . 74.45 110.759 -177.778 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.8 p -71.76 -50.44 30.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.1 -0.5 . . . . 64.23 110.499 174.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -52.98 -40.54 63.82 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.582 -0.736 . . . . 72.22 112.073 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . 0.517 ' O ' ' HG2' ' A' ' 101' ' ' LYS . . . -66.08 -32.18 73.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.53 -0.304 . . . . 62.02 111.212 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -79.97 -30.78 39.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.246 0.546 . . . . 75.42 110.181 178.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.706 ' HA ' ' HB1' ' A' ' 85' ' ' ALA . . . -62.61 -30.54 71.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.719 -0.673 . . . . 75.32 112.287 -176.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.517 ' HG2' ' O ' ' A' ' 98' ' ' ALA . 22.3 ptmt -69.6 -14.62 62.93 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.096 -0.242 . . . . 62.51 110.976 -177.642 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.44 -46.24 87.2 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.258 -0.645 . . . . 73.53 109.258 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.421 ' HG2' ' HA ' ' A' ' 85' ' ' ALA . 1.8 mpt? -70.51 -28.29 64.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.849 -0.614 . . . . 75.31 110.404 177.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.514 ' O ' ' HG3' ' A' ' 107' ' ' ARG . 26.6 t-20 -66.51 -32.72 74.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 73.53 110.837 178.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.517 ' CA ' HE21 ' A' ' 105' ' ' GLN . 0.0 OUTLIER -82.05 -39.38 23.56 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.185 -0.461 . . . . 72.23 111.351 173.666 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -70.12 -20.85 63.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.037 -0.529 . . . . 64.1 111.622 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 104' ' ' ASN . 7.3 ppt_? -67.63 141.4 56.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.376 0.607 . . . . 74.04 111.419 -177.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -147.63 23.11 1.5 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 110.642 -0.983 . . . . 73.02 110.642 173.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.447 HG21 ' O ' ' A' ' 62' ' ' VAL . 4.2 mt -96.2 -25.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.191 -0.504 . . . . 73.42 111.418 -173.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -129.05 145.86 51.16 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 120.221 -0.592 . . . . 73.52 111.233 -176.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.5 m -117.53 131.36 56.72 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.544 -0.91 . . . . 75.33 108.544 171.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.453 ' HD1' HG22 ' A' ' 74' ' ' ILE . 89.9 t80 -109.1 135.3 50.46 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.633 -0.427 . . . . 73.34 110.755 -178.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -147.87 122.3 9.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.898 -0.779 . . . . 72.14 108.898 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -78.52 78.89 4.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.431 0.634 . . . . 64.03 109.594 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.4 p -106.49 122.13 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-N 115.66 -0.7 . . . . 75.13 110.805 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.452 ' C ' ' HD3' ' A' ' 116' ' ' LYS . 5.4 tmtm? -78.13 120.16 22.54 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.08 -0.711 . . . . 64.41 109.08 177.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.554 ' HB1' ' HB2' ' A' ' 12' ' ' ASP . . . -69.95 100.9 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.087 0.47 . . . . 61.14 110.399 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -116.13 13.21 15.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.679 -0.691 . . . . 72.23 109.409 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.6 m -72.73 -29.53 63.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.549 -0.75 . . . . 74.24 111.285 -176.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 65.39 44.6 93.05 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.658 -0.782 . . . . 72.14 111.357 -175.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -96.62 177.24 5.73 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.74 -0.467 . . . . 74.21 109.74 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -46.18 -59.5 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.492 0.717 . . . . 70.22 112.187 -178.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -62.35 -26.57 68.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.0 -0.545 . . . . 75.55 111.754 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.415 ' C ' HD21 ' A' ' 124' ' ' ASN . 0.2 OUTLIER -70.88 -50.15 38.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.12 -0.491 . . . . 72.21 109.813 -177.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -75.66 -26.46 57.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.11 -0.496 . . . . 72.41 110.983 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -62.69 -48.46 79.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.632 -0.258 . . . . 72.03 111.086 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.1 p -65.34 -31.48 54.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-O 120.936 0.398 . . . . 64.01 110.603 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -61.26 -50.61 72.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.931 -0.577 . . . . 72.25 109.643 176.02 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 61.5 ttp -68.39 -33.1 73.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.516 -0.765 . . . . 71.23 110.572 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -61.06 -48.57 81.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.81 -0.632 . . . . 61.21 110.144 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -70.25 -32.45 70.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.105 -0.498 . . . . 73.15 110.727 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.688 ' HD2' HD12 ' A' ' 137' ' ' ILE . 21.1 tptm -56.09 -45.71 79.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.767 -0.651 . . . . 63.32 110.216 178.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 34.6 t -75.13 -35.64 61.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.656 -0.702 . . . . 62.14 110.835 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.11 -27.26 67.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 41.2 111.754 -176.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 97.2 mt -84.64 -11.72 55.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.19 0.519 . . . . 65.24 110.102 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.58 23.09 51.86 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.614 -0.803 . . . . 53.05 112.875 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.688 HD12 ' HD2' ' A' ' 132' ' ' LYS . 63.1 mt -74.65 108.81 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.788 -0.449 . . . . 72.42 109.788 178.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -108.15 -167.35 1.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.982 -0.554 . . . . 73.22 111.911 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -86.97 167.48 14.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.479 -0.782 . . . . 62.51 110.748 -177.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 94.3 mt -92.07 -19.07 22.72 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.353 0.501 . . . . 74.32 112.353 -175.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -78.45 -30.91 47.76 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.679 -0.408 . . . . 73.52 110.787 -175.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.407 ' O ' ' HB2' ' A' ' 143' ' ' HIS . 2.0 t-80 -60.82 120.17 9.62 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.541 -0.911 . . . . 43.21 108.541 174.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 142' ' ' HIS . 40.2 m80 64.57 83.02 0.17 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.617 -0.512 . . . . 72.51 109.617 -168.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -84.81 160.14 20.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.037 -0.528 . . . . 71.33 111.435 -174.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -117.02 173.53 6.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.87 -0.605 . . . . 64.11 109.663 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -115.59 161.47 18.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.974 0.416 . . . . 61.31 111.45 -177.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 . . . . . 0 C--O 1.248 1.026 0 CA-C-N 115.694 -0.684 . . . . 73.32 109.731 175.719 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.3 mtt . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 110.014 -0.365 . . . . 73.32 110.014 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -111.81 120.41 41.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.186 0.517 . . . . 60.12 110.763 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.465 ' HB3' ' HE1' ' A' ' 7' ' ' TYR . 1.2 m-20 -104.0 92.42 4.38 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.659 -1.237 . . . . 71.03 107.659 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.9 mtt-85 -93.89 -1.7 54.4 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.902 0.705 . . . . 72.21 112.902 -168.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.0 p -104.38 162.97 12.77 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.631 -0.428 . . . . 75.53 110.862 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.41 140.52 45.37 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.889 -0.411 . . . . 74.44 109.889 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.629 ' CD1' ' HB2' ' A' ' 28' ' ' LYS . 23.1 m-85 -88.3 128.25 35.48 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.482 0.658 . . . . 73.24 111.08 -172.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.821 ' HB2' ' HE2' ' A' ' 10' ' ' TYR . 16.4 p-10 -112.87 94.62 4.99 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.923 -1.035 . . . . 74.44 111.216 -176.367 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.526 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 21.5 t -103.57 111.14 32.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.455 -0.572 . . . . 70.13 109.455 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.821 ' HE2' ' HB2' ' A' ' 8' ' ' ASP . 7.4 p90 -154.35 142.21 20.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.959 0.409 . . . . 72.45 111.475 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.704 HG22 ' HA ' ' A' ' 24' ' ' TYR . 15.4 p -142.32 172.21 13.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.469 -0.787 . . . . 71.43 109.535 175.498 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -90.69 147.39 23.3 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.968 -0.382 . . . . 74.35 109.968 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -141.08 35.03 1.88 Allowed Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.973 -0.632 . . . . 54.24 111.744 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 t -103.02 122.5 44.76 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.944 -0.391 . . . . 72.53 109.944 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.519 ' HB3' ' HB3' ' A' ' 20' ' ' TYR . 6.3 p90 -68.21 106.06 2.31 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.431 0.634 . . . . 73.41 109.724 176.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.558 HG12 ' HE3' ' A' ' 132' ' ' LYS . 7.6 p -100.16 129.01 51.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.572 -0.74 . . . . 74.53 110.959 -173.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.405 ' OD1' HG23 ' A' ' 16' ' ' VAL . 22.3 m120 63.37 26.99 15.19 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.126 -0.943 . . . . 73.14 110.626 -176.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.29 -22.03 11.3 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.758 -0.655 . . . . 71.12 112.815 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.579 ' HG2' ' HG ' ' A' ' 135' ' ' LEU . 2.0 mp0 -81.63 140.24 34.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.999 0.428 . . . . 72.13 110.85 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.519 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 42.4 p90 -139.69 153.36 47.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.021 -0.536 . . . . 74.04 109.989 177.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.67 ' HB2' HG11 ' A' ' 39' ' ' VAL . . . -155.49 169.98 23.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.107 -0.497 . . . . 55.33 109.865 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.3 p-90 -97.22 129.18 44.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.908 -0.775 . . . . 74.44 108.908 174.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.05 136.95 6.03 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.161 -0.472 . . . . 74.01 110.335 -174.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.704 ' HA ' HG22 ' A' ' 11' ' ' THR . 47.7 p90 -166.86 155.75 10.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.276 0.56 . . . . 75.44 110.915 178.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.484 ' H ' HG22 ' A' ' 11' ' ' THR . . . -142.64 126.6 17.27 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.379 -0.828 . . . . 63.32 109.14 177.203 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -84.3 96.45 9.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.55 0.69 . . . . 75.01 109.858 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 8' ' ' ASP . 1.9 p -96.29 145.75 8.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 114.528 -1.214 . . . . 75.54 109.446 176.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.713 ' HZ1' ' HB3' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -163.74 137.45 5.62 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.355 -0.609 . . . . 72.22 109.355 176.658 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.413 ' HB2' ' HB3' ' A' ' 3' ' ' ASP . 9.1 t70 66.2 11.81 8.12 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.657 0.742 . . . . 74.12 109.945 178.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.75 -4.22 63.37 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.584 -0.734 . . . . 65.53 112.5 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 27' ' ' VAL . 12.2 mptt -106.67 150.98 25.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.016 0.436 . . . . 72.13 111.172 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.6 t -102.46 111.98 34.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.694 -0.685 . . . . 73.34 109.252 174.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -94.59 -15.76 23.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.527 -0.306 . . . . 65.24 111.25 -173.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.52 ' CE2' ' HG3' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -160.2 144.04 14.11 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.917 -0.771 . . . . 75.3 108.917 176.82 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -155.34 127.09 7.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.887 0.375 . . . . 60.24 111.612 -172.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -154.66 135.48 13.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.01 -0.541 . . . . 71.11 109.57 174.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -155.53 121.16 4.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.457 -0.338 . . . . 71.21 110.297 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -166.68 164.51 16.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 73.13 110.748 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.67 HG11 ' HB2' ' A' ' 21' ' ' ALA . 30.9 m -89.23 146.15 6.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.036 0.446 . . . . 63.34 111.321 -178.217 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.98 111.79 0.32 Allowed Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.834 -0.698 . . . . 64.42 112.983 176.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -92.18 174.38 7.34 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 107.951 -1.129 . . . . 62.44 107.951 171.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -143.54 144.61 28.28 Favored Pre-proline 0 C--N 1.31 -1.127 0 CA-C-N 116.647 -0.252 . . . . 71.21 110.536 -176.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -66.02 -16.15 51.35 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.91 2.407 . . . . 73.3 111.438 174.46 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.35 -7.46 37.54 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.51 -0.768 . . . . 73.44 111.083 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.91 -37.26 78.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 74.34 110.532 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.47 -27.02 51.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.887 -0.597 . . . . 72.01 110.704 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.3 m -65.33 -46.29 80.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 75.33 110.688 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 49.6 ttm -96.64 -82.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 63.32 110.34 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.722 ' HB2' ' HB1' ' A' ' 52' ' ' ALA . 11.6 ptt180 -167.66 -51.16 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.678 -0.237 . . . . 71.25 110.703 178.401 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.517 ' N ' ' HG3' ' A' ' 49' ' ' ARG . 0.6 OUTLIER 50.78 -87.42 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.97 0.908 . . . . 71.21 112.212 -176.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.609 ' O ' HG12 ' A' ' 55' ' ' ILE . 29.7 t -65.88 -38.32 81.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.559 -0.292 . . . . 74.42 110.598 -176.385 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.722 ' HB1' ' HB2' ' A' ' 49' ' ' ARG . . . -55.7 -35.0 65.59 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.098 -0.501 . . . . 73.51 112.215 -176.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.48 -48.11 19.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 60.33 111.927 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.52 ' HG3' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -67.62 -26.56 66.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.689 0.28 . . . . 64.01 111.127 -178.38 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.609 HG12 ' O ' ' A' ' 51' ' ' VAL . 17.0 mm -55.3 -30.11 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 116.019 -0.537 . . . . 54.55 111.742 176.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.08 -45.56 43.3 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.071 0.397 . . . . 51.21 112.071 -177.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.54 -33.69 74.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.864 0.364 . . . . 64.24 111.559 -177.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.607 ' O ' HG22 ' A' ' 62' ' ' VAL . . . -77.38 -40.09 45.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.154 -0.475 . . . . 72.23 110.571 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.486 HD22 ' HE3' ' A' ' 63' ' ' LYS . 10.2 tt -59.81 -50.99 71.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 74.35 111.061 -176.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.405 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 44.1 m-85 -68.76 -28.35 66.72 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.96 -0.296 . . . . 73.4 110.536 179.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.563 ' HB2' ' HH ' ' A' ' 110' ' ' TYR . . . -65.72 -37.11 85.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.627 -0.26 . . . . 52.31 110.509 177.193 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.607 HG22 ' O ' ' A' ' 58' ' ' ALA . 39.8 t -60.93 -45.04 99.08 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 CA-C-O 121.47 0.652 . . . . 75.24 109.516 174.622 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.486 ' HE3' HD22 ' A' ' 59' ' ' LEU . 77.6 mttt -66.95 -43.93 81.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.088 -0.96 . . . . 75.2 111.341 -178.364 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.405 ' HG3' ' O ' ' A' ' 60' ' ' TYR . 61.3 mtpt -62.17 -41.04 97.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 75.11 111.064 178.485 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.568 ' HB1' ' CD2' ' A' ' 7' ' ' TYR . . . -71.25 -32.22 68.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.624 0.249 . . . . 74.52 110.701 178.256 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.2 t -62.56 -41.05 98.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 70.2 110.066 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.85 -31.06 59.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.022 -0.536 . . . . 63.43 110.823 177.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.6 tp -74.36 -25.53 59.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 75.44 110.34 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.67 38.81 11.36 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.973 -0.558 . . . . 73.24 112.824 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.4 m -134.72 176.43 8.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.821 0.343 . . . . 74.23 111.089 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -117.19 164.47 14.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.943 -0.571 . . . . 73.13 110.257 176.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.554 HG12 ' CD1' ' A' ' 110' ' ' TYR . 1.5 pp -122.95 158.71 27.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.416 -0.587 . . . . 70.04 109.416 173.478 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -125.98 111.16 14.42 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.936 -0.394 . . . . 73.43 109.936 176.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.526 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -101.47 116.34 44.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.924 0.869 . . . . 74.34 108.997 175.896 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.523 ' HA ' ' O ' ' A' ' 113' ' ' GLU . 6.2 mp -91.72 120.07 32.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.469 -0.787 . . . . 71.33 111.435 -173.035 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -178.16 -167.06 0.12 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.024 -0.535 . . . . 65.32 110.15 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -64.89 175.79 1.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.335 -0.848 . . . . 71.12 112.531 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.487 ' HH ' ' HA ' ' A' ' 113' ' ' GLU . 51.9 m-85 -118.37 15.89 13.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.291 -0.868 . . . . 74.03 110.803 174.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.14 -47.08 6.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.913 0.387 . . . . 73.02 111.068 -176.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -76.5 -9.03 86.17 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.062 -0.589 . . . . 52.45 113.247 -175.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.9 pp -70.98 -20.83 21.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.835 0.35 . . . . 71.31 111.221 -177.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.02 -23.68 62.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 75.35 111.185 -178.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -75.14 -15.34 60.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.041 -0.527 . . . . 74.22 110.671 -176.265 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -73.11 -51.79 16.66 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.102 -0.703 . . . . 72.2 109.102 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.685 ' HB2' ' HA ' ' A' ' 100' ' ' ALA . . . -62.28 -40.55 96.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.425 -0.807 . . . . 51.1 110.859 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.3 p -87.81 20.78 2.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.084 -0.507 . . . . 75.32 111.144 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.78 -7.68 70.52 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 121.258 -0.496 . . . . 36.96 112.67 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.11 -59.27 1.83 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.315 -0.994 . . . . 74.12 108.315 175.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 24.9 t90 -154.63 161.52 41.55 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.003 -1.11 . . . . 75.23 108.003 177.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -70.82 128.81 37.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.181 -0.304 . . . . 74.24 110.181 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.765 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -62.21 98.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.16 0.505 . . . . 72.52 111.166 -177.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.606 ' HE2' ' HA ' ' A' ' 92' ' ' LYS . 0.2 OUTLIER -124.26 -37.62 2.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.768 -0.651 . . . . 65.3 111.489 -175.764 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -134.13 104.76 6.35 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.914 -0.314 . . . . 72.42 111.612 -173.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 44.65 -84.03 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.975 1.472 . . . . 74.43 114.975 170.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -53.59 -37.62 63.15 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.069 0.396 . . . . 74.41 112.069 -171.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.765 ' HB ' ' HA ' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -69.26 -40.79 77.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.941 0.4 . . . . 60.35 110.756 178.951 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -65.23 -43.36 91.68 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.766 -0.652 . . . . 74.2 110.428 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.83 -49.02 76.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.575 -0.739 . . . . 74.24 110.495 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -62.64 -34.98 78.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.369 . . . . 74.33 111.601 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.685 ' HA ' ' HB2' ' A' ' 85' ' ' ALA . . . -57.86 -48.67 79.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.095 0.474 . . . . 62.23 110.692 177.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.415 ' HZ3' ' HB2' ' A' ' 101' ' ' LYS . 9.6 mtmp? -78.0 -25.7 48.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.014 -0.539 . . . . 73.42 110.485 -179.682 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 60.2 tp -65.19 -40.39 94.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 73.02 110.338 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.463 ' O ' ' HG2' ' A' ' 107' ' ' ARG . 96.6 mmm -64.82 -42.93 94.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.511 -0.313 . . . . 44.13 110.293 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -65.25 -37.59 87.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 74.0 110.464 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.96 -38.3 67.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.547 -0.751 . . . . 75.31 111.025 178.607 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -80.93 -18.44 47.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.19 -0.459 . . . . 72.23 111.602 -177.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.463 ' HG2' ' O ' ' A' ' 103' ' ' MET . 22.2 mmm180 -75.91 115.36 15.54 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.235 -0.586 . . . . 52.4 110.239 -177.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -144.39 -43.48 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.463 -0.789 . . . . 54.22 111.174 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.607 ' H ' HD12 ' A' ' 109' ' ' ILE . 4.6 mp -64.84 -39.61 86.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.482 0.658 . . . . 73.52 109.313 173.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.563 ' HH ' ' HB2' ' A' ' 61' ' ' ALA . 2.5 m-85 -111.09 143.92 41.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.531 -0.759 . . . . 74.54 109.456 174.247 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.502 ' O ' HG23 ' A' ' 74' ' ' ILE . 77.4 p -156.23 162.78 40.12 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.444 -0.576 . . . . 63.45 109.444 176.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.416 ' HD1' ' CE1' ' A' ' 78' ' ' TYR . 0.9 OUTLIER -116.63 134.6 54.63 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.838 0.351 . . . . 75.12 110.23 179.76 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.523 ' O ' ' HA ' ' A' ' 75' ' ' LEU . 2.4 mp0 -131.74 136.89 47.95 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.94 -0.573 . . . . 62.04 110.66 -175.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -106.36 89.59 3.09 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.209 0.528 . . . . 74.35 109.715 173.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.7 p -135.3 137.12 50.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.66 -0.7 . . . . 74.24 109.488 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -122.95 92.67 3.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.079 0.466 . . . . 70.31 109.836 -179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -131.47 -80.07 0.52 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.875 -0.602 . . . . 72.54 109.437 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -101.67 32.54 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.822 -0.807 . . . . 72.41 108.822 172.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.8 m -84.02 29.36 0.56 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.879 -1.055 . . . . 72.44 111.773 -172.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -132.55 70.32 0.52 Allowed Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.089 -0.804 . . . . 73.44 111.089 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -89.81 -176.42 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.793 0.33 . . . . 71.3 110.828 -178.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.32 -34.44 75.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 64.11 111.135 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -74.23 -26.62 60.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.072 -0.513 . . . . 71.44 111.286 -177.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -69.07 -44.42 72.6 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.416 -0.587 . . . . 73.11 109.416 174.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.14 -34.59 76.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.208 -0.906 . . . . 73.12 110.838 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.717 ' HA ' ' HE2' ' A' ' 129' ' ' MET . 65.3 t80 -58.78 -41.25 86.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.765 -0.652 . . . . 72.21 110.953 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 54.0 t -69.97 -38.74 76.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 74.31 111.063 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -58.2 -49.14 78.11 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.927 0.394 . . . . 73.23 111.13 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.717 ' HE2' ' HA ' ' A' ' 126' ' ' TYR . 54.4 mtm -58.88 -45.69 89.6 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.917 -0.583 . . . . 62.21 111.15 -178.503 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -66.42 -40.15 89.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.898 -0.592 . . . . 73.23 110.146 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.63 -51.35 70.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 71.34 111.07 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.558 ' HE3' HG12 ' A' ' 16' ' ' VAL . 32.4 mmtp -63.06 -38.77 92.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 70.41 111.174 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.6 m -65.48 -30.67 71.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.145 -0.48 . . . . 60.24 110.747 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.523 ' HB2' HG13 ' A' ' 39' ' ' VAL . . . -74.36 -21.26 59.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 74.4 111.429 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.579 ' HG ' ' HG2' ' A' ' 19' ' ' GLN . 1.3 mm? -85.37 -8.29 58.52 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.554 -0.536 . . . . 73.31 109.554 174.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.85 16.25 63.78 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.724 -0.75 . . . . 61.13 111.81 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 71.9 mt -87.89 113.44 25.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.777 0.322 . . . . 65.42 110.419 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.12 172.77 12.63 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.072 -0.513 . . . . 75.3 109.748 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . 0.843 ' HB3' ' HB3' ' A' ' 142' ' ' HIS . 13.9 m-20 55.72 73.9 0.41 Allowed 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 123.895 0.747 . . . . 72.45 111.565 178.324 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.5 mp -90.78 -37.79 13.42 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.649 -0.705 . . . . 62.23 109.132 176.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.88 27.88 3.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.045 -0.979 . . . . 61.34 109.888 178.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.843 ' HB3' ' HB3' ' A' ' 139' ' ' ASP . 21.1 p-80 -72.16 129.96 39.71 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.961 0.41 . . . . 63.32 110.631 -177.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -108.06 93.23 4.42 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.225 -0.443 . . . . 72.03 109.982 176.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -127.28 129.19 47.26 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.452 -0.573 . . . . 74.4 109.452 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -86.42 149.84 24.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.249 -0.432 . . . . 73.13 111.644 -171.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 72.55 -67.24 0.27 Allowed 'General case' 0 N--CA 1.468 0.473 0 O-C-N 124.046 0.841 . . . . 75.31 111.34 178.039 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 19.7 t60 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.745 -0.645 . . . . 64.1 109.32 -178.748 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.2 ttp . . . . . 0 N--CA 1.48 1.041 0 CA-C-O 121.037 0.446 . . . . 63.12 110.179 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -139.09 99.02 3.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.985 0.421 . . . . 73.31 110.854 -178.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -91.69 89.79 7.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.675 0.75 . . . . 74.14 109.638 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -113.8 3.14 15.38 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.342 -0.844 . . . . 74.23 111.109 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.3 t -86.96 164.09 16.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.166 -0.47 . . . . 75.02 110.955 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.509 ' HA ' HG22 ' A' ' 72' ' ' ILE . 1.4 mp0 -59.36 120.71 9.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.74 -0.664 . . . . 74.52 110.182 178.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -72.28 142.36 48.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.248 -0.433 . . . . 55.01 110.446 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -92.91 95.24 9.38 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.972 -0.751 . . . . 74.33 108.972 174.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.426 ' O ' ' HE1' ' A' ' 76' ' ' HIS . 50.3 t -94.48 127.0 46.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.602 -0.727 . . . . 63.01 110.4 -174.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.571 ' O ' HG23 ' A' ' 11' ' ' THR . 66.0 m-85 -88.49 175.85 7.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.335 -0.393 . . . . 73.52 111.095 -178.372 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.899 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 2.7 t 58.39 4.44 0.34 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.309 1.444 . . . . 71.54 113.592 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.45 ' CB ' ' HG ' ' A' ' 111' ' ' SER . 24.9 p-10 -74.7 80.74 2.05 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.677 0.751 . . . . 75.4 111.412 -178.287 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.2 -102.26 0.65 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.635 -0.793 . . . . 63.21 112.708 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . 0.42 ' HA ' ' CG ' ' A' ' 114' ' ' LYS . 11.8 p -165.05 -76.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.849 0.356 . . . . 75.11 110.605 -177.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -145.73 167.87 22.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.049 -0.523 . . . . 73.42 109.895 177.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.506 HG21 ' ND2' ' A' ' 17' ' ' ASN . 12.1 p -146.82 137.46 17.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.667 0.27 . . . . 61.4 110.502 178.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.506 ' ND2' HG21 ' A' ' 16' ' ' VAL . 52.1 m-80 60.74 26.68 16.46 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.033 -0.53 . . . . 74.23 110.802 -177.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.36 -3.93 65.33 Favored Glycine 0 CA--C 1.521 0.469 0 CA-C-N 116.083 -0.508 . . . . 71.1 112.445 -177.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.57 ' HB3' HD23 ' A' ' 135' ' ' LEU . 16.5 mm-40 -101.75 137.13 40.47 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.169 -0.308 . . . . 72.12 110.169 -178.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -120.03 146.6 45.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.976 0.417 . . . . 74.22 110.626 178.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.566 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -155.05 167.17 31.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.682 -0.69 . . . . 65.02 109.529 -178.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.437 ' CE2' ' HB3' ' A' ' 38' ' ' ASP . 35.2 p-90 -105.4 130.08 53.57 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.565 -0.531 . . . . 74.34 109.565 178.448 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.15 167.43 18.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.072 -0.513 . . . . 73.03 110.214 -176.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.495 ' HA ' ' CG2' ' A' ' 11' ' ' THR . 49.4 p90 -167.16 157.5 11.32 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 123.396 0.435 . . . . 73.42 110.93 177.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.57 102.23 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.427 -0.806 . . . . 45.2 109.906 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -90.42 109.96 21.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.197 0.522 . . . . 74.22 110.309 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.452 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 1.5 p -129.78 133.96 63.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.373 -0.83 . . . . 71.24 111.744 -174.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -145.61 139.94 27.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.483 -0.781 . . . . 75.04 109.097 173.086 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.5 t70 64.83 15.17 9.7 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.544 0.688 . . . . 74.43 110.494 -178.088 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.93 -1.55 83.37 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.814 -0.708 . . . . 73.1 112.322 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 27' ' ' VAL . 13.4 mptt -96.72 135.55 38.51 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 121.393 0.616 . . . . 72.24 110.222 178.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.24 124.04 65.6 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 CA-C-N 114.964 -1.016 . . . . 63.32 110.094 -178.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.457 ' CD2' ' HD1' ' A' ' 34' ' ' TYR . 85.1 t60 -72.93 -49.34 30.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.931 -0.577 . . . . 74.45 110.495 -177.092 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.457 ' HD1' ' CD2' ' A' ' 33' ' ' HIS . 8.0 m-85 -143.41 140.45 30.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.955 0.407 . . . . 75.44 110.555 176.173 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.6 119.06 21.92 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.385 -0.825 . . . . 75.42 109.227 173.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -167.51 163.39 14.77 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.24 -0.652 . . . . 62.04 109.24 -177.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -159.3 121.61 3.48 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.846 -0.427 . . . . 73.14 109.846 -178.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.494 ' O ' ' HB3' ' A' ' 21' ' ' ALA . 31.3 t70 -132.6 153.01 51.45 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.867 -0.333 . . . . 71.11 110.287 -177.188 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.522 HG11 HD22 ' A' ' 135' ' ' LEU . 27.1 m -84.23 174.97 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.05 0.452 . . . . 75.22 111.856 -174.674 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.56 87.16 0.52 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.362 -0.695 . . . . 62.12 111.362 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -92.94 -168.05 1.86 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.062 0.458 . . . . 61.42 110.864 -177.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -57.44 150.54 43.72 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.012 -0.994 . . . . 65.41 111.175 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.68 -14.7 18.12 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.363 2.709 . . . . 70.41 112.906 -178.268 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.47 -45.72 80.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.398 -0.364 . . . . 70.12 110.812 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.25 -30.09 61.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.032 0.444 . . . . 71.11 110.662 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.13 -22.63 61.29 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.875 -0.602 . . . . 37.64 110.825 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.7 m -96.84 -49.3 5.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.619 -0.719 . . . . 64.01 110.418 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 66.1 mtm -88.98 67.79 8.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.565 0.698 . . . . 73.32 109.598 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.766 ' HB3' ' HB1' ' A' ' 52' ' ' ALA . 84.5 mtt180 -75.7 89.2 2.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.406 -0.815 . . . . 72.12 110.754 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -71.3 -65.31 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.69 0.281 . . . . 74.55 110.436 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.41 -48.6 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 72.12 110.674 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.766 ' HB1' ' HB3' ' A' ' 49' ' ' ARG . . . -68.78 -13.91 62.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.649 -0.705 . . . . 64.31 111.551 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.41 -38.13 93.01 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 116.137 -0.483 . . . . 74.35 113.247 -177.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.42 -30.58 71.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.128 0.464 . . . . 72.2 110.101 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.4 mm -70.17 -36.65 68.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 74.51 109.804 177.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.05 -29.27 65.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.649 -0.705 . . . . 62.15 110.681 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.48 -37.78 42.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.126 -0.488 . . . . 74.45 110.218 176.176 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.0 -21.12 65.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.71 -0.677 . . . . 71.14 111.269 178.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.4 tp -50.68 -34.22 25.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.081 -0.509 . . . . 64.54 111.609 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -60.85 -48.88 79.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.486 -0.325 . . . . 60.35 110.606 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -30.61 70.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.019 0.438 . . . . 61.23 110.472 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.497 HG11 ' HD1' ' A' ' 110' ' ' TYR . 82.0 t -65.02 -45.92 93.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.846 -0.616 . . . . 75.11 110.442 176.062 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -68.21 -32.82 73.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.547 0.689 . . . . 74.2 109.723 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -61.57 -33.03 73.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.001 -1.0 . . . . 65.12 110.788 174.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.418 ' HB3' HG22 ' A' ' 70' ' ' VAL . . . -64.72 -29.88 70.88 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.327 -0.397 . . . . 73.13 111.391 -178.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.7 m -60.01 -37.35 79.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.112 0.482 . . . . 72.24 110.049 175.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -82.98 -33.17 26.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.657 -0.702 . . . . 74.4 110.944 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.1 tp -68.42 -26.6 65.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 74.43 110.848 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.0 26.78 9.99 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.678 -0.773 . . . . 63.43 113.05 176.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.418 HG22 ' HB3' ' A' ' 65' ' ' ALA . 19.3 m -131.01 135.07 60.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.009 0.433 . . . . 70.45 110.766 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.84 ' HA ' HG22 ' A' ' 109' ' ' ILE . 14.4 ttpt -132.83 144.33 50.14 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.95 -0.568 . . . . 74.41 109.609 178.297 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.609 HG13 ' O ' ' A' ' 109' ' ' ILE . 2.1 pp -106.48 154.07 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 108.404 -0.961 . . . . 73.2 108.404 174.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -83.52 101.87 11.73 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.032 0.444 . . . . 74.12 111.06 -171.21 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.676 HD13 ' HE1' ' A' ' 112' ' ' PHE . 25.3 pt -67.09 131.91 32.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.682 -0.69 . . . . 62.13 109.645 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 mp 59.51 21.67 10.17 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.144 -0.48 . . . . 73.53 110.256 -176.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.426 ' HE1' ' O ' ' A' ' 9' ' ' VAL . 16.8 m80 56.75 46.55 19.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.475 -0.784 . . . . 75.14 111.627 -176.23 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t70 70.65 90.15 0.1 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.216 -0.902 . . . . 61.52 110.42 173.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -131.41 161.92 31.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.236 -0.438 . . . . 74.43 110.895 -173.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.13 -11.84 61.15 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.673 -0.694 . . . . 60.45 112.387 -177.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.733 ' HA2' ' HD2' ' A' ' 83' ' ' PHE . . . -51.96 -21.93 8.49 Favored Glycine 0 CA--C 1.522 0.494 0 CA-C-N 116.194 -0.457 . . . . 61.1 114.074 -176.411 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.8 pp -58.1 -25.21 25.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.904 0.352 . . . . 75.34 111.852 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.01 -25.77 53.04 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.885 0.374 . . . . 75.24 111.238 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.733 ' HD2' ' HA2' ' A' ' 80' ' ' GLY . 98.3 m-85 -77.91 -42.47 33.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.328 -0.396 . . . . 73.23 110.756 -177.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -73.98 -24.41 59.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.73 0.3 . . . . 75.13 110.866 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.505 ' HB1' ' HB3' ' A' ' 100' ' ' ALA . . . -69.79 -55.23 10.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 72.21 110.604 176.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.2 t -138.2 -48.44 0.54 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.138 -0.483 . . . . 75.02 110.79 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.717 ' HA2' ' HA ' ' A' ' 83' ' ' PHE . . . 86.05 -61.58 4.47 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.126 -0.559 . . . . 61.35 112.998 175.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.63 -59.78 3.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.148 0.499 . . . . 64.44 111.034 -172.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -151.68 159.66 43.92 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.784 -0.644 . . . . 73.34 109.299 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.84 164.25 6.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.09 0.471 . . . . 72.22 111.05 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.461 ' HB1' ' HG2' ' A' ' 97' ' ' GLN . . . -70.34 113.67 7.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.991 -0.549 . . . . 71.34 110.574 -177.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -78.67 67.16 4.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.819 -0.628 . . . . 73.53 111.49 -175.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 70.06 -24.39 0.16 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.685 1.365 . . . . 74.24 114.685 169.002 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.857 ' HG2' ' H ' ' A' ' 95' ' ' PHE . 15.1 tt0 -77.76 -174.04 3.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 118.058 0.39 . . . . 75.33 111.053 -176.366 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . 0.857 ' H ' ' HG2' ' A' ' 94' ' ' GLU . 61.5 t80 -52.88 -29.23 27.07 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.746 0.818 . . . . 64.2 111.622 -177.724 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.4 m -48.72 -32.14 7.98 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.108 -0.496 . . . . 72.35 111.259 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.461 ' HG2' ' HB1' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -57.23 -50.74 71.93 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.384 -0.371 . . . . 73.02 110.609 176.475 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.03 -28.78 67.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.24 -0.436 . . . . 42.21 111.037 -177.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -75.09 -43.09 54.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.908 -0.587 . . . . 75.3 111.293 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . 0.505 ' HB3' ' HB1' ' A' ' 85' ' ' ALA . . . -92.28 -15.37 27.52 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.422 0.527 . . . . 63.31 112.422 -173.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -61.02 95.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.087 0.47 . . . . 75.34 111.661 -175.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 88.1 mt 61.37 25.49 15.44 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.196 -0.911 . . . . 73.31 112.229 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.467 ' HG2' ' HA ' ' A' ' 100' ' ' ALA . 4.5 ppp? -65.26 -36.15 83.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.615 0.245 . . . . 73.25 111.241 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.444 ' HA ' ' HG3' ' A' ' 107' ' ' ARG . 28.6 t-20 -70.73 -33.18 70.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.008 0.432 . . . . 62.41 110.531 -179.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -18.69 63.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.582 -0.735 . . . . 75.12 111.128 178.272 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -92.1 -39.15 11.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.403 -0.362 . . . . 62.41 110.618 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.444 ' HG3' ' HA ' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -79.39 154.48 28.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.451 . . . . 74.23 110.621 178.146 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 46.8 77.52 0.1 Allowed Glycine 0 C--N 1.334 0.453 0 O-C-N 123.723 0.639 . . . . 72.44 113.387 174.615 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.84 HG22 ' HA ' ' A' ' 71' ' ' LYS . 32.7 mm -60.41 -25.42 34.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 111.803 0.297 . . . . 75.55 111.803 -177.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.497 ' HD1' HG11 ' A' ' 62' ' ' VAL . 1.7 p90 -92.53 159.26 15.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.88 0.371 . . . . 75.45 110.902 -175.608 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.621 ' HA ' HG22 ' A' ' 74' ' ' ILE . 8.5 t -74.41 174.97 8.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.978 -0.555 . . . . 74.21 110.416 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.676 ' HE1' HD13 ' A' ' 74' ' ' ILE . 97.0 m-85 -98.53 168.47 10.16 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.319 -0.252 . . . . 64.32 110.319 -175.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . 0.526 ' O ' ' HD2' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -94.68 107.65 19.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.088 0.946 . . . . 72.32 109.764 179.169 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.526 ' HD2' ' O ' ' A' ' 113' ' ' GLU . 13.8 mptt -151.1 152.82 33.95 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.571 -1.195 . . . . 74.44 109.869 -165.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.0 p -99.17 148.71 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.727 0.298 . . . . 63.53 110.603 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.899 ' HG2' ' HA ' ' A' ' 11' ' ' THR . 14.2 ptpt -158.39 172.52 18.19 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 110.265 -0.272 . . . . 65.3 110.265 176.521 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.479 ' O ' HG22 ' A' ' 16' ' ' VAL . . . 75.67 156.99 0.18 Allowed 'General case' 0 N--CA 1.466 0.346 0 O-C-N 124.427 1.08 . . . . 75.31 112.643 170.148 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -126.44 1.05 6.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.202 -0.908 . . . . 63.22 110.121 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.9 t -149.9 -34.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.97 -0.559 . . . . 74.12 109.811 175.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.81 163.67 2.39 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-O 121.468 0.482 . . . . 50.23 113.619 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -76.5 176.15 8.56 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.98 -1.118 . . . . 64.51 107.98 169.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.44 ' O ' ' HB3' ' A' ' 125' ' ' ASP . 35.3 tt0 -51.01 -54.15 27.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.612 0.597 . . . . 74.11 112.612 -174.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -76.47 -26.58 55.51 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.613 -0.267 . . . . 75.23 111.596 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -72.1 -27.91 62.95 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.694 -0.484 . . . . 71.33 109.694 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.553 ' HA ' ' HB3' ' A' ' 128' ' ' ASP . 12.9 t70 -53.18 -29.12 29.99 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.351 -0.84 . . . . 72.23 111.366 176.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -58.4 -52.29 66.23 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.368 -0.378 . . . . 73.23 111.043 175.618 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 92.6 t -76.86 -36.71 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 75.34 110.379 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.553 ' HB3' ' HA ' ' A' ' 125' ' ' ASP . 4.2 t70 -56.16 -55.24 35.55 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.049 -0.523 . . . . 61.24 111.12 176.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 43.8 ttp -60.94 -39.01 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 75.03 110.904 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -69.73 -42.87 73.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.357 -0.383 . . . . 72.15 110.952 178.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.68 96.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.336 -0.393 . . . . 73.51 110.536 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -56.95 -42.77 80.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.162 -0.472 . . . . 75.52 111.077 176.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.7 m -65.76 -42.08 91.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.312 -0.404 . . . . 75.3 110.859 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.49 -39.34 64.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.355 -0.384 . . . . 65.34 111.611 -178.427 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.57 HD23 ' HB3' ' A' ' 19' ' ' GLN . 98.5 mt -80.97 -17.67 49.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.357 -0.383 . . . . 70.42 110.654 -176.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.18 24.88 35.6 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.099 -1.048 . . . . 65.04 112.458 177.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.1 mm -60.49 112.47 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.334 0.588 . . . . 62.05 110.913 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.73 ' H ' ' HD3' ' A' ' 138' ' ' ARG . 0.1 OUTLIER -89.54 169.03 11.7 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.306 -0.861 . . . . 75.32 110.317 178.744 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -55.55 131.7 46.85 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.629 0.581 . . . . 73.03 111.418 -176.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 89.7 mt -71.9 -24.14 61.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.259 0.552 . . . . 75.14 110.338 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -93.59 22.77 5.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.929 -0.578 . . . . 73.24 111.285 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -54.86 128.78 34.71 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.516 -0.311 . . . . 74.11 110.192 178.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -48.07 128.33 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.155 0.798 . . . . 65.25 113.155 -172.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -109.93 128.88 55.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.545 -1.207 . . . . 72.14 108.499 176.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -68.24 102.68 1.41 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.132 0.491 . . . . 71.14 109.928 -176.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -91.06 121.04 32.53 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.776 -0.647 . . . . 62.42 109.414 -176.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 . . . . . 0 C--O 1.249 1.063 0 O-C-N 123.961 0.788 . . . . 72.41 110.338 179.423 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.496 -0.557 . . . . 53.11 109.496 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -97.27 82.58 3.17 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.287 -1.005 . . . . 73.54 108.287 170.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -124.37 20.69 8.79 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.311 -0.858 . . . . 65.53 111.52 -170.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -82.67 50.4 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.14 -0.482 . . . . 74.11 110.476 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 t -139.79 95.29 2.88 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.876 -0.33 . . . . 71.24 111.79 -178.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 43.29 91.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.19 -0.913 . . . . 74.02 112.925 173.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.478 ' O ' ' HB ' ' A' ' 72' ' ' ILE . 74.0 m-85 -72.64 155.55 39.89 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.466 -0.788 . . . . 65.22 110.899 -175.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -109.68 124.99 52.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.15 0.5 . . . . 72.31 110.01 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.0 t -129.27 122.85 56.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.881 -0.6 . . . . 75.21 109.738 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.484 ' HB3' ' OD1' ' A' ' 124' ' ' ASN . 58.7 m-85 -101.97 137.89 39.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.122 -0.49 . . . . 74.15 110.287 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -168.27 148.32 4.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.018 -0.537 . . . . 73.4 110.282 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -132.93 144.06 49.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.349 -0.387 . . . . 73.45 110.216 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.73 73.21 2.7 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 120.664 -0.779 . . . . 71.11 111.315 177.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.0 m -78.07 103.09 7.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.966 0.412 . . . . 60.14 110.799 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -144.95 144.7 31.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.855 -0.612 . . . . 73.43 109.667 175.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.0 p -169.38 139.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.315 -0.402 . . . . 61.13 110.621 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 63.35 28.33 15.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.903 -0.589 . . . . 71.45 111.333 171.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.21 -14.96 62.25 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.64 -0.79 . . . . 70.43 112.163 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.9 mm-40 -89.08 140.29 29.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.825 0.345 . . . . 74.31 110.66 178.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.615 ' HE1' ' H ' ' A' ' 41' ' ' LYS . 25.0 p90 -147.6 140.32 24.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.891 -0.595 . . . . 74.33 110.745 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.48 154.43 46.1 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.989 -0.551 . . . . 64.21 110.051 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.523 ' HB3' ' HE2' ' A' ' 41' ' ' LYS . 32.7 p-90 -114.51 130.41 56.74 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.997 0.427 . . . . 74.05 110.086 177.073 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.745 ' HB1' HG23 ' A' ' 127' ' ' VAL . . . -145.64 136.15 24.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.736 -0.665 . . . . 61.5 110.147 -177.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -142.57 138.48 30.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.385 -0.37 . . . . 73.41 110.47 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.439 ' HB2' ' HB2' ' A' ' 10' ' ' TYR . . . -119.68 104.91 10.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.883 -0.599 . . . . 73.54 110.038 175.453 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.474 ' HD2' ' HB2' ' A' ' 34' ' ' TYR . 97.3 m-85 -90.79 98.91 12.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.968 -0.56 . . . . 61.14 110.163 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.505 ' HA ' ' HA ' ' A' ' 32' ' ' VAL . 3.0 p -106.71 124.59 62.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.427 0.632 . . . . 65.31 111.066 -175.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -133.21 131.13 39.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.836 -0.62 . . . . 74.42 109.838 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 68.19 10.31 7.75 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.002 -0.545 . . . . 71.11 110.752 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.36 1.98 60.56 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.819 -0.705 . . . . 74.43 111.638 -176.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -113.77 126.97 55.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.36 . . . . 75.14 110.358 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.505 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 5.9 p -85.63 106.95 15.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.588 0.708 . . . . 71.53 110.238 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -78.21 -43.47 28.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.906 -0.588 . . . . 72.31 110.271 -174.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.474 ' HB2' ' HD2' ' A' ' 26' ' ' PHE . 94.3 m-85 -122.65 139.23 54.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.227 -0.442 . . . . 74.11 110.131 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -161.64 120.42 2.4 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.556 0.535 . . . . 72.32 109.732 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -165.84 157.15 13.82 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.995 -0.372 . . . . 75.33 109.995 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.491 ' HB3' ' HB3' ' A' ' 130' ' ' LYS . . . -143.47 108.47 4.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.478 -0.328 . . . . 70.25 110.558 179.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -116.04 148.07 40.58 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.547 -0.538 . . . . 71.41 109.547 -177.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.9 m -93.41 136.08 26.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.131 0.491 . . . . 72.32 111.207 -177.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.4 108.34 1.04 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.569 -0.824 . . . . 61.22 112.189 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.615 ' H ' ' HE1' ' A' ' 20' ' ' TYR . 86.7 mttt -92.14 96.47 10.34 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.794 -0.447 . . . . 74.31 109.794 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -134.38 144.75 52.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.2 -0.454 . . . . 74.41 111.029 -175.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.57 -11.48 31.92 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.917 2.412 . . . . 64.31 112.456 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.2 -22.6 63.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.055 -0.52 . . . . 72.12 111.209 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.16 -28.3 69.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.262 -0.426 . . . . 73.45 110.932 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.803 ' HB1' ' HB2' ' A' ' 52' ' ' ALA . . . -78.22 -30.04 48.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.308 -0.406 . . . . 74.41 110.631 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.1 m -79.99 -43.81 21.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.054 -0.521 . . . . 73.0 110.642 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.0 ttm -80.2 -67.54 0.76 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.524 . . . . 72.21 111.473 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -89.05 -14.86 35.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.595 -0.275 . . . . 72.02 111.286 -171.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.478 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 9.1 t-20 69.96 -1.46 2.36 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.241 0.617 . . . . 74.03 111.603 175.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 55' ' ' ILE . 58.8 t -56.83 -43.02 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.184 -0.462 . . . . 64.53 111.853 -175.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.803 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . . . -62.99 -21.93 66.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.631 0.253 . . . . 54.32 111.652 -176.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.34 -50.98 9.01 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.909 -0.662 . . . . 63.54 112.192 177.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.4 -33.99 69.97 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.972 0.36 . . . . 73.14 111.972 -175.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' ' 51' ' ' VAL . 40.5 pt -71.12 -29.42 36.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.737 0.303 . . . . 54.23 111.547 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.61 -24.4 8.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.775 -0.648 . . . . 54.32 112.324 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.02 -31.98 67.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.004 0.431 . . . . 73.41 111.197 177.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.56 -23.82 61.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 74.24 111.285 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 tt -63.0 -40.99 99.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.968 0.413 . . . . 72.51 110.023 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.4 -25.86 59.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.249 -0.432 . . . . 73.41 111.402 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.95 94.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.108 0.48 . . . . 51.05 109.721 173.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.1 t -69.75 -34.75 62.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.67 -0.695 . . . . 73.11 110.255 175.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -59.54 -44.53 93.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.814 -0.63 . . . . 71.43 110.168 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.505 ' HB2' ' HZ1' ' A' ' 64' ' ' LYS . 4.2 ttmp? -70.69 -28.24 64.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 63.13 110.989 -179.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.41 ' HB3' HG21 ' A' ' 70' ' ' VAL . . . -56.36 -35.32 67.53 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.298 0.481 . . . . 64.12 112.298 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.817 ' HB3' HD12 ' A' ' 109' ' ' ILE . 61.7 p -60.22 -38.2 82.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.16 0.505 . . . . 74.43 111.025 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -66.49 -35.67 80.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.492 -0.777 . . . . 73.33 110.561 -177.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.6 mp -84.16 -25.54 29.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.808 -0.633 . . . . 71.41 110.635 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.32 18.87 47.9 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.879 -0.677 . . . . 74.14 111.916 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.41 HG21 ' HB3' ' A' ' 65' ' ' ALA . 30.1 m -99.61 158.0 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.944 -0.391 . . . . 70.41 109.944 178.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -153.45 -179.7 8.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.565 -0.289 . . . . 74.33 110.279 -173.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.628 HG12 ' O ' ' A' ' 109' ' ' ILE . 32.5 pt -114.48 -176.34 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.879 -0.785 . . . . 63.43 108.879 171.323 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -132.74 119.53 20.46 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.134 -0.626 . . . . 75.44 111.195 -178.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 112' ' ' PHE . 5.8 tp -101.23 113.83 38.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.887 -0.597 . . . . 72.03 109.911 175.498 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.0 mm? 62.09 -81.53 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.637 -0.71 . . . . 63.5 112.376 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -137.21 -76.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.763 0.283 . . . . 75.4 111.763 -176.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -133.82 160.44 37.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.166 0.508 . . . . 65.04 112.131 -172.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -154.88 26.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.259 -0.882 . . . . 71.41 109.357 173.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.42 -13.7 60.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.173 -0.922 . . . . 74.33 112.133 -172.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -52.88 -46.87 60.16 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 121.134 -0.555 . . . . 61.51 112.94 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 34.8 pt -74.91 -20.13 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.963 0.411 . . . . 74.33 111.399 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.58 -23.6 39.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.414 -0.357 . . . . 74.23 111.152 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.535 ' CD2' ' HB2' ' A' ' 88' ' ' GLU . 12.0 t80 -66.27 -19.53 65.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.83 -0.623 . . . . 72.32 110.844 -177.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -64.59 -37.63 88.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.108 -0.496 . . . . 73.4 110.842 176.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.604 ' HB1' HH21 ' A' ' 107' ' ' ARG . . . -76.71 -29.31 56.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.993 -0.549 . . . . 74.44 111.61 -175.399 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.6 p -80.74 -35.46 33.33 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.873 -0.331 . . . . 62.1 111.304 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 146.48 48.98 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 119.52 -1.324 . . . . 38.07 114.122 173.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.535 ' HB2' ' CD2' ' A' ' 83' ' ' PHE . 41.4 tt0 -81.13 -44.51 17.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.56 0.68 . . . . 71.55 109.341 171.223 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -90.55 126.2 35.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.398 -0.819 . . . . 74.23 109.216 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -73.27 125.52 27.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.938 0.399 . . . . 70.45 110.762 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . 0.527 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -72.85 134.97 45.09 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.818 -0.628 . . . . 74.3 110.542 178.76 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -55.87 -64.08 0.97 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.76 -0.459 . . . . 72.54 109.76 175.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -147.78 -85.52 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.357 -0.838 . . . . 72.11 109.523 174.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -109.17 -30.06 8.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.555 -0.293 . . . . 62.53 111.413 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -52.67 -56.08 18.0 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.847 0.356 . . . . 75.33 111.926 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.527 ' HB ' ' HA ' ' A' ' 91' ' ' ALA . 1.3 m -68.33 -38.21 81.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.18 -0.464 . . . . 65.44 111.275 -176.844 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.63 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 27.4 mt-30 -68.16 -32.99 73.64 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.467 -0.333 . . . . 62.53 111.222 -178.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.73 -37.27 73.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.359 . . . . 62.02 110.706 177.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -69.13 -42.25 76.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.018 -0.537 . . . . 73.21 110.505 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.95 -21.46 66.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.964 -0.562 . . . . 72.44 111.677 -177.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.63 ' HG3' ' O ' ' A' ' 97' ' ' GLN . 88.1 mttt -82.43 -11.1 58.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.373 -0.376 . . . . 70.21 111.008 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 47.7 tp -117.77 -11.16 10.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 74.14 111.34 -177.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.446 ' SD ' ' HB2' ' A' ' 85' ' ' ALA . 24.6 ttt -63.57 -25.33 68.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.361 -0.381 . . . . 61.1 111.842 -174.56 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -49.68 -38.81 34.28 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.858 0.361 . . . . 61.44 111.677 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.403 HE21 ' C ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -68.95 -33.69 74.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.232 0.539 . . . . 62.32 110.774 179.295 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -80.86 -5.77 57.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.721 -0.672 . . . . 72.03 111.548 -177.53 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.604 HH21 ' HB1' ' A' ' 85' ' ' ALA . 25.0 mmt85 -56.43 155.16 7.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.341 0.591 . . . . 72.42 112.082 -177.162 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.7 69.75 2.98 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.654 -0.703 . . . . 74.22 111.825 177.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.817 HD12 ' HB3' ' A' ' 66' ' ' SER . 19.8 mt -64.94 -31.78 55.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.04 0.448 . . . . 73.31 110.906 -178.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -103.13 171.23 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.595 -0.73 . . . . 74.31 110.802 -177.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.552 ' N ' HD13 ' A' ' 72' ' ' ILE . 14.2 p -79.55 130.92 35.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.77 -0.65 . . . . 55.32 112.039 -173.383 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . 0.534 ' O ' HG12 ' A' ' 74' ' ' ILE . 97.7 m-85 -109.03 171.9 7.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.705 -0.68 . . . . 75.12 109.366 173.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.0 118.55 32.84 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.451 0.643 . . . . 74.21 109.596 175.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -151.58 139.22 19.69 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.522 -0.763 . . . . 73.1 109.802 -175.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.0 p -74.49 98.21 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.901 0.858 . . . . 60.23 111.175 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -120.95 114.34 21.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.378 -0.828 . . . . 73.45 109.642 176.782 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 68.47 -178.97 0.22 Allowed 'General case' 0 C--O 1.233 0.206 0 O-C-N 124.022 0.826 . . . . 44.11 110.39 -175.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -136.09 5.21 3.03 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.448 -0.501 . . . . 71.13 110.82 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 m -84.94 -35.48 22.05 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.829 0.307 . . . . 75.41 111.829 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 69.08 155.03 0.84 Allowed Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.867 -0.682 . . . . 75.12 112.274 -174.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -113.19 146.9 38.49 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.037 -0.727 . . . . 75.53 109.037 173.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . 0.605 ' HA ' ' HB3' ' A' ' 125' ' ' ASP . 44.1 mt-10 -75.73 -18.07 59.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.908 0.336 . . . . 72.22 111.908 -173.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -67.2 -36.94 82.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.419 -0.586 . . . . 74.04 109.419 170.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.484 ' OD1' ' HB3' ' A' ' 10' ' ' TYR . 7.8 t30 -77.95 -35.55 50.24 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.502 -0.772 . . . . 72.02 109.849 174.245 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.605 ' HB3' ' HA ' ' A' ' 122' ' ' GLU . 23.1 t70 -52.85 -37.14 59.87 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.571 -0.741 . . . . 74.42 112.507 -175.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -70.68 -45.86 64.25 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.512 -0.475 . . . . 74.41 111.221 -177.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.745 HG23 ' HB1' ' A' ' 23' ' ' ALA . 8.0 p -74.01 -29.02 24.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.132 0.492 . . . . 71.12 110.057 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -64.18 -49.32 72.53 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.778 -0.646 . . . . 71.43 109.418 174.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 44.2 ttm -56.05 -42.38 76.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.931 -1.031 . . . . 73.4 110.349 177.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.491 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 71.3 mmtt -54.74 -53.55 53.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 71.43 111.394 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.03 -45.16 74.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.115 -0.493 . . . . 75.53 111.542 -176.138 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -71.53 -35.38 70.66 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.51 0.559 . . . . 74.2 112.51 -173.534 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 68.9 p -73.09 -29.96 63.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.933 0.397 . . . . 70.34 110.481 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -74.23 -19.62 60.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 74.42 110.961 177.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 84.7 mt -93.76 -17.84 22.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.574 177.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.495 ' O ' ' HD3' ' A' ' 138' ' ' ARG . . . 98.91 25.25 9.83 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.186 -1.007 . . . . 62.02 113.316 176.765 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 48.7 mm -80.61 119.96 31.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 117.21 0.505 . . . . 63.41 111.001 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.495 ' HD3' ' O ' ' A' ' 136' ' ' GLY . 0.4 OUTLIER -120.49 128.05 52.78 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.525 -0.307 . . . . 70.31 110.197 177.271 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 50.26 74.27 0.23 Allowed 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.687 0.617 . . . . 74.41 112.004 176.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -81.18 -68.03 0.73 Allowed 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.57 -0.529 . . . . 71.42 109.57 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -105.5 2.05 28.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.55 0.69 . . . . 75.53 109.491 178.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -80.82 99.4 8.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.514 -0.767 . . . . 74.24 110.063 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -169.49 136.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 74.13 110.614 -177.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -73.05 113.71 10.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.329 -0.396 . . . . 74.11 110.538 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 55.4 p-80 -145.88 133.54 21.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.863 0.364 . . . . 75.44 110.786 -177.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -93.85 -25.3 17.41 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.358 -0.608 . . . . 74.04 109.358 175.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 43.4 m80 . . . . . 0 C--O 1.246 0.908 0 CA-C-N 115.379 -0.828 . . . . 73.23 109.126 174.175 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.2 ttm . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 110.109 -0.33 . . . . 75.43 110.109 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -106.87 83.72 1.88 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.905 -0.776 . . . . 63.12 108.905 176.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -106.22 87.28 2.52 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.368 -0.833 . . . . 74.53 110.083 -172.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -106.53 6.8 30.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.707 -0.679 . . . . 73.22 110.047 -178.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.5 t -109.38 128.26 54.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.645 -0.707 . . . . 72.14 110.756 -176.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.428 ' H ' ' HB ' ' A' ' 70' ' ' VAL . 24.9 mm-40 54.91 83.01 0.09 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.946 -0.57 . . . . 63.41 111.508 177.388 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.743 ' HB2' HG22 ' A' ' 72' ' ' ILE . 65.5 m-85 -79.89 128.85 33.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.034 0.445 . . . . 74.04 111.101 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 64.1 m-20 -88.26 108.77 19.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.146 0.498 . . . . 73.33 110.469 179.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.535 ' O ' ' HB3' ' A' ' 73' ' ' ARG . 43.8 t -129.42 112.59 25.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.569 -0.741 . . . . 74.4 109.343 178.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -121.12 171.57 8.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.265 0.555 . . . . 72.41 111.675 -176.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.2 t -155.25 141.78 18.76 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.919 -1.037 . . . . 73.21 108.504 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -77.68 154.4 32.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.909 0.385 . . . . 73.15 110.812 -175.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.7 16.19 5.63 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.484 -0.865 . . . . 61.22 112.918 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.9 p -92.75 118.49 31.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.278 0.561 . . . . 51.43 110.385 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -108.53 142.97 38.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.926 -0.579 . . . . 71.23 109.732 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.469 HG23 ' ND2' ' A' ' 17' ' ' ASN . 11.4 p -134.23 139.88 47.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.422 -0.354 . . . . 64.55 110.116 -176.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . 0.469 ' ND2' HG23 ' A' ' 16' ' ' VAL . 48.9 m-80 58.96 26.95 15.64 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.92 0.39 . . . . 65.31 110.912 -177.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.24 13.59 70.52 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.848 -0.691 . . . . 42.35 112.349 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.475 ' HB3' HD22 ' A' ' 135' ' ' LEU . 54.8 mt-30 -105.79 139.35 40.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 75.42 110.562 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -143.22 157.42 44.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.972 -0.558 . . . . 73.44 109.849 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.58 169.36 19.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.103 -0.499 . . . . 64.15 109.784 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 65.1 p-90 -95.75 131.04 42.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.504 -0.554 . . . . 74.43 109.504 177.075 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.475 ' HB3' HG22 ' A' ' 127' ' ' VAL . . . -137.61 136.79 37.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.021 -0.536 . . . . 64.5 110.627 -176.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -135.25 138.68 43.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.097 0.475 . . . . 74.31 110.935 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.71 115.69 11.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.595 -0.73 . . . . 61.21 110.087 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.58 ' HB2' ' HB2' ' A' ' 34' ' ' TYR . 90.4 m-85 -85.16 109.29 18.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.912 -0.585 . . . . 73.25 110.064 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 p -108.39 122.91 63.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.567 -0.742 . . . . 63.12 111.597 -175.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -127.59 135.19 49.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.504 -0.771 . . . . 54.23 109.235 177.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 66.89 14.8 9.97 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.504 0.502 . . . . 73.43 110.556 -179.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.85 0.08 86.05 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.692 -0.766 . . . . 55.3 112.15 -176.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.743 ' HE3' ' HA ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -109.76 142.34 41.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 75.35 110.554 179.198 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.4 t -89.27 120.16 37.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.286 -0.415 . . . . 74.45 109.951 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -103.98 -33.97 8.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.85 0.357 . . . . 72.13 111.243 -177.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.58 ' HB2' ' HB2' ' A' ' 26' ' ' PHE . 98.0 m-85 -122.64 140.98 52.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.869 -0.419 . . . . 71.11 109.869 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -149.73 133.78 17.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.199 -0.455 . . . . 72.34 110.552 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -164.19 160.21 21.04 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.009 0.433 . . . . 74.43 110.832 174.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -169.6 140.23 2.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.531 -0.759 . . . . 73.44 109.631 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -159.15 176.38 12.31 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.488 -0.56 . . . . 72.12 109.488 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 t -120.69 154.28 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.683 0.278 . . . . 74.44 110.556 -175.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.92 138.82 10.39 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.959 -0.639 . . . . 60.02 113.063 176.271 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -133.36 103.14 5.82 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.824 -0.435 . . . . 75.43 109.824 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -119.98 159.58 46.4 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.372 -0.377 . . . . 74.23 110.176 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.91 -34.22 96.67 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.545 2.163 . . . . 75.43 112.001 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.57 -12.54 59.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 62.12 111.076 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -90.11 5.59 46.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 44.1 110.983 -177.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.13 -28.64 69.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.266 0.555 . . . . 75.23 110.29 176.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.6 m -93.64 -45.48 7.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.672 -0.694 . . . . 74.11 109.74 174.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 54.1 tpp 71.72 -61.06 0.5 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.017 -0.992 . . . . 72.13 111.84 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -178.44 -162.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.168 -0.679 . . . . 74.53 109.168 -173.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -56.5 -22.98 36.35 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.864 0.364 . . . . 75.04 110.862 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.456 ' O ' HG12 ' A' ' 55' ' ' ILE . 31.8 t -51.21 -34.56 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 115.649 -0.705 . . . . 74.13 111.965 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.13 78.52 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.759 0.314 . . . . 72.24 111.199 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.58 -34.68 56.62 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.553 -0.832 . . . . 63.32 111.676 177.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -68.97 -42.97 75.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.645 0.26 . . . . 61.44 110.923 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 51' ' ' VAL . 29.3 pt -69.73 -31.68 49.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 72.44 110.793 178.507 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.16 -36.42 83.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 73.53 110.645 175.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.403 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . . . -66.22 -36.85 84.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.136 0.493 . . . . 70.53 110.649 176.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.17 -26.86 62.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.785 -0.643 . . . . 73.5 110.435 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.6 tp -64.37 -34.08 77.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.83 -0.623 . . . . 70.04 110.306 178.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.403 ' CD2' ' HA ' ' A' ' 57' ' ' ALA . 22.8 m-85 -62.95 -33.23 74.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 65.31 110.333 177.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.4 -38.77 78.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 63.03 110.319 178.149 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.34 -38.67 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.354 0.597 . . . . 75.04 110.072 176.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -63.57 -36.34 83.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.429 -0.805 . . . . 74.13 110.114 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -75.16 -39.72 60.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 75.43 111.028 176.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.445 ' HB2' HG21 ' A' ' 70' ' ' VAL . . . -54.4 -35.66 63.11 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.817 0.673 . . . . 74.41 112.817 -173.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.891 ' HB2' HD13 ' A' ' 109' ' ' ILE . 12.6 t -61.46 -29.55 70.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.082 0.468 . . . . 64.11 110.885 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -82.42 -23.27 34.95 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.093 -0.503 . . . . 63.21 110.605 -177.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.6 mp -87.13 -25.25 24.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.902 -0.59 . . . . 73.1 110.257 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.34 21.87 39.65 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.909 -0.662 . . . . 60.43 111.91 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.445 HG21 ' HB2' ' A' ' 65' ' ' ALA . 35.3 m -108.33 153.75 9.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 110.184 -0.302 . . . . 73.42 110.184 -179.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.536 ' HD2' ' N ' ' A' ' 71' ' ' LYS . 8.7 mptt -117.05 176.24 5.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.479 0.657 . . . . 72.44 111.072 -175.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.743 HG22 ' HB2' ' A' ' 7' ' ' TYR . 39.1 pt -124.06 161.13 27.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.348 -0.842 . . . . 62.33 109.007 173.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.535 ' HB3' ' O ' ' A' ' 9' ' ' VAL . 1.1 tmm_? -76.39 102.59 6.01 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.472 -0.936 . . . . 75.43 108.472 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.819 HD12 ' HB2' ' A' ' 110' ' ' TYR . 6.0 tp -82.77 136.08 23.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.469 0.652 . . . . 72.33 112.271 -172.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.467 HD11 ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -128.15 -168.54 1.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.525 -0.762 . . . . 71.24 110.003 174.824 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -96.68 87.69 4.42 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.833 -0.432 . . . . 73.22 109.833 178.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -84.31 174.71 9.92 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.436 -0.802 . . . . 70.22 110.806 -175.018 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -78.83 140.09 38.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.214 -0.448 . . . . 71.42 110.003 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.86 -13.21 42.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.054 -0.521 . . . . 75.22 112.354 -176.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -51.04 -51.31 35.58 Favored Glycine 0 CA--C 1.52 0.402 0 O-C-N 123.346 0.404 . . . . 64.41 113.477 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.1 tt -76.44 -22.42 15.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 121.269 0.557 . . . . 73.43 110.717 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.88 12.35 17.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.034 -0.53 . . . . 74.42 111.46 -176.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.435 ' HA ' ' OG1' ' A' ' 86' ' ' THR . 21.2 p90 -57.12 -22.82 42.73 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.082 -0.508 . . . . 75.43 111.846 -176.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -71.01 -32.18 68.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.354 -0.385 . . . . 74.13 110.624 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.87 -28.61 20.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.017 0.437 . . . . 61.13 110.831 -178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.435 ' OG1' ' HA ' ' A' ' 83' ' ' PHE . 35.8 p -82.8 -38.26 23.37 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.159 0.504 . . . . 73.34 110.8 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.74 25.45 71.96 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 121.024 -0.608 . . . . 72.14 111.658 -178.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -67.06 -23.96 65.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.916 0.388 . . . . 75.2 110.854 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 7.3 t90 -99.02 132.07 44.6 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.318 -1.364 . . . . 74.33 107.318 167.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -56.53 138.26 52.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.435 0.636 . . . . 64.22 112.509 -170.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.64 149.52 48.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.259 -0.882 . . . . 70.43 111.17 -177.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.686 ' HE3' ' HA ' ' A' ' 92' ' ' LYS . 0.9 OUTLIER -56.88 -51.24 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.842 -0.617 . . . . 65.11 109.88 179.657 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -164.11 -59.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.552 -0.749 . . . . 72.52 109.893 175.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -137.19 -44.26 0.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 72.51 111.31 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -52.77 -49.08 66.25 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.329 -0.396 . . . . 63.42 111.813 -173.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -36.46 84.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.925 0.393 . . . . 75.41 111.098 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . 0.569 ' OE1' ' HE3' ' A' ' 101' ' ' LYS . 5.6 mm-40 -70.11 -47.9 59.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.998 -0.547 . . . . 74.2 110.771 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.38 -38.07 82.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.078 -0.51 . . . . 72.23 111.058 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -72.17 -30.43 64.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.277 -0.419 . . . . 75.0 111.273 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.88 -41.15 64.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 65.24 110.496 175.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.569 ' HE3' ' OE1' ' A' ' 97' ' ' GLN . 35.0 mmtp -63.03 -48.24 79.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.047 -0.524 . . . . 65.24 110.248 177.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.636 ' O ' ' HG2' ' A' ' 105' ' ' GLN . 9.3 mp -92.66 41.41 1.07 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.759 -0.655 . . . . 60.13 111.032 -179.314 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' MET . . . . . 0.53 ' HA ' ' CZ ' ' A' ' 106' ' ' TYR . 25.6 ptt? -52.07 -27.66 14.66 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.552 -0.295 . . . . 72.45 111.676 176.598 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -59.82 -28.54 67.56 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.378 -0.374 . . . . 73.42 111.999 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.636 ' HG2' ' O ' ' A' ' 102' ' ' LEU . 14.0 pt20 -58.6 -39.13 79.55 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.544 0.211 . . . . 63.31 111.524 -176.232 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . 0.53 ' CZ ' ' HA ' ' A' ' 103' ' ' MET . 6.3 p90 -97.74 7.11 46.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.015 0.436 . . . . 72.23 111.361 177.241 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 61.2 mmt-85 -80.2 116.22 20.18 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.128 -0.693 . . . . 72.23 109.128 169.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 162.13 -46.59 0.35 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.882 -0.675 . . . . 70.44 111.502 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.891 HD13 ' HB2' ' A' ' 66' ' ' SER . 2.7 mp -71.34 -33.74 51.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.452 -0.944 . . . . 72.43 108.452 173.85 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.819 ' HB2' HD12 ' A' ' 74' ' ' ILE . 12.9 p90 -149.46 146.04 27.22 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 114.659 -1.155 . . . . 73.42 109.438 177.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.6 p -161.23 130.0 4.53 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.971 -0.751 . . . . 51.54 108.971 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -112.47 137.64 50.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.465 0.65 . . . . 70.22 111.992 -171.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -129.7 155.59 45.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.813 -1.085 . . . . 72.52 109.063 175.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -70.52 90.51 0.74 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.301 0.572 . . . . 72.22 109.513 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 29.1 m -118.77 161.24 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.612 -0.722 . . . . 73.41 110.469 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.625 ' H ' ' HD2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -75.98 157.36 33.19 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 116.112 -0.495 . . . . 75.53 110.174 178.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.37 108.48 4.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.968 -0.56 . . . . 74.42 110.956 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -130.58 14.28 5.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.283 0.563 . . . . 75.01 110.195 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.2 p -106.13 22.92 14.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.512 -0.767 . . . . 51.01 110.463 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -77.59 57.95 3.79 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.968 -0.56 . . . . 65.42 112.65 -177.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -71.8 167.13 20.6 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 122.743 0.417 . . . . 74.13 110.409 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -61.42 -19.44 61.95 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.868 -0.605 . . . . 65.01 112.053 -176.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -71.15 -28.25 64.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.516 -0.311 . . . . 73.22 111.761 -177.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -66.12 -29.13 69.38 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.635 0.255 . . . . 72.32 111.357 -175.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.78 -26.05 66.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 60.43 110.903 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -72.17 -48.7 41.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.041 -0.527 . . . . 73.23 110.785 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.475 HG22 ' HB3' ' A' ' 23' ' ' ALA . 10.9 p -76.78 -21.44 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 121.163 0.506 . . . . 52.14 110.092 -179.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -54.35 -40.45 68.1 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.439 -0.8 . . . . 52.41 110.902 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 52.6 ttp -56.74 -44.87 82.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.874 -0.603 . . . . 73.14 111.053 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -70.86 -34.99 72.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.213 -0.449 . . . . 74.24 110.405 -176.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.38 -47.36 56.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.078 -0.51 . . . . 74.33 111.378 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . 0.604 ' HD3' HD13 ' A' ' 135' ' ' LEU . 25.8 mmtp -67.6 -29.39 68.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.391 -0.368 . . . . 74.43 111.425 -176.424 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 52.4 m -64.11 -33.88 76.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.88 0.371 . . . . 64.24 110.691 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.12 -15.36 59.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.127 0.489 . . . . 70.12 111.058 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.604 HD13 ' HD3' ' A' ' 132' ' ' LYS . 96.5 mt -89.01 -10.96 45.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.181 0.515 . . . . 73.53 110.129 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 101.08 21.15 12.18 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.497 -0.858 . . . . 75.42 112.427 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . 0.463 HD13 ' HB2' ' A' ' 135' ' ' LEU . 1.9 mp -88.56 133.61 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.482 -0.562 . . . . 62.44 109.482 176.384 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.44 ' HB2' ' O ' ' A' ' 137' ' ' ILE . 64.0 mtp180 70.88 53.96 0.26 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.742 0.651 . . . . 60.42 111.122 -177.791 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -86.07 141.0 29.76 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.838 -0.619 . . . . 75.13 110.156 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 93.1 mt -91.94 -73.31 0.55 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.109 0.481 . . . . 55.41 110.73 -177.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -115.72 -20.88 9.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.962 -0.563 . . . . 75.22 111.088 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -79.76 91.83 5.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.225 0.536 . . . . 75.35 110.749 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -152.02 -55.87 0.14 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.145 -0.934 . . . . 74.45 108.509 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -158.8 130.18 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.605 -0.887 . . . . 74.33 108.605 170.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -119.83 93.03 3.93 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.469 -0.493 . . . . 74.42 110.352 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.5 m170 174.17 -158.15 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.874 -1.158 . . . . 73.32 107.874 -176.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 32.7 m170 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.279 -0.867 . . . . 64.1 109.385 173.071 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.754 0.311 . . . . 73.13 110.612 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -149.63 -39.68 0.15 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.312 -0.625 . . . . 72.34 109.312 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 67.16 85.38 0.14 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.828 -1.078 . . . . 71.04 111.918 177.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -115.34 4.63 14.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.447 0.641 . . . . 63.25 109.991 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.9 p -125.38 96.22 4.74 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.717 -0.674 . . . . 73.45 111.322 -177.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.459 ' H ' HG11 ' A' ' 70' ' ' VAL . 39.0 tt0 68.51 124.17 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.908 0.755 . . . . 62.1 112.127 176.408 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.602 ' HB2' HG22 ' A' ' 72' ' ' ILE . 97.5 m-85 -94.11 129.5 40.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.953 -0.567 . . . . 75.22 109.989 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -94.1 126.43 39.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.123 0.487 . . . . 64.22 110.11 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.562 ' HB ' ' O ' ' A' ' 73' ' ' ARG . 45.5 t -130.38 134.8 61.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.648 -0.706 . . . . 75.1 109.228 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.511 ' CZ ' ' HB1' ' A' ' 25' ' ' ALA . 53.9 p90 -122.28 152.94 39.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.018 0.437 . . . . 73.31 110.726 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.733 HG22 ' HB3' ' A' ' 75' ' ' LEU . 10.0 t -160.41 179.57 8.52 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.432 -0.804 . . . . 51.52 109.126 -176.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 t70 67.8 154.53 0.1 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.907 0.754 . . . . 74.23 110.879 -174.444 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.55 -74.22 0.07 OUTLIER Glycine 0 N--CA 1.442 -0.958 0 C-N-CA 120.184 -1.007 . . . . 72.21 112.627 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 t -129.49 118.0 21.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.264 0.554 . . . . 62.12 112.366 -172.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -122.61 106.59 11.11 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.321 -1.362 . . . . 71.55 107.321 167.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.8 p -141.56 139.85 31.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.822 0.344 . . . . 74.53 111.265 -173.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.2 m120 61.92 28.46 17.34 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.696 -0.684 . . . . 72.14 111.866 174.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.88 7.92 86.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.616 -0.802 . . . . 37.78 112.562 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 1.031 ' HB3' ' HG ' ' A' ' 135' ' ' LEU . 77.1 mm-40 -93.98 132.78 38.11 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.711 -0.477 . . . . 74.52 109.711 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -147.4 154.47 40.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.888 0.375 . . . . 75.11 110.376 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.41 ' HB1' ' O ' ' A' ' 38' ' ' ASP . . . -155.4 169.47 24.15 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.794 -0.639 . . . . 51.51 109.742 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TRP . . . . . 0.721 ' CD1' ' HB3' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -94.01 130.34 40.17 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.643 -1.243 . . . . 64.1 107.643 177.542 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.23 133.75 30.11 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 120.203 -0.599 . . . . 71.42 110.588 177.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -150.06 147.86 28.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.005 -0.543 . . . . 74.13 109.744 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.511 ' HB1' ' CZ ' ' A' ' 10' ' ' TYR . . . -148.45 124.09 10.46 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.135 -0.484 . . . . 72.01 110.118 174.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -90.97 112.62 24.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.614 -0.721 . . . . 71.11 109.421 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.03 124.83 59.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.57 0.7 . . . . 62.35 111.934 -172.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.619 ' HZ3' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -170.19 156.4 5.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.976 -1.011 . . . . 72.13 108.498 177.743 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 77.33 17.56 1.5 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.56 0.744 . . . . 73.24 109.975 -176.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.87 2.91 89.05 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.891 -0.595 . . . . 73.14 112.471 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.517 ' HZ3' ' HA ' ' A' ' 33' ' ' HIS . 0.0 OUTLIER -145.67 179.89 7.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.712 0.291 . . . . 70.41 110.655 -177.517 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.534 HG12 ' HB2' ' A' ' 35' ' ' GLU . 53.3 t -79.34 115.71 22.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.779 -0.452 . . . . 61.11 109.779 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.517 ' HA ' ' HZ3' ' A' ' 31' ' ' LYS . 10.1 t60 -79.58 -33.71 41.45 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.766 -0.457 . . . . 74.32 109.766 -177.599 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -156.77 144.47 19.2 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.963 -0.562 . . . . 73.51 110.814 174.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.534 ' HB2' HG12 ' A' ' 32' ' ' VAL . 17.3 tt0 -150.18 132.88 15.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.647 -0.706 . . . . 51.43 110.421 -175.553 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -165.83 163.91 18.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.803 -0.443 . . . . 71.42 109.803 174.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.75 125.34 6.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.867 -0.151 . . . . 75.44 111.403 -176.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.721 ' HB3' ' CD1' ' A' ' 22' ' ' TRP . 40.7 t0 -90.26 163.93 14.58 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.994 -0.743 . . . . 71.41 108.994 174.692 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.738 HG22 ' HG3' ' A' ' 41' ' ' LYS . 8.1 m -92.04 152.36 3.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 110.251 -0.277 . . . . 70.32 110.251 177.142 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.5 75.93 0.82 Allowed Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 121.064 -0.589 . . . . 73.45 113.334 -174.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.738 ' HG3' HG22 ' A' ' 39' ' ' VAL . 13.8 mtpp -124.25 -169.98 2.06 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.303 -0.999 . . . . 72.24 108.303 176.082 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -76.81 143.72 71.64 Favored Pre-proline 0 C--N 1.317 -0.812 0 C-N-CA 120.887 -0.325 . . . . 71.51 110.16 176.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.459 ' HG3' ' HB3' ' A' ' 83' ' ' PHE . 20.5 Cg_endo -61.35 -22.63 75.09 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.182 2.588 . . . . 74.31 113.1 -175.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.4 -18.44 58.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.445 -0.343 . . . . 65.33 111.029 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.09 -69.31 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.087 0.47 . . . . 71.24 111.498 -177.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.66 -44.06 14.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.847 -0.615 . . . . 71.34 111.95 -173.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.63 14.04 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.499 0.666 . . . . 74.23 111.634 -174.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 54.5 ttm -99.17 100.66 11.8 Favored 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 107.265 -1.383 . . . . 62.23 107.265 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.653 ' HG3' ' H ' ' A' ' 50' ' ' ASN . 8.6 tpp180 78.64 -170.07 0.05 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 113.816 -1.538 . . . . 74.02 108.769 -174.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.653 ' H ' ' HG3' ' A' ' 49' ' ' ARG . 76.7 m-20 71.69 -85.3 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 122.818 0.447 . . . . 74.34 110.997 178.32 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.628 HG21 ' HB2' ' A' ' 38' ' ' ASP . 19.7 t -64.22 -35.92 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.03 111.142 -174.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.42 -27.29 64.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.808 -0.633 . . . . 72.11 111.868 -176.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.34 -43.79 36.83 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.673 -0.775 . . . . 62.12 112.27 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.31 -29.4 67.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.832 0.349 . . . . 73.11 111.449 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.427 HG12 ' O ' ' A' ' 51' ' ' VAL . 47.0 mm -71.42 -29.52 35.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.46 -0.337 . . . . 75.23 111.033 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.37 -36.47 63.9 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.608 0.596 . . . . 73.54 112.608 -174.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.11 -36.73 84.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.928 0.394 . . . . 75.51 111.167 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -74.84 -25.78 59.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.107 -0.497 . . . . 73.24 110.461 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.5 HD22 ' HE3' ' A' ' 63' ' ' LYS . 7.3 tt -63.26 -35.43 80.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.984 -0.553 . . . . 74.43 110.373 178.724 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -67.33 -37.44 83.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.251 -0.432 . . . . 74.21 110.336 176.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.55 97.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.508 . . . . 74.22 110.411 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.472 HG12 ' HB ' ' A' ' 109' ' ' ILE . 98.2 t -62.44 -39.29 83.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 115.901 -0.59 . . . . 70.22 110.422 176.427 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.5 ' HE3' HD22 ' A' ' 59' ' ' LEU . 88.5 mttt -59.54 -46.45 88.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 74.53 111.112 177.356 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' O ' HD12 ' A' ' 68' ' ' LEU . 48.2 mtpt -68.55 -28.71 67.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.555 -0.293 . . . . 72.42 111.228 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . 0.428 ' HB3' HG21 ' A' ' 109' ' ' ILE . . . -61.55 -28.72 69.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.454 -0.339 . . . . 75.22 111.14 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.618 ' HA ' HD11 ' A' ' 109' ' ' ILE . 23.0 t -66.15 -39.64 89.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.008 0.432 . . . . 74.34 110.037 178.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -70.51 -41.66 72.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.972 -0.558 . . . . 73.13 109.978 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.416 HD12 ' O ' ' A' ' 64' ' ' LYS . 8.1 mp -68.67 -23.27 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.416 -0.811 . . . . 64.34 110.913 179.223 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.92 34.75 29.7 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.032 -0.604 . . . . 62.03 112.554 176.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.459 HG11 ' H ' ' A' ' 6' ' ' GLU . 27.7 m -123.62 170.64 13.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.812 0.339 . . . . 60.43 110.862 -178.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -115.58 163.35 15.9 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.565 -0.531 . . . . 75.32 109.565 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.602 HG22 ' HB2' ' A' ' 7' ' ' TYR . 2.6 pp -108.25 158.41 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.752 -0.379 . . . . 65.35 110.347 174.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.562 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 97.3 mtt180 -91.99 108.82 20.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.313 0.577 . . . . 72.13 111.121 -178.058 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.68 HD12 ' HD2' ' A' ' 78' ' ' TYR . 15.5 tt -115.8 143.04 26.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.321 -0.854 . . . . 73.22 110.636 -176.617 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.733 ' HB3' HG22 ' A' ' 11' ' ' THR . 2.7 pt? -58.28 173.68 0.35 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.571 0.701 . . . . 74.41 112.356 -178.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -95.82 151.06 19.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.612 -0.722 . . . . 73.33 110.037 -177.167 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 54.47 71.74 0.51 Allowed 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.784 0.678 . . . . 72.33 111.798 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TYR . . . . . 0.68 ' HD2' HD12 ' A' ' 74' ' ' ILE . 0.6 OUTLIER -83.55 79.65 9.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.212 -0.449 . . . . 74.33 109.843 179.742 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.13 -15.28 61.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.035 0.445 . . . . 61.41 111.192 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.409 ' HA2' ' HD2' ' A' ' 83' ' ' PHE . . . -63.87 -22.42 66.46 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.928 -0.578 . . . . 74.32 113.195 -177.702 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.488 HG12 ' O ' ' A' ' 78' ' ' TYR . 37.2 pt -66.39 -26.24 37.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.886 0.343 . . . . 72.12 111.061 -179.39 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . 0.577 ' HB1' ' HA ' ' A' ' 90' ' ' LYS . . . -70.58 -33.96 71.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.078 0.466 . . . . 74.1 110.238 178.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.764 ' HA ' ' HA2' ' A' ' 87' ' ' GLY . 96.8 m-85 -76.95 -30.51 56.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.707 -0.678 . . . . 63.12 110.198 178.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -71.5 -39.97 70.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.895 -0.593 . . . . 73.41 109.974 176.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.8 -55.37 30.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.704 -0.68 . . . . 73.11 110.899 177.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.483 HG23 ' H ' ' A' ' 87' ' ' GLY . 6.2 t -136.14 -57.35 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.541 -0.299 . . . . 64.25 111.064 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.764 ' HA2' ' HA ' ' A' ' 83' ' ' PHE . . . 118.77 -54.17 0.64 Allowed Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.237 -0.982 . . . . 37.78 113.548 176.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.22 -52.4 54.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.776 0.288 . . . . 73.13 111.423 -175.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 32.3 p90 -115.97 162.02 17.98 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.013 -0.366 . . . . 73.41 110.013 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LYS . . . . . 0.577 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 87.1 mttt -96.42 123.95 40.25 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.129 -0.487 . . . . 72.42 111.353 -174.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.82 88.76 1.03 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.754 -0.657 . . . . 53.11 110.395 177.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -107.35 -58.88 1.9 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.137 -0.483 . . . . 72.11 110.505 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -148.12 101.63 3.3 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.365 -0.605 . . . . 61.21 109.365 172.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.833 ' HB3' HG23 ' A' ' 96' ' ' THR . 28.3 tt0 -178.96 167.7 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.057 -0.72 . . . . 64.51 109.057 -172.251 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -54.43 -29.57 49.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.007 0.432 . . . . 74.21 111.169 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.833 HG23 ' HB3' ' A' ' 94' ' ' GLU . 7.2 t -54.09 -27.94 36.05 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.601 -0.727 . . . . 62.44 111.864 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -60.23 -32.82 71.49 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 120.699 0.285 . . . . 61.54 111.388 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.67 -33.02 71.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.127 0.489 . . . . 63.32 110.479 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -79.32 -36.3 39.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.132 -0.485 . . . . 73.54 110.353 176.643 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.0 -20.59 66.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 54.23 111.123 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.593 ' HA ' ' HB3' ' A' ' 104' ' ' ASN . 22.5 ttmt -75.79 -2.57 30.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 50.3 110.808 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.59 -51.16 68.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.651 -0.87 . . . . 65.42 108.651 172.064 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 17.2 tpt -73.09 -30.13 63.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.305 0.574 . . . . 71.53 110.173 176.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.593 ' HB3' ' HA ' ' A' ' 101' ' ' LYS . 18.8 t-20 -63.92 -22.62 67.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.619 -0.719 . . . . 62.04 111.27 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.43 ' C ' HE21 ' A' ' 105' ' ' GLN . 0.0 OUTLIER -57.81 -34.53 69.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.802 -0.636 . . . . 75.41 110.376 174.968 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -82.72 -20.8 35.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.097 0.475 . . . . 73.0 110.397 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.502 ' HA ' ' CE1' ' A' ' 110' ' ' TYR . 4.1 tmt_? -60.68 137.96 58.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.868 -0.605 . . . . 64.43 110.352 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 168.41 -52.63 0.22 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.957 -0.639 . . . . 74.42 111.611 -177.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ILE . . . . . 0.618 HD11 ' HA ' ' A' ' 66' ' ' SER . 39.9 mm -81.92 -36.63 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.065 0.46 . . . . 41.12 110.108 176.321 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.502 ' CE1' ' HA ' ' A' ' 107' ' ' ARG . 28.8 p90 -97.84 143.49 28.4 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.041 -0.726 . . . . 74.13 109.041 171.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.5 p -173.68 130.06 0.42 Allowed 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.974 -0.75 . . . . 70.22 108.974 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -101.74 137.55 39.9 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.265 0.555 . . . . 73.45 111.09 -173.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -131.66 149.96 52.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.099 -0.955 . . . . 71.04 108.983 177.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -86.94 79.07 8.87 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 121.628 0.728 . . . . 62.04 109.996 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 35.6 m -126.66 163.05 29.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 114.685 -1.143 . . . . 73.25 109.158 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LYS . . . . . 0.677 ' O ' ' HD3' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -70.44 130.04 40.87 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.459 -0.571 . . . . 71.54 109.459 175.724 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 177.71 75.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 71.2 111.422 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -144.99 21.9 1.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.358 0.599 . . . . 72.32 109.953 171.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.1 m -104.82 35.2 2.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.559 -0.746 . . . . 64.32 110.35 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -78.06 -135.25 0.87 Allowed Glycine 0 CA--C 1.519 0.343 0 C-N-CA 121.094 -0.574 . . . . 62.11 113.692 -174.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -86.45 162.6 18.03 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.202 -0.296 . . . . 74.44 110.202 -175.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -74.99 5.0 5.64 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.925 0.393 . . . . 74.52 111.427 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 10' ' ' TYR . 40.4 m-85 -60.69 -23.5 64.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.972 -0.558 . . . . 73.02 110.62 172.117 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASN . . . . . 0.491 ' HA ' HG13 ' A' ' 127' ' ' VAL . 31.2 p-10 -61.14 -28.57 69.21 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.971 0.415 . . . . 64.24 110.417 176.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . 0.476 ' O ' ' HB3' ' A' ' 128' ' ' ASP . 21.7 t70 -75.97 -33.29 59.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.566 0.698 . . . . 71.43 110.305 174.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' TYR . . . . . 0.451 ' HA ' ' HE2' ' A' ' 129' ' ' MET . 44.1 t80 -65.03 -41.92 94.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.201 -0.909 . . . . 71.42 110.443 177.34 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' VAL . . . . . 0.491 HG13 ' HA ' ' A' ' 124' ' ' ASN . 12.4 p -77.22 -20.26 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 120.902 0.382 . . . . 73.55 110.578 177.429 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ASP . . . . . 0.476 ' HB3' ' O ' ' A' ' 125' ' ' ASP . 5.6 t70 -60.66 -43.75 97.25 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.053 0.454 . . . . 75.31 110.325 174.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' MET . . . . . 0.451 ' HE2' ' HA ' ' A' ' 126' ' ' TYR . 71.7 mtm -66.86 -32.94 74.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.816 -0.629 . . . . 73.55 110.422 178.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -60.68 -48.58 81.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 64.14 110.451 174.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.26 -39.94 80.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.998 -0.547 . . . . 73.14 111.119 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -55.41 -50.23 70.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.415 0.626 . . . . 74.24 110.561 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.9 t -74.73 -32.49 62.13 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.255 -0.884 . . . . 72.23 110.96 -174.144 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.7 -31.34 72.22 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.643 0.608 . . . . 71.5 112.643 -174.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 1.031 ' HG ' ' HB3' ' A' ' 19' ' ' GLN . 3.7 mm? -83.83 -8.31 59.25 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.061 -0.255 . . . . 73.35 111.072 -175.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 116.36 4.8 17.52 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.036 -1.078 . . . . 52.33 113.152 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 48.8 mt -89.58 90.12 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.418 -0.586 . . . . 74.52 109.418 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ARG . . . . . 0.443 ' HD2' ' HA ' ' A' ' 138' ' ' ARG . 8.2 tpt180 -96.36 138.88 33.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.823 -0.626 . . . . 65.51 110.758 -174.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 55.69 89.7 0.04 OUTLIER 'General case' 0 CA--C 1.518 -0.28 0 O-C-N 124.106 0.879 . . . . 63.41 111.947 -178.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.71 -27.21 67.44 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.94 -1.027 . . . . 75.0 109.949 177.53 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -66.43 -26.13 67.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.405 -0.816 . . . . 64.52 111.714 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -85.57 87.1 7.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.973 0.415 . . . . 74.44 109.968 -178.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -164.06 159.66 20.79 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.416 -0.811 . . . . 64.42 109.379 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -135.76 102.48 5.09 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.906 -0.405 . . . . 73.23 109.906 175.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -77.79 120.32 22.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.217 0.532 . . . . 75.12 110.728 -177.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -68.48 -38.12 80.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.538 -0.912 . . . . 75.53 108.538 172.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 5.2 m80 . . . . . 0 C--O 1.246 0.918 0 CA-C-N 114.828 -1.078 . . . . 71.43 109.265 173.151 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 . . . . . 0 N--CA 1.462 0.144 0 CA-C-O 120.959 0.409 . . . . 72.439999999999998 111.239 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -74.26 -23.58 59.15 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.496 0.665 . . . . 74.329999999999998 110.093 172.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.1 p -94.79 93.74 7.67 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.382 -0.826 . . . . 63.350000000000001 111.202 -176.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 57.21 173.88 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 O-C-N 124.2 0.938 . . . . 51.420000000000002 113.008 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -137.16 143.11 42.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.929 -1.032 . . . . 73.540000000000006 108.474 172.179 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.484 ' HB2' HG13 ' A' ' 27' ' ' VAL . 18.0 m-20 -113.64 138.86 49.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.849 0.357 . . . . 64.219999999999999 110.316 -177.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.7 t -128.82 111.02 22.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.594 -0.521 . . . . 74.420000000000002 109.594 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.777 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 47.9 m-85 -86.26 126.85 34.58 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.799 -0.445 . . . . 75.319999999999993 109.799 177.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.471 HG21 HG13 ' A' ' 74' ' ' ILE . 14.9 t -152.1 12.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.303 -0.408 . . . . 63.439999999999998 111.596 -175.757 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.421 ' HB3' HD21 ' A' ' 124' ' ' ASN . 36.2 t70 -85.96 79.03 9.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.431 0.634 . . . . 75.349999999999994 110.788 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.66 108.47 3.67 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.088 -1.205 . . . . 73.329999999999998 110.088 171.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.4 p -58.01 120.75 9.1 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.094 0.473 . . . . 73.140000000000001 111.445 -176.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -69.13 148.5 49.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.611 -0.722 . . . . 64.430000000000007 110.575 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.409 HG22 ' OD1' ' A' ' 17' ' ' ASN . 13.6 p -128.45 130.55 69.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.148 -0.478 . . . . 73.219999999999999 110.255 -177.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.409 ' OD1' HG22 ' A' ' 16' ' ' VAL . 27.6 m120 60.52 28.7 18.38 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.731 -0.668 . . . . 63.210000000000001 111.051 -177.214 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.54 -12.13 35.44 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 121.015 -0.612 . . . . 74.200000000000003 112.942 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -74.14 127.03 31.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.888 0.375 . . . . 62.119999999999997 110.928 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -98.35 134.44 41.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.826 -0.624 . . . . 73.319999999999993 110.552 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.403 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -125.35 150.23 47.38 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.449 -0.945 . . . . 61.25 108.449 172.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -96.45 129.97 43.7 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.042 -0.663 . . . . 70.430000000000007 110.296 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.791 ' HB1' HG22 ' A' ' 127' ' ' VAL . . . -127.73 135.56 50.33 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.314 -0.857 . . . . 71.230000000000004 108.72 177.283 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -141.98 137.6 31.32 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.196 0.522 . . . . 74.239999999999995 111.239 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.777 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . . . -131.79 112.5 12.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.083 -0.962 . . . . 61.049999999999997 109.673 176.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -84.54 102.96 13.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.307 0.575 . . . . 71.439999999999998 109.928 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.566 ' HB ' HG22 ' A' ' 32' ' ' VAL . 2.5 p -111.54 130.84 64.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.362 -0.835 . . . . 55.350000000000001 111.242 -176.305 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 29' ' ' ASP . 21.9 mtpp -130.95 135.41 47.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.273 -0.876 . . . . 74.25 108.888 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 29.9 t70 69.16 9.22 7.26 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.853 0.835 . . . . 73.200000000000003 110.623 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.12 -1.22 79.84 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.708 -0.758 . . . . 72.299999999999997 111.524 -175.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -103.74 127.16 51.24 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.577 -0.527 . . . . 74.430000000000007 109.577 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.566 HG22 ' HB ' ' A' ' 27' ' ' VAL . 71.3 t -81.38 118.02 28.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.471 -0.566 . . . . 64.450000000000003 109.471 178.586 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -71.73 -40.45 69.41 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.827 -0.434 . . . . 71.439999999999998 109.827 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -171.96 160.6 5.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.698 -0.683 . . . . 74.519999999999996 109.167 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.74 160.29 40.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.373 -0.376 . . . . 73.439999999999998 110.407 175.255 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -162.47 166.92 24.32 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.935 -0.765 . . . . 71.519999999999996 108.935 177.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.425 ' HB3' ' HG3' ' A' ' 130' ' ' LYS . . . -165.97 139.64 4.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.679 -0.237 . . . . 54.509999999999998 110.77 -175.512 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.59 ' HA ' ' CB ' ' A' ' 134' ' ' ALA . 18.8 t0 -162.24 173.61 13.99 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.528 -0.545 . . . . 72.319999999999993 109.528 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.9 m -95.13 156.58 3.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.728 0.299 . . . . 75.409999999999997 110.905 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.29 92.49 0.44 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.674 -0.774 . . . . 73.019999999999996 112.217 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -100.58 89.29 3.87 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.858 -0.423 . . . . 75.409999999999997 109.858 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -137.29 150.66 69.6 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.922 -0.581 . . . . 72.310000000000002 109.928 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.6 -36.59 92.17 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.814 2.342 . . . . 75.209999999999994 112.74 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.78 -6.03 46.68 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.135 0.42 . . . . 74.329999999999998 112.135 -177.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.547 ' HB1' HH21 ' A' ' 49' ' ' ARG . . . -73.62 -6.93 49.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.725 0.298 . . . . 71.420000000000002 111.441 -178.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.569 ' HA ' ' O ' ' A' ' 49' ' ' ARG . . . -63.25 -21.23 66.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 71.310000000000002 111.037 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.9 m -58.63 -29.89 66.87 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.212 0.53 . . . . 62.039999999999999 110.961 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.4 mtm -107.94 -46.35 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 73.340000000000003 110.356 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.569 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 26.4 mtm-85 -111.23 105.89 14.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.698 -0.683 . . . . 55.509999999999998 110.138 -176.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -82.01 10.0 7.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.977 -0.556 . . . . 71.099999999999994 111.18 -173.206 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.5 t -53.87 -29.44 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 115.607 -0.724 . . . . 63.509999999999998 111.106 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.37 -23.57 16.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.614 -0.721 . . . . 74.329999999999998 111.756 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.51 -50.13 64.41 Favored Glycine 0 C--N 1.334 0.427 0 C-N-CA 120.94 -0.648 . . . . 74.439999999999998 111.935 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -66.03 -38.42 88.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.917 0.389 . . . . 64.549999999999997 110.083 177.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.31 -30.85 51.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.851 -0.613 . . . . 72.109999999999999 110.698 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.44 -39.53 70.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.215 -0.448 . . . . 54.43 110.64 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.443 ' HA ' ' HD2' ' A' ' 60' ' ' TYR . . . -72.15 -28.94 63.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.14 0.495 . . . . 34.32 110.488 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -66.23 -24.9 66.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.839 -0.619 . . . . 42.039999999999999 110.632 175.253 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.25 -39.27 93.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.346 -0.613 . . . . 72.150000000000006 109.346 176.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.443 ' HD2' ' HA ' ' A' ' 57' ' ' ALA . 97.4 m-85 -68.57 -33.48 74.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.853 -0.612 . . . . 72.530000000000001 110.244 176.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.53 -39.1 91.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.164 -0.471 . . . . 74.099999999999994 110.322 176.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 58' ' ' ALA . 92.7 t -62.99 -43.91 99.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.985 -0.552 . . . . 71.209999999999994 110.259 175.223 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -66.47 -39.21 88.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.079 -0.509 . . . . 64.439999999999998 110.237 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -66.26 -35.81 81.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.721 -0.672 . . . . 71.219999999999999 111.047 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.52 -32.98 67.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 55.109999999999999 111.344 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -38.86 72.16 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.095 -0.502 . . . . 63.310000000000002 110.61 177.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -71.15 -33.11 69.73 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.482 -0.781 . . . . 70.430000000000007 111.053 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.8 mp -83.11 -24.71 32.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.202 -0.454 . . . . 72.040000000000006 111.004 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.87 14.31 46.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.829 -0.7 . . . . 74.299999999999997 112.099 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.58 172.0 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 110.168 -0.308 . . . . 75.430000000000007 110.168 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 109' ' ' ILE . 31.5 pttt -153.65 178.18 10.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.531 0.205 . . . . 72.129999999999995 110.729 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.9 pp -124.73 166.64 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.304 -0.407 . . . . 72.340000000000003 110.172 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -135.36 141.75 45.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.631 -0.258 . . . . 74.140000000000001 110.307 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.494 HG23 ' HD1' ' A' ' 112' ' ' PHE . 20.8 tt . . . . . 0 C--N 1.321 -0.645 0 N-CA-C 109.4 -0.593 . . . . 63.329999999999998 109.4 174.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.725 -0.472 . . . . 74.030000000000001 109.725 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.07 19.09 2.29 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 121.358 -0.449 . . . . 65.209999999999994 114.045 -172.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 4.0 mp -97.07 -11.39 8.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.699 0.762 . . . . 65.239999999999995 109.37 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -126.13 144.28 50.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.549 -0.751 . . . . 72.129999999999995 109.336 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.5 p -169.05 171.39 8.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.945 -0.391 . . . . 72.239999999999995 109.945 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.494 ' HD1' HG23 ' A' ' 74' ' ' ILE . 78.2 t80 -122.0 135.22 54.83 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.507 -0.553 . . . . 75.099999999999994 109.507 176.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -128.8 124.54 35.68 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.36 -0.607 . . . . 73.010000000000005 109.36 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -107.88 110.8 22.66 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.267 0.556 . . . . 64.450000000000003 110.909 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.3 m -121.1 162.32 20.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.396 -0.82 . . . . 72.299999999999997 109.819 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -111.33 101.83 10.27 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.692 -0.484 . . . . 75.109999999999999 109.692 175.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -142.4 117.03 9.75 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.977 -0.556 . . . . 73.340000000000003 110.888 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -95.1 12.39 28.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.483 0.659 . . . . 70.239999999999995 109.682 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.1 m -87.99 36.53 0.77 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.084 -0.962 . . . . 52.219999999999999 110.321 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.29 119.05 11.62 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.593 -0.73 . . . . 65.019999999999996 113.112 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.562 HD21 ' HD2' ' A' ' 123' ' ' PHE . 49.7 t30 -54.38 145.78 17.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.782 -0.709 . . . . 63.340000000000003 110.107 175.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -53.61 -33.87 56.5 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 111.964 0.357 . . . . 73.120000000000005 111.964 -173.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.562 ' HD2' HD21 ' A' ' 121' ' ' ASN . 74.2 m-85 -63.49 -30.96 72.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.418 -0.356 . . . . 74.409999999999997 111.455 -178.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.421 HD21 ' HB3' ' A' ' 12' ' ' ASP . 9.0 t30 -77.86 -36.55 49.79 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.039 -0.356 . . . . 62.329999999999998 110.039 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.76 -33.67 74.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.292 0.567 . . . . 65.420000000000002 110.032 177.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -60.68 -46.77 89.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.137 -0.938 . . . . 72.109999999999999 110.715 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.791 HG22 ' HB1' ' A' ' 23' ' ' ALA . 9.9 p -78.25 -26.63 14.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.669 0.271 . . . . 70.319999999999993 110.849 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.464 ' O ' ' HD3' ' A' ' 132' ' ' LYS . 14.9 t70 -62.5 -49.45 75.29 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.754 0.311 . . . . 75.310000000000002 110.485 178.363 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 25.1 ptm -63.69 -31.64 72.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.393 -0.367 . . . . 74.530000000000001 110.294 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.425 ' HG3' ' HB3' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -63.51 -36.13 82.74 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.25 -0.432 . . . . 51.119999999999997 110.417 176.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -67.17 -38.54 85.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.166 -0.47 . . . . 54.020000000000003 110.703 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.464 ' HD3' ' O ' ' A' ' 128' ' ' ASP . 0.5 OUTLIER -62.78 -34.25 76.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.123 0.487 . . . . 74.040000000000006 110.512 177.855 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.6 t -60.25 -34.53 73.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.577 -0.738 . . . . 73.349999999999994 110.506 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.59 ' CB ' ' HA ' ' A' ' 38' ' ' ASP . . . -72.48 -25.69 61.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 74.209999999999994 111.681 -177.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 135' ' ' LEU . 4.1 mm? -85.25 -9.69 57.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.095 0.474 . . . . 73.230000000000004 109.944 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 97.53 20.56 21.96 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.551 -0.833 . . . . 51.109999999999999 112.322 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.0 mp . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 121.4 0.619 . . . . 73.340000000000003 110.453 177.447 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 121.912 0.863 . . . . 74.140000000000001 111.205 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 4' ' ' ARG . 12.6 ptt180 -100.22 3.64 43.77 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.143 -1.058 . . . . 73.120000000000005 108.143 167.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.78 131.45 45.98 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 114.244 -1.344 . . . . 70.409999999999997 110.018 177.146 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.568 ' HG3' HH22 ' A' ' 73' ' ' ARG . 8.9 pt-20 -58.14 143.83 42.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.824 0.345 . . . . 74.25 110.772 -178.597 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.621 ' HB2' HG22 ' A' ' 72' ' ' ILE . 10.2 m-85 -72.75 131.59 42.54 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.702 0.63 . . . . 75.0 112.702 -167.487 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -113.45 130.56 56.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.11 -0.95 . . . . 63.219999999999999 109.562 176.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.6 t -121.36 111.73 32.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.515 -0.55 . . . . 75.329999999999998 109.515 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.421 ' HD1' HG11 ' A' ' 27' ' ' VAL . 76.0 m-85 -101.03 113.97 27.47 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.593 0.711 . . . . 72.329999999999998 110.001 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 t -141.71 94.44 2.68 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.862 -1.063 . . . . 71.540000000000006 110.041 -176.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.731 ' HB2' ' HB2' ' A' ' 124' ' ' ASN . 3.2 t0 -98.47 -166.62 1.39 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.702 -0.851 . . . . 63.439999999999998 108.702 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.97 67.09 2.11 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.755 -0.736 . . . . 61.5 111.788 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.9 m -77.66 -82.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.092 -0.336 . . . . 64.409999999999997 110.092 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -146.89 128.96 15.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.797 0.332 . . . . 75.400000000000006 110.364 174.042 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 p -114.55 125.22 71.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.943 -0.571 . . . . 51.310000000000002 109.99 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 57.66 26.87 13.47 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.713 -0.676 . . . . 74.030000000000001 111.123 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.88 -25.63 26.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.151 -0.547 . . . . 70.239999999999995 112.639 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -76.97 125.42 29.28 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.988 -0.375 . . . . 72.430000000000007 109.988 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -107.7 149.22 28.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.86 0.362 . . . . 75.329999999999998 110.74 -177.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.593 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -145.6 169.41 18.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.893 -0.594 . . . . 73.310000000000002 109.858 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.639 ' CZ2' ' HB3' ' A' ' 38' ' ' ASP . 52.2 p-90 -122.07 129.57 52.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.242 0.544 . . . . 72.430000000000007 110.25 176.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.86 ' HB1' HG22 ' A' ' 127' ' ' VAL . . . -152.06 136.82 17.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.275 -0.875 . . . . 72.209999999999994 109.095 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -155.4 154.17 31.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.933 0.397 . . . . 75.439999999999998 111.231 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.95 122.63 23.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.51 -0.768 . . . . 70.019999999999996 109.876 174.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.655 ' HB2' ' HB2' ' A' ' 34' ' ' TYR . 36.0 m-85 -84.25 104.23 14.12 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.007 0.432 . . . . 72.519999999999996 110.117 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 3.8 p -118.0 127.93 75.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.553 -0.748 . . . . 74.030000000000001 111.153 -176.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -129.05 131.58 47.35 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.051 -0.722 . . . . 73.129999999999995 109.051 175.194 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 t70 66.24 13.07 8.99 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.565 0.698 . . . . 74.219999999999999 110.705 174.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.45 1.35 59.15 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.686 -0.688 . . . . 63.200000000000003 112.581 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 27' ' ' VAL . 12.3 mptt -109.48 143.08 39.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.095 0.474 . . . . 74.519999999999996 110.586 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.7 t -108.75 124.39 65.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.798 -0.637 . . . . 62.210000000000001 110.681 -176.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -111.8 -27.35 8.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.348 -0.387 . . . . 74.239999999999995 111.411 -177.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.655 ' HB2' ' HB2' ' A' ' 26' ' ' PHE . 94.0 m-85 -129.35 140.46 51.37 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.268 -0.27 . . . . 75.129999999999995 110.933 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -157.84 124.17 4.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.737 -0.665 . . . . 64.209999999999994 110.034 -178.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -162.68 147.87 12.13 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 110.286 -0.265 . . . . 63.310000000000002 110.286 176.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -143.07 136.28 28.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.423 -0.353 . . . . 75.019999999999996 110.534 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.639 ' HB3' ' CZ2' ' A' ' 22' ' ' TRP . 32.4 t70 -159.67 168.87 24.97 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.464 -0.569 . . . . 71.349999999999994 109.464 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 t -107.38 134.26 49.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.04 0.448 . . . . 74.219999999999999 111.375 -176.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.97 108.61 0.01 OUTLIER Glycine 0 CA--C 1.523 0.534 0 CA-C-N 115.294 -0.867 . . . . 73.120000000000005 114.034 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -108.53 80.43 1.34 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.662 0.744 . . . . 65.200000000000003 110.234 173.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -80.82 153.11 72.69 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.345 -0.843 . . . . 73.299999999999997 110.118 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -46.54 -51.9 8.23 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.368 2.712 . . . . 64.230000000000004 113.654 -175.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.91 -53.72 29.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.704 -0.226 . . . . 73.239999999999995 111.143 -177.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.58 -50.17 72.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 55.009999999999998 112.207 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.32 -36.06 81.0 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.796 0.331 . . . . 72.420000000000002 111.552 -176.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -76.91 -41.37 43.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.929 0.395 . . . . 64.409999999999997 110.542 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 49.4 tpp -62.27 -44.1 97.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.031 -0.532 . . . . 74.150000000000006 110.55 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -75.96 -4.11 39.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.799 -0.637 . . . . 75.439999999999998 111.508 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.0 t30 70.06 0.66 3.19 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.21 -0.45 . . . . 71.439999999999998 112.04 173.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.2 t -56.01 -44.56 78.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.443 -0.344 . . . . 53.240000000000002 111.377 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.554 ' HA ' HD11 ' A' ' 55' ' ' ILE . . . -62.66 -16.74 58.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.935 -0.575 . . . . 73.140000000000001 112.115 -177.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.18 96.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.039 -0.6 . . . . 54.039999999999999 112.744 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.29 -48.61 77.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.972 0.415 . . . . 73.409999999999997 110.742 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.662 ' H ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -69.47 -28.74 39.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 73.409999999999997 111.251 177.912 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.11 -41.5 97.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.993 0.425 . . . . 42.140000000000001 110.339 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.49 -35.52 77.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.26 0.552 . . . . 74.109999999999999 110.341 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.48 -22.2 66.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.523 -0.762 . . . . 54.299999999999997 111.383 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.3 tp -59.86 -35.45 74.82 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.102 0.477 . . . . 60.329999999999998 110.646 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -68.52 -31.32 70.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.067 -0.515 . . . . 72.200000000000003 110.724 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.85 -34.94 74.3 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.843 -0.428 . . . . 74.299999999999997 109.843 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.1 -39.67 86.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.919 -0.582 . . . . 51.409999999999997 110.162 174.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -61.42 -42.58 98.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 73.439999999999998 110.624 175.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.436 ' HE2' ' HB3' ' A' ' 64' ' ' LYS . 51.6 mtpt -63.82 -37.79 88.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.31 -0.404 . . . . 72.319999999999993 110.754 175.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.498 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -65.05 -30.49 71.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.983 -0.553 . . . . 52.119999999999997 110.755 177.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.3 t -66.51 -41.88 88.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.219 -0.446 . . . . 62.009999999999998 109.81 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -71.68 -28.32 63.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.792 -0.64 . . . . 70.109999999999999 110.53 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.6 tp -81.67 -25.72 35.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.691 -0.686 . . . . 51.119999999999997 110.644 -178.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.66 34.86 12.57 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.845 -0.693 . . . . 63.039999999999999 112.441 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.498 HG23 ' HB1' ' A' ' 65' ' ' ALA . 22.3 m -122.75 -177.35 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 110.093 -0.336 . . . . 73.439999999999998 110.093 176.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -152.8 172.99 15.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.678 0.275 . . . . 72.340000000000003 110.795 -176.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.621 HG22 ' HB2' ' A' ' 7' ' ' TYR . 38.1 pt -124.59 151.27 29.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.169 -0.468 . . . . 61.420000000000002 110.215 177.365 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.568 HH22 ' HG3' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -106.09 118.67 37.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.605 -0.271 . . . . 73.439999999999998 110.925 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 68.4 mt . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 109.628 -0.508 . . . . 64.540000000000006 109.628 175.93 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 121.061 0.458 . . . . 62.340000000000003 110.827 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.87 -45.07 0.66 Allowed Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.472 -1.051 . . . . 74.109999999999999 110.472 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.695 ' H ' HD12 ' A' ' 109' ' ' ILE . 4.1 mp -75.01 -39.9 44.66 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 N-CA-C 108.418 -0.956 . . . . 73.209999999999994 108.418 172.2 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -110.35 144.82 38.51 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.392 -0.966 . . . . 75.239999999999995 108.392 170.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.9 t -170.15 160.41 7.98 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.369 -0.604 . . . . 72.450000000000003 109.369 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -111.53 142.83 43.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.979 -0.555 . . . . 72.129999999999995 109.97 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -136.35 116.56 13.5 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.596 -0.52 . . . . 73.049999999999997 109.596 174.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -85.83 86.15 7.37 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.471 0.653 . . . . 74.519999999999996 110.235 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.2 p -114.24 135.11 55.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.066 -0.97 . . . . 74.230000000000004 109.541 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -127.66 92.28 3.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.431 0.634 . . . . 74.310000000000002 110.488 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -121.35 179.49 4.41 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.025 -0.989 . . . . 75.230000000000004 108.692 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -86.85 27.33 1.01 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.46 0.648 . . . . 65.209999999999994 110.26 -178.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.0 t -91.14 29.32 1.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.462 -0.79 . . . . 72.109999999999999 110.416 -177.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -67.65 109.72 3.06 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 116.104 -0.498 . . . . 54.140000000000001 112.114 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -78.45 -179.15 6.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.29 0.567 . . . . 63.0 111.086 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.545 ' H ' ' CD ' ' A' ' 122' ' ' GLU . 0.5 OUTLIER -80.55 -30.84 37.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.449 -0.796 . . . . 73.219999999999999 111.188 -175.653 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -65.41 -46.4 80.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.157 -0.474 . . . . 61.439999999999998 111.344 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.731 ' HB2' ' HB2' ' A' ' 12' ' ' ASP . 5.3 p-10 -76.31 -32.68 58.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.528 -0.306 . . . . 65.219999999999999 110.985 -176.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.16 -43.6 97.82 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.204 0.526 . . . . 73.209999999999994 110.701 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -62.07 -46.59 88.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.62 -0.718 . . . . 72.329999999999998 111.161 -178.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.86 HG22 ' HB1' ' A' ' 23' ' ' ALA . 5.5 p -77.16 -23.9 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.366 -0.379 . . . . 54.420000000000002 110.907 -177.339 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.583 ' HB2' ' HB3' ' A' ' 12' ' ' ASP . 11.5 t70 -65.3 -37.26 86.59 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.989 0.423 . . . . 73.409999999999997 110.278 176.282 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 67.1 mtm -63.23 -45.4 91.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 73.150000000000006 109.842 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -55.68 -49.94 71.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.409 -0.814 . . . . 73.230000000000004 111.325 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.583 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -66.87 -51.54 54.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.286 -0.415 . . . . 74.140000000000001 111.938 -176.066 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -66.97 -30.62 70.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.832 0.308 . . . . 72.540000000000006 111.832 -174.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.698 ' HA ' HG22 ' A' ' 137' ' ' ILE . 9.5 t -64.2 -30.94 71.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.059 0.457 . . . . 71.120000000000005 110.068 179.242 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -75.16 -7.21 53.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.975 -0.557 . . . . 74.430000000000007 111.35 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.593 HD21 ' HB2' ' A' ' 21' ' ' ALA . 3.3 mm? -96.45 -0.62 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.592 0.234 . . . . 62.030000000000001 110.745 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.24 25.0 35.01 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.13 -1.033 . . . . 74.319999999999993 112.684 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.698 HG22 ' HA ' ' A' ' 133' ' ' SER . 12.0 tt . . . . . 0 C--O 1.235 0.313 0 N-CA-C 110.352 -0.24 . . . . 72.129999999999995 110.352 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.6 ' HB3' ' HE1' ' A' ' 7' ' ' TYR . 56.8 m-20 . . . . . 0 N--CA 1.466 0.349 0 CA-C-O 121.092 0.472 . . . . 73.450000000000003 112.125 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.1 mtt-85 -104.81 -15.87 15.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.378 -0.374 . . . . 63.049999999999997 111.988 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' A' ' 29' ' ' ASP . 41.0 p -101.69 150.52 23.04 Favored 'General case' 0 C--N 1.311 -1.089 0 C-N-CA 120.817 -0.353 . . . . 74.450000000000003 110.486 178.565 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -60.49 153.26 23.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.174 0.511 . . . . 43.509999999999998 111.086 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.6 ' HE1' ' HB3' ' A' ' 3' ' ' ASP . 6.0 m-85 -106.4 127.27 53.15 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.203 -0.453 . . . . 75.409999999999997 111.175 -170.143 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.655 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 32.3 m-20 -114.57 90.51 3.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.294 -0.632 . . . . 62.210000000000001 109.294 175.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.418 ' O ' HG22 ' A' ' 74' ' ' ILE . 45.4 t -96.95 115.23 35.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.369 -0.378 . . . . 72.219999999999999 110.094 -176.7 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.655 ' CE2' ' HB3' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -143.11 114.99 8.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.5 0.666 . . . . 50.009999999999998 112.401 -179.251 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.779 HG22 ' HA ' ' A' ' 24' ' ' TYR . 14.9 p -86.51 93.21 9.11 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.259 -0.882 . . . . 64.519999999999996 109.4 170.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -130.19 112.81 13.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.372 -0.376 . . . . 74.219999999999999 110.587 -173.402 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.59 143.73 10.82 Favored Glycine 0 N--CA 1.452 -0.262 0 N-CA-C 111.608 -0.597 . . . . 64.140000000000001 111.608 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m -91.24 130.09 37.16 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.957 0.408 . . . . 63.399999999999999 111.875 -174.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -72.19 153.91 41.34 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.725 -0.843 . . . . 74.109999999999999 108.725 170.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.434 ' H ' HD13 ' A' ' 135' ' ' LEU . 7.9 p -154.81 154.44 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.536 -0.466 . . . . 72.439999999999998 111.29 -176.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.4 m120 63.3 27.46 15.43 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.374 0.67 . . . . 70.439999999999998 110.58 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.06 6.89 61.43 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.981 -0.628 . . . . 72.140000000000001 112.88 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.421 ' HB2' HD22 ' A' ' 135' ' ' LEU . 39.3 mt-30 -107.37 151.0 26.09 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.527 -0.396 . . . . 61.130000000000003 110.073 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -107.16 138.0 44.16 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.914 0.388 . . . . 61.329999999999998 110.776 -176.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.587 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -138.31 131.46 30.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.808 -0.633 . . . . 74.0 109.405 174.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 7.3 p-90 -90.08 128.76 36.38 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.949 -0.759 . . . . 64.510000000000005 108.949 177.752 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.868 ' HB1' HG22 ' A' ' 127' ' ' VAL . . . -118.8 136.18 54.14 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.586 -0.734 . . . . 73.010000000000005 109.837 -176.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.779 ' HA ' HG22 ' A' ' 11' ' ' THR . 31.5 p90 -138.66 138.07 37.45 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.605 0.717 . . . . 64.040000000000006 112.044 -177.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.51 ' HA ' ' O ' ' A' ' 34' ' ' TYR . . . -150.94 101.89 2.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.538 -1.21 . . . . 70.25 108.794 174.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -87.95 97.64 11.06 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.703 -0.48 . . . . 71.010000000000005 109.703 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 2.5 p -109.3 110.87 33.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.607 -0.724 . . . . 64.439999999999998 110.858 -178.008 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.551 ' HB2' ' CD1' ' A' ' 7' ' ' TYR . 16.4 ptmt -123.41 135.91 54.36 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.842 -0.799 . . . . 71.430000000000007 108.842 175.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.445 ' HA ' ' OG1' ' A' ' 5' ' ' THR . 36.8 t70 64.56 19.93 11.98 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.887 0.851 . . . . 73.209999999999994 109.992 -178.147 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.17 3.03 90.45 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.686 -0.688 . . . . 74.420000000000002 112.282 -177.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 27' ' ' VAL . 25.0 mmtp -105.05 125.35 50.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.881 0.372 . . . . 73.540000000000006 110.277 -177.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.447 HG22 ' HB ' ' A' ' 27' ' ' VAL . 26.1 t -90.38 107.82 18.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.878 -0.601 . . . . 62.409999999999997 109.957 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -76.11 -30.28 58.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.171 -0.468 . . . . 74.0 110.524 -176.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.51 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 2.8 m-85 -150.0 140.8 22.73 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.047 -0.524 . . . . 73.409999999999997 109.983 177.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' HB3' HG11 ' A' ' 32' ' ' VAL . 9.1 pt-20 -147.52 118.79 7.81 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 123.579 0.549 . . . . 73.010000000000005 110.562 178.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 24' ' ' TYR . 4.5 t70 -176.39 173.31 2.12 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.959 -0.564 . . . . 73.400000000000006 109.54 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.586 ' HB3' ' HD2' ' A' ' 130' ' ' LYS . . . -156.29 133.65 10.75 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.64 -0.504 . . . . 34.340000000000003 109.64 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -133.85 162.94 30.65 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.494 -0.558 . . . . 71.319999999999993 109.494 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.426 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 34.6 m -83.76 178.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.624 0.249 . . . . 62.219999999999999 111.258 -177.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.46 138.38 49.16 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.222 -0.514 . . . . 62.219999999999999 112.162 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HD3' ' NH1' ' A' ' 49' ' ' ARG . 17.8 mtpp -118.82 -178.75 3.62 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.038 0.447 . . . . 74.219999999999999 110.301 -175.755 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -110.69 151.14 42.65 Favored Pre-proline 0 C--N 1.318 -0.8 0 CA-C-N 115.666 -0.697 . . . . 72.209999999999994 110.529 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_exo -62.09 -28.29 79.88 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.055 2.503 . . . . 74.540000000000006 112.694 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.66 -36.32 76.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 43.039999999999999 111.585 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 49' ' ' ARG . . . -98.66 -1.26 41.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.428 -0.351 . . . . 72.409999999999997 110.976 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.5 ' HA ' ' HD3' ' A' ' 49' ' ' ARG . . . -83.16 -33.4 26.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.519 -0.31 . . . . 64.230000000000004 111.385 -177.07 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.8 m -61.08 -38.5 86.49 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.969 -0.559 . . . . 72.200000000000003 111.601 -178.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 72.0 mtm -139.61 92.71 2.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.006 0.431 . . . . 74.319999999999993 110.042 -177.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.5 ' HD3' ' HA ' ' A' ' 46' ' ' ALA . 36.9 ptt180 -142.95 161.14 38.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.601 -0.727 . . . . 71.129999999999995 110.794 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -68.24 -14.91 63.34 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.202 -0.454 . . . . 71.019999999999996 111.175 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.453 ' O ' HG12 ' A' ' 55' ' ' ILE . 97.4 t -52.78 -29.66 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 120.99 0.424 . . . . 62.509999999999998 110.546 174.405 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.57 -31.37 66.09 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.076 -0.511 . . . . 33.43 111.158 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.67 -36.2 49.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.025 -0.607 . . . . 73.109999999999999 112.062 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.33 -43.49 77.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.863 0.363 . . . . 74.340000000000003 110.874 -178.301 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 51' ' ' VAL . 17.4 pt -70.18 -29.85 41.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.407 -0.361 . . . . 65.540000000000006 110.965 177.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 59' ' ' LEU . . . -62.77 -26.79 68.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.089 0.471 . . . . 34.119999999999997 110.748 175.455 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.85 -25.14 61.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 63.039999999999999 110.646 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.31 -37.23 53.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.982 -0.554 . . . . 64.120000000000005 109.527 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.425 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 35.2 tp -53.7 -49.47 68.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.345 -0.843 . . . . 65.530000000000001 110.376 174.154 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -62.45 -38.09 88.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.943 -0.571 . . . . 73.430000000000007 110.83 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.75 -41.35 99.16 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.32 -0.4 . . . . 73.310000000000002 110.957 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.2 t -71.97 -44.34 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.979 -0.555 . . . . 72.400000000000006 110.435 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -60.01 -38.82 83.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.985 -0.552 . . . . 60.149999999999999 111.061 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.475 ' O ' HD13 ' A' ' 68' ' ' LEU . 86.0 tttt -67.33 -31.09 71.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.932 0.396 . . . . 74.299999999999997 110.382 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.76 -34.77 64.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.94 0.4 . . . . 73.219999999999999 110.456 175.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.432 ' HB2' HD13 ' A' ' 109' ' ' ILE . 47.1 t -56.66 -52.09 66.24 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.461 -0.79 . . . . 65.109999999999999 111.258 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -66.0 -35.12 79.71 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.254 -0.43 . . . . 65.400000000000006 111.506 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 64' ' ' LYS . 9.9 mp -69.4 -25.41 64.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.047 0.451 . . . . 73.019999999999996 110.592 175.432 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.56 10.74 58.89 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 121.024 -0.608 . . . . 62.229999999999997 112.616 177.005 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.5 m -107.83 171.23 2.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.635 0.255 . . . . 75.129999999999995 110.91 -176.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -124.65 173.7 8.35 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.114 -0.493 . . . . 73.329999999999998 109.763 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 pp -109.75 159.08 9.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 110.102 -0.333 . . . . 74.439999999999998 110.102 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -126.76 141.39 51.84 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.168 -0.308 . . . . 63.439999999999998 110.168 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.813 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.532 0 CA-C-N 116.229 -0.441 . . . . 75.400000000000006 111.447 -175.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 . . . . . 0 C--O 1.232 0.132 0 N-CA-C 109.414 -0.587 . . . . 71.230000000000004 109.414 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 122.96 -44.53 1.3 Allowed Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 110.838 -0.905 . . . . 52.0 110.838 -176.614 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.432 HD13 ' HB2' ' A' ' 66' ' ' SER . 40.9 mt -71.26 -39.02 72.28 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 N-CA-C 108.562 -0.903 . . . . 71.540000000000006 108.562 171.079 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -116.03 148.08 40.56 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 114.808 -1.087 . . . . 75.319999999999993 108.6 171.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.1 p -159.43 167.12 29.52 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 108.812 -0.81 . . . . 62.43 108.812 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.462 ' HA ' HG13 ' A' ' 74' ' ' ILE . 95.8 m-85 -129.96 136.32 49.32 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.147 0.498 . . . . 72.230000000000004 111.063 177.162 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.521 ' H ' HG13 ' A' ' 74' ' ' ILE . 43.1 mm-40 -130.78 153.4 49.09 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.027 -0.988 . . . . 73.409999999999997 108.689 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -97.75 77.39 2.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.378 0.609 . . . . 71.519999999999996 109.366 177.023 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.78 133.95 48.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.19 -0.913 . . . . 75.150000000000006 109.557 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -72.62 148.3 44.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.991 0.424 . . . . 71.140000000000001 111.303 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.04 -178.29 1.57 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.74 -0.664 . . . . 70.340000000000003 111.596 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -47.77 -64.83 0.68 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.7 -0.682 . . . . 71.349999999999994 110.178 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -149.62 14.2 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.503 -0.554 . . . . 74.319999999999993 109.503 172.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.05 115.72 1.9 Allowed Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.545 -0.752 . . . . 73.420000000000002 111.488 -174.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -81.64 163.94 22.19 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.284 -0.635 . . . . 62.119999999999997 109.284 -178.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -63.17 -28.08 69.81 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.047 0.451 . . . . 71.129999999999995 110.749 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -62.6 -35.73 80.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.905 -0.589 . . . . 72.200000000000003 110.18 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.65 -51.21 63.76 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.245 -0.434 . . . . 74.439999999999998 109.956 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.63 -33.47 72.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.794 -0.639 . . . . 71.120000000000005 111.092 -175.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -65.6 -56.46 12.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.39 -0.368 . . . . 73.109999999999999 111.017 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.868 HG22 ' HB1' ' A' ' 23' ' ' ALA . 9.6 p -69.21 -30.64 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 120.894 0.378 . . . . 71.329999999999998 110.583 -175.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 132' ' ' LYS . 11.2 t70 -62.71 -48.56 78.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 32.219999999999999 110.474 175.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 58.8 ttp -62.46 -38.78 91.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.034 -0.53 . . . . 53.049999999999997 110.428 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.586 ' HD2' ' HB3' ' A' ' 37' ' ' ALA . 10.1 tmtt? -60.78 -44.97 96.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.053 -0.521 . . . . 70.239999999999995 109.988 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.03 -51.35 68.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.026 -0.533 . . . . 71.140000000000001 111.649 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.53 ' HD3' HD12 ' A' ' 137' ' ' ILE . 11.1 ptpt -67.16 -24.53 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.549 -0.296 . . . . 73.310000000000002 111.619 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.59 ' HA ' HG22 ' A' ' 137' ' ' ILE . 64.9 m -63.17 -39.41 94.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.092 0.472 . . . . 72.150000000000006 110.245 176.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.46 -9.66 59.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 64.319999999999993 110.913 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.587 HD21 ' HB2' ' A' ' 21' ' ' ALA . 94.8 mt -99.29 5.82 46.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.075 -0.511 . . . . 70.25 110.975 -177.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.08 25.83 33.0 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 119.963 -1.113 . . . . 64.230000000000004 113.518 174.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.59 HG22 ' HA ' ' A' ' 133' ' ' SER . 13.8 tt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 117.142 0.471 . . . . 71.219999999999999 110.577 177.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 . . . . . 0 CA--C 1.517 -0.316 0 CA-C-O 121.427 0.632 . . . . 70.519999999999996 110.519 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -83.81 74.74 10.16 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.429 -0.805 . . . . 64.319999999999993 111.381 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.545 HG23 ' HD2' ' A' ' 7' ' ' TYR . 13.0 t -169.64 141.13 2.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.752 -0.658 . . . . 71.439999999999998 109.719 176.594 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -91.49 102.14 14.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.582 0.706 . . . . 74.519999999999996 110.048 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.545 ' HD2' HG23 ' A' ' 5' ' ' THR . 46.9 p90 -117.52 169.57 9.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.704 -0.68 . . . . 74.109999999999999 111.039 -175.522 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.445 ' O ' HG13 ' A' ' 27' ' ' VAL . 8.7 m-20 -100.66 132.54 46.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.704 -0.68 . . . . 70.340000000000003 109.696 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.3 t -96.74 111.22 26.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.275 -0.639 . . . . 71.329999999999998 109.275 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -86.34 145.27 26.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.901 0.381 . . . . 65.319999999999993 111.943 -172.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.673 ' HA ' HG11 ' A' ' 127' ' ' VAL . 8.8 t -175.06 175.13 2.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.639 -0.71 . . . . 74.540000000000006 110.274 176.146 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -142.11 87.08 2.01 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.412 -0.588 . . . . 70.140000000000001 109.412 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.33 61.51 4.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.931 -0.652 . . . . 62.299999999999997 112.423 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.3 m -112.6 117.06 31.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.956 0.408 . . . . 64.319999999999993 110.768 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -77.26 163.24 26.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.868 -0.605 . . . . 74.150000000000006 109.932 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -168.77 146.79 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.708 0.289 . . . . 73.409999999999997 110.906 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 64.03 27.97 14.27 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.839 0.828 . . . . 71.129999999999995 110.783 173.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.58 6.97 85.35 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.42 -0.809 . . . . 45.420000000000002 112.801 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -117.85 151.31 37.62 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.019 -0.363 . . . . 74.420000000000002 110.019 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -137.82 145.84 42.77 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.206 -0.452 . . . . 60.229999999999997 110.815 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.93 154.5 38.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.737 -0.665 . . . . 71.310000000000002 109.651 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 -113.06 130.6 56.11 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.293 0.568 . . . . 75.0 109.91 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -130.82 153.61 48.91 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.636 -0.711 . . . . 42.43 109.645 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -147.41 137.92 23.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.911 0.386 . . . . 71.049999999999997 110.729 176.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.27 107.83 13.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.48 -0.782 . . . . 60.329999999999998 109.374 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.585 ' HZ ' HD13 ' A' ' 55' ' ' ILE . 87.1 m-85 -83.75 96.99 8.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.405 0.621 . . . . 74.120000000000005 109.69 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.668 ' HB ' HG22 ' A' ' 32' ' ' VAL . 1.7 p -109.0 111.23 35.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.019 -0.992 . . . . 74.030000000000001 110.79 -178.078 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -118.62 148.98 42.14 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.24 -1.022 . . . . 71.530000000000001 108.24 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.689 ' HB3' ' HE2' ' A' ' 31' ' ' LYS . 32.0 t70 67.84 7.23 5.6 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.649 0.738 . . . . 64.140000000000001 111.156 173.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.4 7.99 56.6 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.716 -0.754 . . . . 73.450000000000003 113.028 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.689 ' HE2' ' HB3' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -142.21 150.0 40.41 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 117.101 0.451 . . . . 74.409999999999997 111.586 176.35 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.668 HG22 ' HB ' ' A' ' 27' ' ' VAL . 40.0 t -82.4 120.98 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.0 -0.545 . . . . 63.210000000000001 110.557 -174.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -85.65 -31.46 22.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.884 -0.598 . . . . 73.430000000000007 110.351 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -161.17 140.09 10.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.993 -0.549 . . . . 74.409999999999997 109.838 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.22 138.35 22.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.295 -0.412 . . . . 72.409999999999997 110.273 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.454 ' HB3' HG22 ' A' ' 51' ' ' VAL . 5.0 t70 -167.42 171.76 10.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.464 -0.334 . . . . 74.540000000000006 110.273 177.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.59 139.52 36.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.221 -0.445 . . . . 64.230000000000004 110.514 -176.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -136.85 173.38 11.76 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.376 -0.601 . . . . 74.109999999999999 109.376 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.3 m -106.75 163.35 5.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 O-C-N 122.277 -0.265 . . . . 61.329999999999998 111.161 -175.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.28 122.6 29.69 Favored Glycine 0 C--N 1.334 0.429 0 N-CA-C 110.587 -1.005 . . . . 74.450000000000003 110.587 173.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -139.24 -168.44 2.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.763 0.792 . . . . 73.329999999999998 112.393 -165.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -113.59 153.6 45.78 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 114.818 -1.083 . . . . 71.129999999999995 110.294 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.07 -19.0 64.82 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.868 2.379 . . . . 72.450000000000003 112.435 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.42 -13.86 62.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.945 0.402 . . . . 60.109999999999999 111.081 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.5 5.61 34.52 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.215 -0.448 . . . . 51.32 111.003 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.539 ' O ' ' HG3' ' A' ' 49' ' ' ARG . . . -65.09 -16.54 63.59 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.126 -0.488 . . . . 71.439999999999998 110.91 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.6 p -62.86 -39.41 94.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.225 0.536 . . . . 64.430000000000007 110.881 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.433 ' O ' ' HB2' ' A' ' 49' ' ' ARG . 69.7 mtm -92.15 -45.36 8.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.852 -0.613 . . . . 64.120000000000005 110.963 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 96.3 mtt180 71.16 -63.81 0.41 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.649 0.611 . . . . 73.150000000000006 112.649 178.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.4 t30 60.62 -88.51 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.598 0.759 . . . . 73.25 110.841 -172.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.454 HG22 ' HB3' ' A' ' 36' ' ' ASP . 21.3 t -76.92 -31.08 18.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.12 0.486 . . . . 42.030000000000001 110.882 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.499 ' HA ' ' HB ' ' A' ' 55' ' ' ILE . . . -62.0 -17.34 56.84 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.598 -0.728 . . . . 60.549999999999997 112.815 -171.204 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.73 -53.2 32.61 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.505 -0.855 . . . . 62.020000000000003 111.754 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -71.3 -29.1 64.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.719 0.295 . . . . 43.5 110.497 177.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.585 HD13 ' HZ ' ' A' ' 26' ' ' PHE . 34.7 mm -60.68 -41.22 87.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 116.199 -0.455 . . . . 65.230000000000004 110.541 176.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.34 91.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.036 0.446 . . . . 54.350000000000001 110.713 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.16 -31.59 70.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.028 -0.533 . . . . 75.140000000000001 110.689 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -68.69 -33.06 73.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.048 -0.524 . . . . 64.319999999999993 110.812 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.4 tp -63.2 -40.12 96.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.033 0.444 . . . . 75.310000000000002 110.435 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.93 ' HA ' ' HG2' ' A' ' 63' ' ' LYS . 41.0 m-85 -71.16 -26.14 62.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.076 -0.511 . . . . 74.140000000000001 110.848 176.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.14 -41.95 80.87 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.663 -0.495 . . . . 71.140000000000001 109.663 173.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 58' ' ' ALA . 93.3 t -61.86 -50.38 80.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.704 -0.68 . . . . 73.530000000000001 110.807 176.222 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.93 ' HG2' ' HA ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -65.03 -28.45 69.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 71.310000000000002 110.74 -179.184 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 60' ' ' TYR . 44.8 tptt -74.44 -46.08 42.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.441 -0.345 . . . . 51.219999999999999 110.172 178.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.78 78.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.788 -0.642 . . . . 52.439999999999998 111.225 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.7 t -60.05 -40.54 89.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.339 -0.391 . . . . 52.240000000000002 110.358 178.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -73.88 -34.3 64.39 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.953 0.406 . . . . 60.409999999999997 110.741 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.5 tp -76.45 -25.07 53.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.147 -0.479 . . . . 75.010000000000005 111.156 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.84 14.87 54.36 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.88 -0.676 . . . . 74.340000000000003 112.017 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.4 m -112.43 170.16 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.675 0.274 . . . . 73.109999999999999 110.506 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -146.86 165.58 29.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.42 -0.355 . . . . 71.319999999999993 110.292 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 110' ' ' TYR . 2.5 pp -129.01 172.58 15.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.442 -0.577 . . . . 74.310000000000002 109.442 176.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 8' ' ' ASP . 72.5 mtt180 -123.86 132.11 53.7 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.892 -0.323 . . . . 72.310000000000002 110.146 -177.744 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.5 HG23 ' HB3' ' A' ' 112' ' ' PHE . 11.9 tt . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 121.632 0.73 . . . . 74.299999999999997 109.419 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 . . . . . 0 N--CA 1.448 -0.529 0 N-CA-C 108.934 -0.765 . . . . 55.240000000000002 108.934 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 158.47 -30.18 0.46 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 110.758 -0.937 . . . . 72.120000000000005 110.758 -173.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.416 HD12 ' N ' ' A' ' 109' ' ' ILE . 3.6 mp -73.19 -27.02 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 108.539 -0.911 . . . . 64.430000000000007 108.539 170.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.44 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 29.1 p90 -149.3 146.14 27.4 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.363 -0.835 . . . . 74.209999999999994 109.667 174.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.5 t -142.44 162.41 35.55 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.818 -0.808 . . . . 73.140000000000001 108.818 174.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.5 ' HB3' HG23 ' A' ' 74' ' ' ILE . 41.5 p90 -113.06 138.41 49.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.949 0.404 . . . . 74.209999999999994 110.628 -178.154 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.8 150.92 51.44 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.873 -0.603 . . . . 72.030000000000001 109.554 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -81.12 113.44 19.29 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 121.562 0.696 . . . . 63.310000000000002 111.482 -174.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.6 p -100.08 153.76 4.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.179 -0.918 . . . . 71.120000000000005 109.682 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.656 ' HD2' ' H ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -100.18 155.4 17.77 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.451 -0.574 . . . . 72.299999999999997 109.451 175.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -132.36 110.94 10.92 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.735 0.302 . . . . 63.210000000000001 110.756 -178.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -64.66 -39.32 93.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.122 -0.49 . . . . 72.010000000000005 109.757 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 p -146.57 -31.29 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.78 -0.646 . . . . 62.25 110.794 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 106.49 127.92 5.93 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.378 -0.689 . . . . 65.400000000000006 111.378 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -75.68 161.53 29.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.856 0.36 . . . . 73.150000000000006 111.105 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -58.45 -32.22 68.52 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.947 -0.57 . . . . 74.530000000000001 110.706 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -65.84 -33.48 75.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.637 -0.71 . . . . 74.319999999999993 110.734 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -74.12 -40.53 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.798 -0.445 . . . . 52.509999999999998 109.798 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.57 -34.38 75.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 71.099999999999994 111.367 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.26 -51.33 69.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 74.450000000000003 110.604 -178.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.673 HG11 ' HA ' ' A' ' 11' ' ' THR . 9.2 p -75.75 -31.08 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 71.140000000000001 110.427 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -55.49 -52.98 61.84 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.674 -0.693 . . . . 74.099999999999994 110.331 175.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 41.1 ttp -59.61 -44.82 93.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.345 -0.843 . . . . 64.310000000000002 111.096 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -53.71 -53.04 57.72 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.397 0.518 . . . . 73.239999999999995 112.397 -174.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.2 -46.24 61.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.11 0.481 . . . . 71.150000000000006 111.771 -175.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -76.1 -27.41 57.12 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 112.507 0.558 . . . . 75.420000000000002 112.507 -171.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.1 p -73.65 -31.11 63.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.135 0.493 . . . . 62.109999999999999 109.991 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.44 -15.03 61.35 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.749 -0.659 . . . . 74.200000000000003 110.921 178.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.1 mt -95.1 -3.61 47.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 70.349999999999994 110.121 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 83.43 24.77 49.83 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.512 -0.852 . . . . 54.43 112.668 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 74.7 mt . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 120.878 0.37 . . . . 53.340000000000003 110.911 -179.332 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 . . . . . 0 CA--C 1.52 -0.203 0 CA-C-O 121.444 0.64 . . . . 72.510000000000005 109.443 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -81.85 -14.52 56.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.036 -0.983 . . . . 72.140000000000001 111.179 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 p -109.7 96.75 6.47 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.733 -0.667 . . . . 74.409999999999997 111.68 -177.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 62.43 107.82 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.251 -0.886 . . . . 74.430000000000007 112.471 176.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.491 ' HE1' ' HE2' ' A' ' 28' ' ' LYS . 50.7 m-85 -75.52 130.95 39.69 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.624 -0.509 . . . . 72.430000000000007 109.624 173.417 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -104.3 149.78 25.03 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.015 -0.539 . . . . 75.430000000000007 110.651 -172.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.636 ' HB ' HD11 ' A' ' 74' ' ' ILE . 59.7 t -126.8 111.87 27.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.368 -0.378 . . . . 74.400000000000006 110.027 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -106.91 110.45 22.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.97 0.414 . . . . 73.140000000000001 110.117 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.586 HG23 HG11 ' A' ' 127' ' ' VAL . 44.7 m -168.15 127.61 1.25 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.419 -0.81 . . . . 72.25 109.155 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -95.15 -78.71 0.44 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.529 -0.915 . . . . 65.239999999999995 108.529 170.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.62 130.82 0.23 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.844 -0.694 . . . . 72.340000000000003 113.037 173.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.5 m -144.84 112.66 6.31 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 122.043 -0.681 . . . . 75.209999999999994 111.8 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.421 ' HB2' ' HA ' ' A' ' 20' ' ' TYR . 30.3 p90 -75.3 140.02 42.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.351 -0.981 . . . . 61.509999999999998 108.351 170.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p -154.66 155.55 5.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.83 -0.348 . . . . 75.310000000000002 110.786 -171.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.3 m120 64.05 28.3 14.27 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.795 -0.639 . . . . 74.420000000000002 110.838 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.12 -16.66 36.95 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.718 -0.674 . . . . 63.43 112.497 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.767 ' HB3' HD22 ' A' ' 135' ' ' LEU . 17.6 mm-40 -80.48 126.44 31.21 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.039 -0.356 . . . . 75.319999999999993 110.039 -179.024 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.421 ' HA ' ' HB2' ' A' ' 15' ' ' TYR . 41.3 p90 -120.96 153.44 37.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.399 -0.364 . . . . 63.329999999999998 110.169 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.25 166.86 32.24 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.212 -0.449 . . . . 75.209999999999994 110.24 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.541 ' O ' ' HA ' ' A' ' 37' ' ' ALA . 61.4 p-90 -111.17 130.37 55.66 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.435 -0.58 . . . . 74.450000000000003 109.435 173.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.622 ' HB1' HG22 ' A' ' 127' ' ' VAL . . . -132.76 136.43 46.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.824 -0.626 . . . . 50.399999999999999 110.286 -176.209 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -142.21 138.63 31.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.294 -0.412 . . . . 75.219999999999999 110.746 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.32 105.25 7.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.781 -0.645 . . . . 73.400000000000006 109.499 172.497 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -87.68 110.96 20.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.154 -0.476 . . . . 74.319999999999993 110.545 -175.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.513 ' HB ' HG22 ' A' ' 32' ' ' VAL . 4.3 p -116.78 123.56 71.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.622 0.725 . . . . 74.219999999999999 111.162 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.491 ' HE2' ' HE1' ' A' ' 7' ' ' TYR . 15.5 ptpt -127.93 132.72 49.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.772 -0.649 . . . . 72.409999999999997 109.502 176.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.3 t70 65.66 11.85 7.82 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.458 0.647 . . . . 65.219999999999999 110.287 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.49 2.25 63.64 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.875 -0.602 . . . . 74.010000000000005 112.124 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.11 141.23 47.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.03 0.443 . . . . 62.149999999999999 110.28 -178.107 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.513 HG22 ' HB ' ' A' ' 27' ' ' VAL . 76.8 t -108.15 120.96 60.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.961 -0.563 . . . . 32.310000000000002 110.028 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -110.01 -18.47 13.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.318 -0.401 . . . . 73.340000000000003 110.874 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -137.69 138.7 39.65 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.034 -0.358 . . . . 72.109999999999999 110.034 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.14 148.28 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.342 0.401 . . . . 64.120000000000005 110.445 177.403 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -175.81 171.53 2.65 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 109.861 -0.422 . . . . 71.409999999999997 109.861 173.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.541 ' HA ' ' O ' ' A' ' 22' ' ' TRP . . . -157.16 109.56 2.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.583 -0.735 . . . . 64.420000000000002 109.299 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -132.14 173.51 11.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.738 0.304 . . . . 72.340000000000003 110.385 -174.833 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.7 m -103.31 130.48 53.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.084 0.468 . . . . 71.25 110.833 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.51 111.78 0.36 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.739 -0.743 . . . . 63.25 112.562 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -108.66 101.66 10.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.094 0.473 . . . . 55.509999999999998 109.958 178.141 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -147.53 144.42 19.37 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.67 -0.695 . . . . 74.109999999999999 109.679 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -49.62 -54.13 5.95 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.271 2.647 . . . . 64.129999999999995 113.368 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.16 -27.87 67.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.94 0.4 . . . . 72.310000000000002 111.445 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' ' 49' ' ' ARG . . . -74.01 -32.71 63.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.074 0.464 . . . . 54.210000000000001 110.402 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.83 -16.44 61.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 43.049999999999997 111.348 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 m -72.24 -37.09 69.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.896 0.379 . . . . 63.329999999999998 111.569 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 68.5 mtm -76.01 -47.23 25.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.989 0.423 . . . . 53.25 110.982 -176.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 4.7 ptp85 -73.75 136.69 43.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.189 -0.46 . . . . 72.019999999999996 110.21 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -80.19 19.51 0.74 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.983 0.421 . . . . 74.200000000000003 111.773 -174.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.8 t -68.63 -27.99 38.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.425 0.631 . . . . 70.329999999999998 109.387 171.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.524 ' HA ' HG12 ' A' ' 55' ' ' ILE . . . -53.3 -29.88 35.83 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 114.92 -1.036 . . . . 73.019999999999996 112.29 -177.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.47 -47.31 85.52 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.54 -0.838 . . . . 73.439999999999998 112.146 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.59 -46.14 73.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.702 0.287 . . . . 55.399999999999999 111.322 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.524 HG12 ' HA ' ' A' ' 52' ' ' ALA . 40.0 pt -66.81 -32.56 58.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 121.028 -0.269 . . . . 43.350000000000001 111.497 -177.135 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.87 93.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.881 0.372 . . . . 52.0 110.719 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.8 -33.74 68.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 73.140000000000001 110.644 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.5 -27.46 61.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 74.109999999999999 110.569 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.7 tp -65.46 -31.47 72.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.778 -0.646 . . . . 60.43 110.718 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -66.45 -26.82 67.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 70.230000000000004 110.58 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.82 -36.59 82.71 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.822 -0.436 . . . . 61.219999999999999 109.822 175.604 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.484 HG13 HG12 ' A' ' 109' ' ' ILE . 93.0 t -65.33 -37.77 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.594 -0.73 . . . . 74.25 109.949 175.268 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.452 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 11.9 tmtt? -66.31 -36.79 83.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.361 -0.836 . . . . 75.400000000000006 110.095 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -75.9 -47.99 23.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.546 -0.297 . . . . 73.310000000000002 111.605 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.401 ' HB3' HG13 ' A' ' 109' ' ' ILE . . . -58.27 -32.47 68.42 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.282 0.475 . . . . 75.319999999999993 112.282 -173.69 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 p -65.43 -27.98 68.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.69 0.281 . . . . 64.319999999999993 111.208 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -83.12 -33.36 26.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.437 -0.347 . . . . 62.030000000000001 110.875 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.04 -24.91 55.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 74.519999999999996 110.536 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.84 1.72 61.53 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.89 -0.671 . . . . 72.0 112.37 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.1 m -97.08 145.28 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.058 0.456 . . . . 62.130000000000003 111.067 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.765 ' HA ' HG23 ' A' ' 109' ' ' ILE . 9.1 mptt -132.09 -177.09 4.29 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.96 -0.756 . . . . 64.030000000000001 108.96 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.779 HG12 ' HA ' ' A' ' 110' ' ' TYR . 1.7 pp -108.58 152.36 10.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.207 -1.034 . . . . 65.120000000000005 108.207 171.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -135.1 101.52 4.9 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.302 0.572 . . . . 63.100000000000001 111.85 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.636 HD11 ' HB ' ' A' ' 9' ' ' VAL . 47.5 mm . . . . . 0 C--N 1.324 -0.512 0 N-CA-C 108.669 -0.863 . . . . 71.150000000000006 108.669 170.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 . . . . . 0 N--CA 1.448 -0.529 0 CA-C-O 121.312 0.577 . . . . 71.409999999999997 110.055 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.31 100.1 0.77 Allowed Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.186 -1.166 . . . . 54.520000000000003 110.186 -172.335 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.765 HG23 ' HA ' ' A' ' 71' ' ' LYS . 46.2 mm -60.6 -31.52 49.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 112.45 0.537 . . . . 74.299999999999997 112.45 -171.019 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.779 ' HA ' HG12 ' A' ' 72' ' ' ILE . 5.3 p90 -116.27 147.89 41.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.163 0.506 . . . . 73.349999999999994 111.363 -176.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.4 t -157.27 169.07 25.58 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.147 -1.057 . . . . 70.519999999999996 108.147 175.418 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -156.01 137.1 13.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.019 0.438 . . . . 74.030000000000001 110.721 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -123.67 134.55 53.72 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.495 -0.775 . . . . 73.310000000000002 109.476 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.7 mppt? -85.23 106.78 16.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.172 0.51 . . . . 74.140000000000001 111.165 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 34.9 m -122.84 165.94 18.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.157 -0.929 . . . . 65.439999999999998 109.062 176.182 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -43.53 137.3 2.92 Favored 'General case' 0 C--O 1.238 0.481 0 O-C-N 123.463 0.477 . . . . 72.239999999999995 111.109 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.45 142.45 5.76 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.585 -0.734 . . . . 64.209999999999994 112.517 -171.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -90.83 -54.71 3.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.346 -0.843 . . . . 75.439999999999998 110.604 -176.018 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.9 m -149.07 -31.75 0.23 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.639 0.607 . . . . 75.230000000000004 112.639 -175.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 78.74 62.1 2.31 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.228 -0.986 . . . . 73.140000000000001 111.625 -175.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -79.8 161.82 25.46 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.703 -0.48 . . . . 74.140000000000001 109.703 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -60.71 -31.31 70.61 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.223 0.453 . . . . 71.200000000000003 112.223 -176.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -74.9 -32.4 61.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.529 0.68 . . . . 65.510000000000005 109.723 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -71.84 -47.24 54.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.932 -1.031 . . . . 72.310000000000002 110.566 -176.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -62.38 -33.77 75.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 64.400000000000006 110.789 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -61.35 -44.54 97.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 75.5 111.133 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.622 HG22 ' HB1' ' A' ' 23' ' ' ALA . 14.2 p -77.3 -36.2 23.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 116.552 -0.294 . . . . 72.239999999999995 111.026 -177.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.497 ' CG ' ' HZ3' ' A' ' 132' ' ' LYS . 30.9 t70 -72.02 -33.15 67.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.966 0.412 . . . . 63.25 110.952 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 54.2 ttp -61.46 -36.36 80.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.139 0.495 . . . . 73.209999999999994 110.195 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.476 ' HD3' ' O ' ' A' ' 130' ' ' LYS . 2.2 tmtp? -69.11 -42.21 76.4 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.046 -0.724 . . . . 71.430000000000007 109.046 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.536 ' O ' ' HG ' ' A' ' 135' ' ' LEU . . . -58.77 -49.78 76.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.024 -0.535 . . . . 44.130000000000003 111.088 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.497 ' HZ3' ' CG ' ' A' ' 128' ' ' ASP . 14.2 mptt -53.72 -47.41 70.59 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.801 0.334 . . . . 73.409999999999997 111.016 177.007 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.0 m -62.44 -39.35 93.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.962 -0.563 . . . . 70.430000000000007 111.07 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.0 -18.97 61.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.364 -0.38 . . . . 54.210000000000001 111.183 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.767 HD22 ' HB3' ' A' ' 19' ' ' GLN . 98.1 mt -91.93 -7.58 48.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.361 -0.381 . . . . 70.140000000000001 110.448 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.74 23.64 41.63 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.556 -0.83 . . . . 61.539999999999999 112.093 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 58.8 mt . . . . . 0 C--N 1.324 -0.537 0 N-CA-C 109.596 -0.52 . . . . 72.109999999999999 109.596 179.083 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.403 ' HB2' ' HB2' ' A' ' 28' ' ' LYS . 8.1 p-10 . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 121.163 0.506 . . . . 64.120000000000005 109.674 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -84.55 -2.23 57.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.543 -0.753 . . . . 75.219999999999999 112.753 -170.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 p -115.68 95.84 5.33 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.112 0.782 . . . . 63.020000000000003 113.112 -175.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 71' ' ' LYS . 18.9 tt0 65.24 125.79 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 114.977 -1.011 . . . . 72.030000000000001 112.661 170.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.487 ' HB2' HG22 ' A' ' 72' ' ' ILE . 91.1 m-85 -109.78 128.38 55.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.141 -0.481 . . . . 74.140000000000001 111.703 -176.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -103.87 108.68 20.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.756 -0.831 . . . . 75.019999999999996 108.756 171.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.483 ' O ' ' HD3' ' A' ' 73' ' ' ARG . 21.9 t -96.15 136.74 26.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.098 -0.501 . . . . 71.439999999999998 110.998 -168.222 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -93.64 172.57 8.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.822 0.344 . . . . 73.329999999999998 111.595 -177.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.3 m 67.71 103.71 0.05 OUTLIER 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.092 -0.958 . . . . 75.120000000000005 111.638 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.9 -17.34 63.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.247 0.546 . . . . 74.319999999999993 110.566 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.24 36.49 34.73 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 110.732 -0.947 . . . . 65.420000000000002 110.732 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.5 p -98.41 151.82 20.15 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.992 -0.604 . . . . 70.409999999999997 111.351 -176.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.461 ' HB3' ' HD1' ' A' ' 20' ' ' TYR . 43.6 p90 -64.25 141.07 58.9 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.448 -0.575 . . . . 75.219999999999999 109.448 174.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -120.56 120.77 63.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.259 0.552 . . . . 64.430000000000007 111.08 -175.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.2 m120 60.76 27.63 17.39 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.59 -0.732 . . . . 45.43 111.935 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.06 -14.17 61.53 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.469 -0.872 . . . . 73.430000000000007 113.379 175.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -106.13 127.05 52.93 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.395 -0.473 . . . . 73.25 110.14 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.461 ' HD1' ' HB3' ' A' ' 15' ' ' TYR . 92.2 t80 -98.31 135.29 40.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.993 -0.549 . . . . 60.399999999999999 111.458 -176.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.11 153.53 35.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.046 -0.979 . . . . 75.450000000000003 108.436 174.597 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -95.45 130.71 42.17 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.446 -0.502 . . . . 74.120000000000005 109.746 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.692 ' HB1' HG12 ' A' ' 127' ' ' VAL . . . -142.66 149.82 39.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.775 -0.648 . . . . 63.43 110.966 -172.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -145.62 142.74 29.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.375 -0.375 . . . . 55.399999999999999 110.399 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.883 ' HB2' HG21 ' A' ' 127' ' ' VAL . . . -135.74 102.95 5.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.39 -0.368 . . . . 71.400000000000006 110.784 176.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -91.55 116.61 29.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.703 0.763 . . . . 75.329999999999998 110.689 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.601 ' HA ' ' HA ' ' A' ' 32' ' ' VAL . 1.8 p -118.09 142.87 30.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 114.891 -1.05 . . . . 75.430000000000007 111.057 -174.066 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 3' ' ' ASP . 0.2 OUTLIER -137.95 135.86 36.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.955 -0.566 . . . . 72.310000000000002 109.879 177.556 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.5 t70 61.88 15.92 7.56 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.7 0.762 . . . . 71.140000000000001 111.198 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.94 -9.94 63.91 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.746 -0.74 . . . . 64.129999999999995 112.498 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -109.85 131.47 55.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.96 0.409 . . . . 72.549999999999997 110.496 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.601 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 7.1 p -78.81 132.65 31.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.982 -0.554 . . . . 65.430000000000007 109.593 177.298 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.466 ' HB3' ' OE1' ' A' ' 54' ' ' GLU . 29.1 t-80 -77.11 -59.63 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.816 -0.439 . . . . 63.32 109.816 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -142.5 143.39 32.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.027 -0.533 . . . . 75.340000000000003 110.561 174.031 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.772 ' HB2' HG22 ' A' ' 127' ' ' VAL . 0.0 OUTLIER -137.92 129.76 28.49 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.568 -0.742 . . . . 70.239999999999995 109.762 -178.626 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.75 ' HB3' HG22 ' A' ' 51' ' ' VAL . 2.0 t70 -157.83 171.26 20.6 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.131 -0.322 . . . . 71.540000000000006 110.131 -177.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -155.87 150.51 26.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.663 0.268 . . . . 72.420000000000002 110.985 -175.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -148.31 176.23 10.43 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.777 -0.453 . . . . 73.040000000000006 109.777 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.8 t -117.94 146.34 22.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.143 0.497 . . . . 62.310000000000002 111.133 -174.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.27 115.43 0.37 Allowed Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.647 -0.706 . . . . 72.040000000000006 113.244 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -87.51 94.06 9.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.957 0.408 . . . . 61.43 110.631 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -125.59 151.29 70.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.978 -0.555 . . . . 73.409999999999997 109.924 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.36 -34.93 97.66 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.539 2.16 . . . . 64.400000000000006 111.89 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.54 -9.52 58.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.92 -0.582 . . . . 35.420000000000002 110.954 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.29 6.56 46.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.823 -0.626 . . . . 63.140000000000001 111.0 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.32 -45.5 45.47 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.086 0.469 . . . . 73.319999999999993 111.398 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.648 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 29.4 m -95.43 -60.99 1.54 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.467 -0.568 . . . . 71.319999999999993 109.467 172.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.546 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 2.0 tpt 66.86 -58.84 0.39 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.412 1.085 . . . . 72.549999999999997 112.104 173.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -126.51 -71.42 0.69 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.538 -0.301 . . . . 73.549999999999997 110.387 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -158.13 -9.13 0.08 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.779 0.323 . . . . 74.420000000000002 111.808 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.75 HG22 ' HB3' ' A' ' 36' ' ' ASP . 16.1 t -57.24 -29.55 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 N-CA-C 112.807 0.669 . . . . 63.530000000000001 112.807 -172.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.648 ' HB2' ' HA ' ' A' ' 47' ' ' THR . . . -64.92 -16.26 63.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.118 0.785 . . . . 52.219999999999999 113.118 -174.418 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.19 -53.28 46.98 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.754 -0.736 . . . . 61.119999999999997 112.432 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.466 ' OE1' ' HB3' ' A' ' 33' ' ' HIS . 31.6 mm-40 -64.97 -31.76 73.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.779 0.323 . . . . 62.409999999999997 110.777 178.228 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.4 mm -58.46 -45.66 89.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 61.119999999999997 110.325 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.438 ' O ' ' HD1' ' A' ' 60' ' ' TYR . . . -66.44 -37.55 85.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.989 -0.55 . . . . 50.32 110.874 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.8 88.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 73.349999999999994 110.91 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.44 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -70.46 -39.46 74.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.981 -0.554 . . . . 51.439999999999998 111.311 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.0 tp -54.45 -56.63 16.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.418 . . . . 50.340000000000003 111.795 -177.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.438 ' HD1' ' O ' ' A' ' 56' ' ' ALA . 91.8 m-85 -67.13 -29.28 68.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.615 -0.266 . . . . 73.099999999999994 111.05 -177.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.24 76.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.373 -0.376 . . . . 72.430000000000007 110.404 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 58' ' ' ALA . 92.9 t -61.56 -38.2 79.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.396 -0.365 . . . . 73.519999999999996 110.723 178.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -57.36 -43.24 83.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 61.149999999999999 111.331 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -77.01 -34.21 57.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.738 0.304 . . . . 70.409999999999997 111.452 176.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.29 -27.23 54.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.791 -0.64 . . . . 32.219999999999999 112.216 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.9 p -50.32 -44.09 54.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.394 -0.366 . . . . 62.439999999999998 111.823 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -73.7 -32.64 64.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.37 -0.377 . . . . 55.509999999999998 111.585 -177.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 mp -78.87 -25.86 43.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.978 0.418 . . . . 74.319999999999993 110.74 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.82 44.46 56.19 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.788 -0.72 . . . . 53.329999999999998 112.485 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.9 m -101.33 163.72 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 110.317 -0.253 . . . . 74.209999999999994 110.317 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.45 ' HE3' ' HB3' ' A' ' 71' ' ' LYS . 0.6 OUTLIER -116.81 133.89 55.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.749 0.309 . . . . 74.439999999999998 110.729 -176.484 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.487 HG22 ' HB2' ' A' ' 7' ' ' TYR . 1.4 pp -119.58 151.32 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.799 -0.445 . . . . 63.32 109.799 173.244 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.483 ' HD3' ' O ' ' A' ' 9' ' ' VAL . 61.6 ttt180 -85.13 120.51 26.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.501 -0.318 . . . . 74.5 111.289 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.465 HG22 ' C ' ' A' ' 111' ' ' SER . 10.8 tp . . . . . 0 C--N 1.325 -0.476 0 N-CA-C 107.942 -1.133 . . . . 65.219999999999999 107.942 168.541 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.304 -0.628 . . . . 63.240000000000002 109.304 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 160.71 -28.08 0.31 Allowed Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.079 -0.808 . . . . 63.219999999999999 111.079 -175.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.6 mt -60.96 -39.33 81.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 109.366 -0.605 . . . . 73.409999999999997 109.366 172.532 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -110.34 143.7 40.18 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.16 -0.681 . . . . 73.310000000000002 109.16 172.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.465 ' C ' HG22 ' A' ' 74' ' ' ILE . 63.1 m -162.24 163.48 28.19 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 107.591 -1.262 . . . . 75.140000000000001 107.591 176.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -101.08 136.05 41.55 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.552 -0.859 . . . . 71.120000000000005 109.418 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -107.17 103.77 13.24 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.218 -0.901 . . . . 73.409999999999997 108.816 -175.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.414 ' H ' ' HG2' ' A' ' 114' ' ' LYS . 9.0 pttt -77.61 78.49 4.12 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.609 0.719 . . . . 74.019999999999996 111.638 -172.703 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.9 m -119.43 143.13 31.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.08 -0.963 . . . . 71.099999999999994 109.073 175.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -81.11 89.13 5.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.941 0.877 . . . . 60.119999999999997 110.869 -176.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.64 99.34 8.1 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.119 -1.4 . . . . 74.239999999999995 111.149 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -142.79 41.86 1.57 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.462 -0.79 . . . . 64.549999999999997 109.323 174.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.4 m -73.18 -26.91 61.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.232 -0.895 . . . . 42.340000000000003 111.606 -176.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 96.7 18.38 30.28 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.611 -0.804 . . . . 34.009999999999998 111.241 -175.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -63.69 115.52 4.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.251 -0.475 . . . . 73.0 110.236 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.8 -29.75 70.95 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.17 0.433 . . . . 71.450000000000003 112.17 -174.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.636 ' HA ' ' HD2' ' A' ' 126' ' ' TYR . 72.5 m-85 -66.42 -38.68 88.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.211 0.529 . . . . 64.200000000000003 109.857 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -72.49 -40.2 67.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.58 -0.736 . . . . 71.310000000000002 109.808 174.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.9 -26.26 64.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.091 -0.959 . . . . 53.439999999999998 111.587 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.636 ' HD2' ' HA ' ' A' ' 123' ' ' PHE . 8.2 m-85 -49.96 -52.84 30.44 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.261 0.553 . . . . 73.409999999999997 110.703 176.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.883 HG21 ' HB2' ' A' ' 25' ' ' ALA . 2.2 t -75.23 -33.13 27.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.209 -0.905 . . . . 70.219999999999999 111.231 -171.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.68 -43.0 94.19 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.139 0.495 . . . . 75.510000000000005 109.789 175.551 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 59.7 ttp -70.43 -37.27 74.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.686 -0.688 . . . . 52.100000000000001 110.883 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 126' ' ' TYR . 87.4 mttt -64.82 -31.47 72.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.515 -0.311 . . . . 74.239999999999995 111.193 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.92 -38.16 84.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.995 0.426 . . . . 65.340000000000003 110.183 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -65.75 -48.18 72.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.817 -0.629 . . . . 71.430000000000007 110.619 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.4 p -64.85 -28.99 69.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.164 -0.471 . . . . 65.409999999999997 111.193 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.0 -23.29 66.54 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.337 -0.392 . . . . 73.099999999999994 111.838 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' A' ' 135' ' ' LEU . 3.7 mm? -90.25 -1.47 57.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.233 0.539 . . . . 74.120000000000005 110.171 177.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.9 23.15 42.81 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.737 -0.744 . . . . 73.400000000000006 113.087 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.0 mm . . . . . 0 C--N 1.327 -0.38 0 N-CA-C 109.752 -0.462 . . . . 64.140000000000001 109.752 176.441 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 121.708 0.766 . . . . 63.229999999999997 109.259 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -100.47 1.95 41.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.757 -1.11 . . . . 73.540000000000006 111.252 -173.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 6.0 p -122.94 113.4 19.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.147 -0.478 . . . . 75.299999999999997 110.502 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 5' ' ' THR . 0.5 OUTLIER 44.42 -163.96 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.03 0.932 . . . . 62.229999999999997 112.393 -176.825 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -138.6 157.41 46.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.273 -0.421 . . . . 73.25 110.191 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.499 ' HB2' HG13 ' A' ' 27' ' ' VAL . 10.4 m-20 -82.96 131.27 35.19 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.534 -0.543 . . . . 71.129999999999995 109.534 175.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.8 t -126.14 126.02 68.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.98 -0.378 . . . . 63.25 109.98 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.612 ' CE2' HG11 ' A' ' 27' ' ' VAL . 21.9 m-85 -110.68 -174.32 2.45 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.582 -0.525 . . . . 71.230000000000004 109.582 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.6 m 74.42 86.8 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.887 0.742 . . . . 75.219999999999999 110.293 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.609 ' CG ' ' HA ' ' A' ' 117' ' ' ALA . 0.6 OUTLIER -57.49 -38.49 74.66 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.506 -0.77 . . . . 74.310000000000002 109.498 177.031 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.81 112.15 0.4 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.987 -1.006 . . . . 70.150000000000006 111.065 -177.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.2 m -77.34 84.04 3.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.905 0.383 . . . . 71.310000000000002 111.988 -174.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -145.68 145.86 31.06 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.962 -0.385 . . . . 62.219999999999999 109.962 171.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.4 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 10.9 p -164.77 140.7 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.98 -0.555 . . . . 72.25 109.999 -177.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.5 m120 61.64 28.09 17.35 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.95 0.352 . . . . 74.310000000000002 111.95 178.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.51 -0.44 89.26 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.777 -0.725 . . . . 62.299999999999997 113.424 177.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.738 ' HG3' HD13 ' A' ' 135' ' ' LEU . 26.5 pt20 -118.06 149.67 40.6 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.395 -0.473 . . . . 74.319999999999993 109.968 178.202 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -139.06 159.88 41.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.131 0.491 . . . . 74.340000000000003 111.472 -174.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.456 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -139.25 169.67 17.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.116 -0.947 . . . . 54.109999999999999 108.967 176.254 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.437 ' CE2' ' HB3' ' A' ' 38' ' ' ASP . 42.1 p-90 -104.62 130.49 52.62 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.144 -0.622 . . . . 65.549999999999997 109.344 176.399 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.71 160.59 36.58 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.68 -0.691 . . . . 54.030000000000001 109.442 -177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.49 ' HE2' ' HB3' ' A' ' 34' ' ' TYR . 55.4 p90 -163.64 165.3 23.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.991 0.424 . . . . 65.409999999999997 110.959 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.01 102.82 3.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.542 -0.753 . . . . 70.439999999999998 110.109 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.438 ' HB2' ' HB2' ' A' ' 34' ' ' TYR . 38.5 m-85 -84.81 113.93 21.71 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.173 0.511 . . . . 73.409999999999997 109.975 177.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.612 HG11 ' CE2' ' A' ' 10' ' ' TYR . 4.3 p -133.67 146.59 31.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.011 -0.995 . . . . 64.099999999999994 110.548 -171.087 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -150.58 135.04 17.19 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.716 -0.476 . . . . 70.400000000000006 109.716 174.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.1 t70 69.9 6.71 5.87 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.6 0.714 . . . . 74.430000000000007 110.295 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.41 -3.0 61.22 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.894 -0.669 . . . . 44.140000000000001 111.79 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -102.49 132.41 48.55 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.736 -0.468 . . . . 65.109999999999999 109.736 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -107.18 133.29 52.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.265 0 CA-C-N 115.422 -0.808 . . . . 74.349999999999994 110.399 -175.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -111.19 -33.11 6.55 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.794 -0.362 . . . . 61.240000000000002 111.509 -176.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.49 ' HB3' ' HE2' ' A' ' 24' ' ' TYR . 76.7 m-85 -114.91 139.07 50.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.537 -0.542 . . . . 71.200000000000003 109.537 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -165.74 120.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.31 0.381 . . . . 65.150000000000006 110.665 -173.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -171.97 167.93 6.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 34.130000000000003 110.432 173.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -155.52 126.42 7.01 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.684 -0.689 . . . . 72.310000000000002 110.277 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.437 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 23.3 t70 -146.93 171.8 14.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.329 -0.396 . . . . 71.010000000000005 110.107 -177.697 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.705 HG23 ' HE3' ' A' ' 41' ' ' LYS . 16.7 m -84.32 150.89 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.735 0.302 . . . . 71.340000000000003 110.952 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.79 120.91 24.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.956 -0.64 . . . . 63.219999999999999 112.655 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.705 ' HE3' HG23 ' A' ' 39' ' ' VAL . 11.4 mmpt? -102.58 -168.42 1.52 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.999 0.428 . . . . 74.150000000000006 110.344 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -66.59 155.42 88.94 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.616 -0.72 . . . . 71.230000000000004 111.333 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.94 -45.0 39.28 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 123.367 2.712 . . . . 64.510000000000005 113.12 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.41 -26.01 41.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.202 0.525 . . . . 74.349999999999994 110.482 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.597 ' O ' ' HB2' ' A' ' 49' ' ' ARG . . . -75.95 -3.83 37.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.779 -0.646 . . . . 75.120000000000005 110.834 178.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.73 -40.22 55.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.95 0.405 . . . . 40.340000000000003 110.242 176.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.9 m -85.18 -24.97 27.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.802 -0.635 . . . . 61.240000000000002 110.597 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.8 mtm -111.94 75.84 0.94 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.94 -0.573 . . . . 73.099999999999994 110.048 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.597 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 26.1 ttp180 -144.15 157.56 44.23 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.502 -0.772 . . . . 72.409999999999997 109.997 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -46.14 -44.94 16.23 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.63 0.581 . . . . 53.509999999999998 112.242 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.497 HG12 HG13 ' A' ' 55' ' ' ILE . 25.7 t -72.12 -28.02 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.777 -0.647 . . . . 74.540000000000006 111.962 -174.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.89 -29.42 41.75 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.734 0.642 . . . . 71.329999999999998 112.734 -173.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.53 -45.41 96.33 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.67 -0.776 . . . . 64.230000000000004 112.036 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -71.31 -40.01 71.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.948 0.404 . . . . 72.239999999999995 110.471 176.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.497 HG13 HG12 ' A' ' 51' ' ' VAL . 76.1 mt -59.45 -37.44 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.935 -0.575 . . . . 72.219999999999999 111.035 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.89 -39.08 71.04 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.298 -0.41 . . . . 64.340000000000003 111.252 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.52 90.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 65.030000000000001 110.817 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.79 -36.48 65.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.952 -0.567 . . . . 52.140000000000001 110.54 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.93 -37.86 88.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.804 -0.635 . . . . 74.329999999999998 110.28 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -69.35 -30.8 68.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.344 -0.389 . . . . 73.340000000000003 110.444 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.71 74.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.114 0.483 . . . . 72.129999999999995 109.976 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 110' ' ' TYR . 86.5 t -62.71 -36.08 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.695 -0.684 . . . . 74.129999999999995 110.087 175.195 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -68.0 -36.84 80.65 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.036 -0.529 . . . . 62.43 109.969 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -62.89 -37.49 87.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.989 -0.551 . . . . 73.430000000000007 111.089 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.86 -37.27 83.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.903 0.382 . . . . 62.310000000000002 110.246 175.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.558 ' HB2' HG13 ' A' ' 109' ' ' ILE . 39.0 t -65.12 -33.11 75.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.056 -0.52 . . . . 63.520000000000003 110.49 176.665 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.8 -35.53 80.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 72.209999999999994 110.909 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.1 mp -82.2 -25.81 33.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 64.140000000000001 110.706 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.48 27.31 9.96 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.933 -0.651 . . . . 70.319999999999993 112.465 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.8 m -121.99 167.78 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 110.405 -0.22 . . . . 73.439999999999998 110.405 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.432 ' HA ' HG23 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -147.02 -175.42 4.81 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.523 -0.547 . . . . 63.030000000000001 109.523 179.743 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 22.2 pt -107.27 151.54 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.714 -0.394 . . . . 70.409999999999997 110.074 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -128.24 101.63 6.33 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.283 0.564 . . . . 74.519999999999996 111.666 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.482 HD11 ' HA ' ' A' ' 112' ' ' PHE . 45.4 pt . . . . . 0 N--CA 1.445 -0.703 0 CA-C-N 115.388 -0.824 . . . . 71.409999999999997 108.881 171.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.718 0.294 . . . . 73.019999999999996 110.394 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.51 78.45 1.08 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.5 -0.857 . . . . 24.199999999999999 111.789 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.558 HG13 ' HB2' ' A' ' 66' ' ' SER . 48.9 mm -79.79 -29.78 13.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.217 0.532 . . . . 70.420000000000002 110.341 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.432 ' CD1' HG11 ' A' ' 62' ' ' VAL . 1.5 p90 -140.42 147.63 39.98 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.13 -0.486 . . . . 70.200000000000003 110.21 178.541 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.9 m -155.75 156.93 35.69 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.902 -0.777 . . . . 62.119999999999997 108.902 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.482 ' HA ' HD11 ' A' ' 74' ' ' ILE . 85.8 m-85 -122.65 138.92 54.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.959 0.409 . . . . 64.420000000000002 110.896 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.52 148.33 45.9 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.241 -1.022 . . . . 75.540000000000006 108.241 175.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.76 91.44 6.07 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 121.325 0.583 . . . . 62.439999999999998 112.372 -171.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.3 t -102.52 157.96 4.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.465 -1.309 . . . . 71.120000000000005 107.465 170.545 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -81.37 137.49 35.71 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 119.268 -0.973 . . . . 64.510000000000005 110.485 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.609 ' HA ' ' CG ' ' A' ' 12' ' ' ASP . . . -56.32 106.38 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 72.129999999999995 112.069 -176.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -143.05 7.03 1.59 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.341 -0.39 . . . . 73.340000000000003 111.573 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 71.9 m -58.42 -31.54 67.82 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 111.72 0.267 . . . . 61.210000000000001 111.72 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.31 45.51 11.25 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.609 -0.805 . . . . 52.299999999999997 112.531 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ASN . . . . . 0.501 ' HB3' ' HB2' ' A' ' 124' ' ' ASN . 26.8 t-20 -116.27 146.75 42.14 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.899 -0.408 . . . . 62.520000000000003 109.899 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -60.79 -46.94 88.56 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 123.267 0.355 . . . . 64.329999999999998 111.852 -175.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -71.38 -27.99 63.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.433 0.635 . . . . 71.120000000000005 109.93 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.501 ' HB2' ' HB3' ' A' ' 121' ' ' ASN . 66.8 t30 -70.13 -44.67 68.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.228 -0.896 . . . . 72.230000000000004 110.419 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -69.35 -27.02 64.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.042 -0.526 . . . . 75.329999999999998 110.694 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.448 ' O ' ' HG2' ' A' ' 129' ' ' MET . 36.9 t80 -67.01 -42.07 85.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.661 -0.7 . . . . 74.439999999999998 110.952 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 13.2 p -75.14 -29.03 21.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.815 -0.354 . . . . 62.420000000000002 110.43 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -68.34 -45.97 71.45 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.56 -0.291 . . . . 74.349999999999994 111.037 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 126' ' ' TYR . 22.3 ptp -61.91 -32.66 73.07 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.91 0.386 . . . . 51.130000000000003 110.175 178.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -69.1 -43.08 75.19 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.133 -0.485 . . . . 64.040000000000006 110.289 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.87 98.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 52.25 110.807 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -56.98 -50.86 71.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.11 0.481 . . . . 71.230000000000004 110.651 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.0 m -61.49 -36.91 81.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.691 -0.686 . . . . 72.439999999999998 111.145 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.49 -26.88 66.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 71.129999999999995 111.322 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.738 HD13 ' HG3' ' A' ' 19' ' ' GLN . 95.5 mt -87.07 -18.13 31.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.904 0.383 . . . . 75.150000000000006 110.544 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 106.12 23.17 7.49 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.42 -0.895 . . . . 72.019999999999996 112.748 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 43.6 mm . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 109.869 -0.419 . . . . 74.310000000000002 109.869 176.386 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.794 ' HB3' ' HB2' ' A' ' 29' ' ' ASP . 7.3 p-10 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.968 0.413 . . . . 74.200000000000003 110.668 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -108.34 3.55 23.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.183 -0.462 . . . . 72.450000000000003 111.068 -172.054 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.75 100.64 10.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.114 -0.494 . . . . 70.540000000000006 110.616 177.629 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.54 ' HA ' ' HB ' ' A' ' 70' ' ' VAL . 31.3 mt-10 60.44 -163.97 0.24 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.534 -0.757 . . . . 71.409999999999997 110.066 -174.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -118.37 163.67 16.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.658 0.742 . . . . 72.329999999999998 112.232 -177.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -126.54 112.19 15.25 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.738 -1.119 . . . . 73.439999999999998 108.736 168.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.1 t -131.1 136.59 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 122.323 -0.235 . . . . 74.439999999999998 110.416 -176.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -127.97 143.5 51.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.056 0.455 . . . . 75.510000000000005 110.968 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.1 t -147.96 21.22 1.12 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.716 -0.846 . . . . 70.219999999999999 108.716 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.477 ' OD2' ' HB1' ' A' ' 117' ' ' ALA . 12.5 t70 -65.23 105.06 1.02 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 114.899 -1.046 . . . . 74.5 110.393 -175.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.2 177.16 25.67 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.849 -0.691 . . . . 75.219999999999999 112.083 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.3 m -133.09 130.65 39.59 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.64 0.257 . . . . 72.140000000000001 110.962 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -80.46 157.84 26.08 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.263 -0.643 . . . . 73.140000000000001 109.263 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.75 117.12 51.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.144 0.497 . . . . 63.049999999999997 111.154 -177.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.4 m120 55.9 29.48 14.24 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.683 -0.69 . . . . 64.310000000000002 112.29 175.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.79 -15.94 62.31 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.518 -0.848 . . . . 61.130000000000003 112.625 178.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -77.61 126.27 30.63 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.424 -0.584 . . . . 71.400000000000006 109.424 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -134.45 147.38 50.4 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.091 0.472 . . . . 74.209999999999994 110.676 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.42 136.39 43.25 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.318 -0.993 . . . . 73.439999999999998 108.318 172.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 30.4 p-90 -82.99 130.01 35.1 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.445 -0.576 . . . . 73.010000000000005 109.445 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' A' ' 37' ' ' ALA . . . -166.44 135.28 2.97 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.576 -0.738 . . . . 73.019999999999996 110.159 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -148.04 -179.63 7.06 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.717 -0.674 . . . . 72.030000000000001 109.549 174.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' A' ' 35' ' ' GLU . . . -142.11 135.28 28.94 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.427 -0.351 . . . . 72.310000000000002 110.115 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.728 ' HB2' ' HB2' ' A' ' 34' ' ' TYR . 91.6 m-85 -84.18 97.29 9.3 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 108.906 -0.775 . . . . 72.299999999999997 108.906 176.614 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -90.32 146.57 6.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 114.759 -1.11 . . . . 73.140000000000001 108.649 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.608 ' CD ' ' HB2' ' A' ' 3' ' ' ASP . 1.4 tppm? -139.41 106.49 5.46 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.833 -0.432 . . . . 53.240000000000002 109.833 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.794 ' HB2' ' HB3' ' A' ' 3' ' ' ASP . 31.9 t70 67.1 22.98 9.74 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.123 -0.944 . . . . 71.230000000000004 110.199 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.56 -5.18 62.24 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.728 -0.749 . . . . 75.430000000000007 112.727 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -101.52 140.07 36.31 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.668 -0.493 . . . . 74.109999999999999 109.668 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.1 t -98.81 110.9 27.12 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 116.543 -0.299 . . . . 71.5 110.265 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -105.91 -24.1 12.52 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.738 -0.385 . . . . 71.450000000000003 110.851 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.728 ' HB2' ' HB2' ' A' ' 26' ' ' PHE . 44.1 m-85 -137.75 148.56 45.7 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.859 -0.422 . . . . 70.299999999999997 109.859 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -160.04 154.91 24.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.633 0.254 . . . . 73.510000000000005 110.923 178.289 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.426 ' OD2' ' HA ' ' A' ' 23' ' ' ALA . 4.6 p-10 -135.05 174.07 11.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.099 -0.501 . . . . 73.239999999999995 109.868 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HA ' ' HB2' ' A' ' 23' ' ' ALA . . . 179.88 119.37 0.06 Allowed 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.848 0.717 . . . . 70.439999999999998 110.656 174.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -161.74 167.88 24.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.738 0.304 . . . . 75.439999999999998 110.637 175.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.7 m -92.95 -178.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.493 -0.322 . . . . 73.430000000000007 110.478 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.0 84.67 0.48 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.72 -0.752 . . . . 65.239999999999995 112.345 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm -106.41 -168.52 1.43 Allowed 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 110.017 -0.364 . . . . 73.200000000000003 110.017 178.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -95.39 154.86 39.27 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 116.263 -0.426 . . . . 71.049999999999997 110.807 -175.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.7 ' HA ' ' HB3' ' A' ' 46' ' ' ALA . 78.2 Cg_exo -52.24 -28.56 34.56 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.491 2.794 . . . . 62.409999999999997 113.082 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.57 -41.73 81.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 45.229999999999997 110.75 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.68 -28.46 20.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.825 -0.625 . . . . 72.140000000000001 110.671 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.7 ' HB3' ' HA ' ' A' ' 43' ' ' PRO . . . -65.6 -15.46 62.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.766 -0.652 . . . . 70.450000000000003 111.266 178.531 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.2 m -60.59 -39.13 86.95 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.124 -0.489 . . . . 74.200000000000003 110.285 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.485 ' HB2' ' HB2' ' A' ' 52' ' ' ALA . 26.3 mmt 71.35 115.92 0.05 OUTLIER 'General case' 0 C--N 1.34 0.174 0 CA-C-O 121.559 0.695 . . . . 65.349999999999994 111.663 175.442 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -97.31 -0.28 46.79 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.93 -0.577 . . . . 71.340000000000003 110.941 176.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -124.72 -59.72 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.318 -0.401 . . . . 74.299999999999997 110.78 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.7 t -64.71 -29.37 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.69 -0.686 . . . . 74.420000000000002 111.552 -175.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 48' ' ' MET . . . -63.66 -19.08 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 55.229999999999997 111.711 -176.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.93 -45.07 96.5 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.04 -0.824 . . . . 54.439999999999998 111.04 174.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.518 ' HB3' ' HD1' ' A' ' 34' ' ' TYR . 10.0 mp0 -71.23 -37.93 71.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.233 0.54 . . . . 64.310000000000002 110.132 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.405 ' HB ' ' HA ' ' A' ' 52' ' ' ALA . 51.1 mm -65.07 -39.91 87.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.671 -0.695 . . . . 70.019999999999996 110.919 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.32 -33.32 72.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.424 -0.353 . . . . 71.519999999999996 111.348 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.21 84.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.031 0.443 . . . . 72.409999999999997 110.558 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.47 -25.09 50.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.078 -0.51 . . . . 52.340000000000003 111.078 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 tt -53.3 -58.57 6.62 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.126 -0.488 . . . . 74.530000000000001 110.869 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.51 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 29.4 m-85 -69.34 -28.28 66.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.451 -0.341 . . . . 63.420000000000002 111.61 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.435 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . . . -63.39 -48.16 79.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 61.420000000000002 110.264 177.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.402 HG11 ' CE2' ' A' ' 110' ' ' TYR . 91.7 t -71.26 -35.49 58.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.779 -0.646 . . . . 73.450000000000003 110.724 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -58.43 -49.19 78.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 63.0 110.735 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 60' ' ' TYR . 57.4 pttt -75.55 -27.54 58.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.63 -0.259 . . . . 72.140000000000001 111.195 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.455 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -53.47 -35.17 60.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.984 0.421 . . . . 65.040000000000006 111.13 177.45 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.1 t -62.01 -36.27 81.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.789 -0.642 . . . . 72.319999999999993 110.688 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.29 -38.79 55.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.385 -0.37 . . . . 75.129999999999995 110.511 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.29 -25.31 65.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 75.420000000000002 110.782 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.45 33.8 7.82 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 121.013 -0.613 . . . . 72.230000000000004 112.546 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.54 ' HB ' ' HA ' ' A' ' 6' ' ' GLU . 18.0 m -122.74 135.51 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.871 0.367 . . . . 54.520000000000003 110.516 178.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -152.67 176.36 11.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.073 -0.512 . . . . 72.200000000000003 110.237 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.469 HD13 HG13 ' A' ' 74' ' ' ILE . 2.1 pp -132.25 178.31 5.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.319 -0.4 . . . . 41.32 111.074 175.599 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -135.47 107.22 7.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.33 -0.396 . . . . 72.150000000000006 110.331 173.013 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.708 ' HB ' ' O ' ' A' ' 111' ' ' SER . 57.7 mt . . . . . 0 C--N 1.319 -0.758 0 N-CA-C 108.337 -0.986 . . . . 71.519999999999996 108.337 174.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.64 ' HA ' ' NE ' ' A' ' 107' ' ' ARG . 3.3 mmp_? . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.937 0.398 . . . . 73.420000000000002 111.206 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 64.6 84.19 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.168 -0.924 . . . . 70.109999999999999 113.646 172.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.616 ' H ' HD12 ' A' ' 109' ' ' ILE . 4.0 mp -66.85 -36.69 77.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 107.463 -1.31 . . . . 75.150000000000006 107.463 170.056 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.402 ' CE2' HG11 ' A' ' 62' ' ' VAL . 48.2 p90 -131.59 146.17 52.07 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.038 -1.437 . . . . 75.349999999999994 108.65 169.581 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.708 ' O ' ' HB ' ' A' ' 74' ' ' ILE . 6.8 p -137.63 142.34 41.21 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 110.13 -0.322 . . . . 62.119999999999997 110.13 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -154.88 141.5 18.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.125 0.488 . . . . 74.400000000000006 110.904 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -147.82 150.35 34.02 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.126 -1.064 . . . . 70.219999999999999 108.126 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.455 ' HD3' ' H ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -75.63 90.38 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.962 0.887 . . . . 74.209999999999994 112.153 -176.101 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.96 143.63 35.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 114.288 -1.324 . . . . 60.020000000000003 108.522 173.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -65.41 156.98 30.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.384 0.612 . . . . 75.319999999999993 112.002 -173.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.477 ' HB1' ' OD2' ' A' ' 12' ' ' ASP . . . -145.07 145.06 31.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.438 -0.801 . . . . 65.230000000000004 109.661 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -145.72 44.96 1.28 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.123 0.416 . . . . 70.230000000000004 112.123 -174.779 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.9 m -63.0 -33.02 74.52 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.071 -0.393 . . . . 54.219999999999999 111.168 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 64.59 56.56 16.43 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.913 -0.661 . . . . 73.400000000000006 113.294 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -112.11 179.08 4.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.43 -0.582 . . . . 71.349999999999994 109.43 176.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.19 -29.77 65.91 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.94 0.4 . . . . 63.509999999999998 111.159 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -66.47 -26.46 67.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.986 -0.552 . . . . 50.329999999999998 111.431 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.533 ' HA ' HG12 ' A' ' 127' ' ' VAL . 10.1 m120 -63.23 -33.3 75.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.328 . . . . 63.009999999999998 110.971 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.28 -40.93 96.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.003 -0.544 . . . . 73.530000000000001 109.772 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.484 ' O ' ' HB2' ' A' ' 130' ' ' LYS . 70.4 t80 -70.57 -49.79 44.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.064 -0.971 . . . . 74.109999999999999 110.987 -178.109 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' A' ' 124' ' ' ASN . 14.4 p -71.24 -34.8 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.413 -0.358 . . . . 63.439999999999998 111.769 -175.429 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.685 ' O ' ' HG2' ' A' ' 132' ' ' LYS . 8.8 t70 -59.48 -56.25 24.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.619 0.247 . . . . 71.099999999999994 111.244 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 26.9 ptm -66.82 -31.38 71.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.997 0.427 . . . . 74.109999999999999 110.408 -178.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 126' ' ' TYR . 4.0 tmtp? -62.37 -48.22 80.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.908 -0.587 . . . . 75.140000000000001 109.946 178.226 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.32 85.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 51.229999999999997 111.086 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.775 ' HB3' ' HB ' ' A' ' 137' ' ' ILE . 33.2 mmtp -61.3 -32.54 72.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.424 -0.353 . . . . 63.340000000000003 110.872 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.3 t -64.42 -34.91 79.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.416 -0.356 . . . . 72.519999999999996 110.519 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -76.75 -21.57 55.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.089 0.471 . . . . 72.129999999999995 110.818 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 95.8 mt -93.91 -2.84 52.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.961 -0.563 . . . . 73.409999999999997 110.277 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 77.17 23.96 67.36 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.627 -0.715 . . . . 72.099999999999994 112.815 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.775 ' HB ' ' HB3' ' A' ' 132' ' ' LYS . 50.7 mm . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 120.748 0.309 . . . . 75.329999999999998 110.34 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 1.066 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 2.7 p-10 . . . . . 0 N--CA 1.443 -0.796 0 N-CA-C 108.594 -0.891 . . . . 74.239999999999995 108.594 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -139.51 -24.69 0.85 Allowed 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.928 0.714 . . . . 71.329999999999998 112.928 -172.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.75 95.25 6.58 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 113.347 0.869 . . . . 70.299999999999997 113.347 -165.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 43.13 90.39 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.446 1.091 . . . . 73.030000000000001 112.445 169.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.672 ' HB2' HG22 ' A' ' 72' ' ' ILE . 22.4 m-85 -72.31 127.88 33.93 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.049 -0.523 . . . . 72.310000000000002 110.618 -172.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -110.42 100.17 9.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.027 -0.533 . . . . 64.310000000000002 109.737 -176.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.465 ' HB ' ' O ' ' A' ' 73' ' ' ARG . 76.8 t -96.8 112.14 28.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.008 -0.542 . . . . 74.230000000000004 110.193 -178.09 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -143.33 150.97 39.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.049 -0.523 . . . . 74.010000000000005 110.374 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.465 HG23 HG21 ' A' ' 127' ' ' VAL . 37.9 m -146.91 86.2 1.64 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.406 0.622 . . . . 71.109999999999999 110.07 175.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -115.5 99.47 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.628 -0.714 . . . . 72.040000000000006 109.127 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.87 97.16 0.19 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.024 -0.83 . . . . 64.219999999999999 111.024 -176.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.518 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 10.1 p -159.67 18.24 0.16 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.829 0.347 . . . . 72.120000000000005 111.483 -175.265 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.804 ' HB3' ' HD1' ' A' ' 20' ' ' TYR . 22.1 p90 -145.11 131.0 19.15 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.303 0.573 . . . . 74.230000000000004 110.731 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.494 HG11 ' HE2' ' A' ' 132' ' ' LYS . 8.1 p -154.73 136.38 5.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.737 -0.665 . . . . 73.209999999999994 110.069 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.1 m120 59.24 28.57 17.93 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.343 -0.389 . . . . 64.299999999999997 111.328 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.83 -2.85 86.94 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.895 -0.669 . . . . 34.229999999999997 112.4 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.498 ' HB3' HD22 ' A' ' 135' ' ' LEU . 51.3 mt-30 -94.42 132.7 38.78 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.833 -0.432 . . . . 72.409999999999997 109.833 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.804 ' HD1' ' HB3' ' A' ' 15' ' ' TYR . 86.9 t80 -131.6 134.12 45.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.95 0.405 . . . . 73.329999999999998 111.177 -174.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' ' 14' ' ' SER . . . -152.51 133.63 14.24 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.61 -0.885 . . . . 72.530000000000001 108.61 176.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 48.7 p-90 -82.54 144.3 30.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.51 0.672 . . . . 73.319999999999993 111.004 -173.154 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -146.98 168.54 21.26 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.045 -0.98 . . . . 74.439999999999998 109.21 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -145.74 136.67 24.54 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.026 0.441 . . . . 74.530000000000001 110.699 177.016 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.78 112.59 14.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.571 -0.741 . . . . 75.129999999999995 109.786 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.482 ' CE1' HD12 ' A' ' 55' ' ' ILE . 31.9 m-85 -94.85 97.79 10.27 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.291 0.567 . . . . 75.200000000000003 110.448 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 p -97.7 115.04 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 115.075 -0.966 . . . . 42.219999999999999 109.749 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -102.95 101.46 11.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.386 -0.825 . . . . 72.010000000000005 109.561 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 1.066 ' HB3' ' HB2' ' A' ' 3' ' ' ASP . 37.5 t0 45.61 49.22 11.12 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.366 -0.834 . . . . 73.420000000000002 111.403 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.78 -19.35 54.94 Favored Glycine 0 CA--C 1.52 0.379 0 CA-C-N 115.739 -0.664 . . . . 55.450000000000003 113.46 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -94.62 126.4 39.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.226 0.513 . . . . 72.430000000000007 110.747 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.2 t -87.46 98.26 7.25 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 N-CA-C 109.288 -0.634 . . . . 74.409999999999997 109.288 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -85.63 -30.55 23.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.266 -0.425 . . . . 73.129999999999995 110.701 -175.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -144.57 141.17 29.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.059 0.457 . . . . 72.209999999999994 111.596 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -152.57 120.52 6.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.76 -1.109 . . . . 54.210000000000001 108.165 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.609 ' HB3' HG13 ' A' ' 51' ' ' VAL . 1.9 t0 -160.73 165.79 29.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.808 0.337 . . . . 63.539999999999999 110.646 -175.43 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.67 155.57 40.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.104 -0.498 . . . . 65.200000000000003 110.195 -175.697 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.417 ' HB2' HG23 ' A' ' 51' ' ' VAL . 4.2 t0 -148.57 167.28 25.83 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.978 -0.379 . . . . 74.030000000000001 109.978 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 20.4 m -108.74 156.72 9.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.247 -0.433 . . . . 74.400000000000006 110.132 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.73 67.66 1.35 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.507 -0.854 . . . . 65.400000000000006 111.973 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' O ' ' HD3' ' A' ' 41' ' ' LYS . 14.8 tmtt? -84.46 88.65 7.3 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.511 -0.552 . . . . 62.420000000000002 109.511 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -141.96 152.36 61.79 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.633 -0.712 . . . . 71.519999999999996 109.677 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -63.14 -24.29 72.98 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.659 2.239 . . . . 71.340000000000003 112.126 175.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.49 -26.74 68.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.381 -0.372 . . . . 52.229999999999997 111.1 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.521 ' O ' ' HG3' ' A' ' 49' ' ' ARG . . . -91.5 7.32 41.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.067 -0.515 . . . . 74.430000000000007 111.45 -177.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . . . -47.88 -43.23 28.41 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.459 0.911 . . . . 75.439999999999998 113.459 -174.503 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 m -93.56 -28.97 15.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.914 0.387 . . . . 72.230000000000004 110.977 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.9 ptp -95.68 66.12 2.68 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.529 0.681 . . . . 73.230000000000004 111.415 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 80.2 mtt180 -115.42 126.44 54.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.549 -0.751 . . . . 75.519999999999996 109.824 176.339 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -68.71 -40.57 79.92 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.88 0.372 . . . . 75.109999999999999 110.359 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.609 HG13 ' HB3' ' A' ' 36' ' ' ASP . 47.7 t -60.58 -30.56 47.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.666 -0.697 . . . . 73.140000000000001 111.275 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.17 -23.09 61.92 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.278 -0.419 . . . . 74.329999999999998 111.987 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.0 -51.91 51.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 71.519999999999996 111.625 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -71.36 -35.58 71.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.798 0.332 . . . . 72.209999999999994 111.17 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.54 HG12 ' O ' ' A' ' 51' ' ' VAL . 46.2 mm -63.32 -30.38 49.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 73.340000000000003 111.14 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.12 -29.06 70.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 71.099999999999994 111.581 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.65 -27.53 63.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.055 0.455 . . . . 74.120000000000005 110.965 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.65 -21.86 54.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 64.319999999999993 110.771 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.93 -30.97 71.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.863 -0.608 . . . . 65.450000000000003 111.034 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -60.29 -35.86 76.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.540000000000006 111.178 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.94 -35.95 77.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 63.109999999999999 110.219 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.94 -39.07 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.781 -0.645 . . . . 41.329999999999998 110.151 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -63.79 -38.23 90.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.773 -0.649 . . . . 73.140000000000001 110.454 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -75.14 -29.15 60.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.627 -0.261 . . . . 65.200000000000003 111.06 176.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.78 -35.61 76.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.861 0.362 . . . . 33.240000000000002 111.105 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.508 ' HB2' ' CD1' ' A' ' 109' ' ' ILE . 33.1 t -62.63 -37.57 86.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 63.530000000000001 110.212 176.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -73.89 -48.3 31.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.643 -0.708 . . . . 50.119999999999997 111.161 -178.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.42 -26.06 65.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.043 -0.526 . . . . 65.319999999999993 111.314 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.8 10.55 58.78 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.646 -0.788 . . . . 51.210000000000001 112.857 177.04 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.9 m -86.7 150.5 3.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 110.237 -0.283 . . . . 70.230000000000004 110.237 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.498 ' HD2' ' O ' ' A' ' 108' ' ' GLY . 70.2 mmtt -116.24 144.22 44.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.378 -0.374 . . . . 70.420000000000002 110.767 -173.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.672 HG22 ' HB2' ' A' ' 7' ' ' TYR . 17.1 pt -127.7 154.05 37.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.297 -0.41 . . . . 71.0 110.887 178.227 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.465 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 4.4 mpt_? -97.65 135.06 40.0 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.254 -0.647 . . . . 62.240000000000002 109.254 172.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.436 HG12 ' HB2' ' A' ' 110' ' ' TYR . 35.1 mm . . . . . 0 C--N 1.322 -0.625 0 CA-C-O 120.896 0.379 . . . . 71.120000000000005 110.738 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 121.023 0.439 . . . . 73.099999999999994 110.459 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.498 ' O ' ' HD2' ' A' ' 71' ' ' LYS . . . -152.68 17.52 0.75 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.932 -0.651 . . . . 72.040000000000006 111.613 176.641 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.508 ' CD1' ' HB2' ' A' ' 66' ' ' SER . 9.3 mt -74.44 -39.63 48.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.129 0.49 . . . . 74.209999999999994 110.435 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.576 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 32.1 p90 -140.15 149.02 42.48 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.479 -0.782 . . . . 74.129999999999995 110.899 -174.143 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.3 m -149.7 164.75 34.37 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.531 -0.758 . . . . 74.420000000000002 109.39 177.366 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -134.7 142.17 46.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.932 0.396 . . . . 74.109999999999999 110.525 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -142.52 133.92 26.36 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.936 -1.135 . . . . 64.319999999999993 107.936 178.287 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -71.56 89.0 0.95 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.153 0.501 . . . . 73.129999999999995 110.835 -174.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 18.2 t -125.49 100.11 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.621 -0.718 . . . . 54.32 110.101 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -78.61 84.39 4.72 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.915 -0.772 . . . . 65.239999999999995 108.915 175.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -148.34 -52.01 0.18 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.301 -0.863 . . . . 44.43 109.73 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.32 12.69 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.395 0.617 . . . . 73.040000000000006 109.928 174.098 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.8 m -98.23 11.36 38.11 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.264 -0.88 . . . . 64.329999999999998 110.205 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -137.07 32.53 2.42 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.585 -0.734 . . . . 33.509999999999998 111.52 178.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -92.25 166.77 12.44 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.789 -0.448 . . . . 62.130000000000003 109.789 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -55.89 -34.45 65.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.896 0.379 . . . . 42.0 111.623 -177.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -66.9 -26.27 66.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.054 -0.521 . . . . 72.340000000000003 111.513 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.3 -38.05 89.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.653 0.263 . . . . 74.540000000000006 110.7 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.81 -29.98 66.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 72.439999999999998 110.345 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -60.36 -50.42 73.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 51.409999999999997 110.703 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.465 HG21 HG23 ' A' ' 11' ' ' THR . 11.8 p -76.46 -31.53 20.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.955 0.407 . . . . 75.420000000000002 110.64 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 132' ' ' LYS . 34.2 t70 -57.76 -49.79 75.4 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.05 -0.523 . . . . 75.230000000000004 110.369 177.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.442 ' HA ' ' HB3' ' A' ' 132' ' ' LYS . 27.6 ptt? -71.54 -30.25 65.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.361 -0.381 . . . . 73.519999999999996 110.928 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -58.65 -53.48 57.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.41 . . . . 71.430000000000007 110.057 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.14 -31.89 68.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.239 0.543 . . . . 54.420000000000002 110.519 177.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.669 ' HG2' ' HB ' ' A' ' 137' ' ' ILE . 37.0 ttmt -57.53 -35.19 69.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.345 -0.843 . . . . 72.239999999999995 111.363 178.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.6 m -65.93 -32.53 74.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 72.430000000000007 110.809 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.46 -6.95 55.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.082 -0.508 . . . . 73.040000000000006 110.855 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 19' ' ' GLN . 83.6 mt -97.14 -5.57 36.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.979 -0.555 . . . . 72.439999999999998 110.602 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 100.68 -6.76 57.38 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.733 -0.746 . . . . 53.100000000000001 112.556 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.669 ' HB ' ' HG2' ' A' ' 132' ' ' LYS . 58.4 mt . . . . . 0 C--N 1.32 -0.716 0 N-CA-C 109.433 -0.58 . . . . 53.439999999999998 109.433 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 N--CA 1.449 -0.524 0 CA-C-O 121.147 0.498 . . . . 73.310000000000002 110.073 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 4' ' ' ARG . 56.5 mtt85 -89.92 -25.86 20.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.586 -0.733 . . . . 54.009999999999998 111.324 -178.017 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 p -105.96 121.48 44.19 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.587 -0.733 . . . . 63.109999999999999 111.013 -177.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.637 ' O ' ' HE2' ' A' ' 28' ' ' LYS . 32.5 tt0 68.2 106.8 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 O-C-N 124.203 0.939 . . . . 72.420000000000002 110.904 -177.571 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -85.59 148.02 26.12 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 108.184 -1.043 . . . . 72.109999999999999 108.184 167.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.73 ' OD2' ' HB2' ' A' ' 26' ' ' PHE . 1.5 p-10 -78.81 104.52 9.49 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.492 0.663 . . . . 74.450000000000003 111.153 -174.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.693 HG21 HD13 ' A' ' 72' ' ' ILE . 55.3 t -130.24 130.81 65.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.456 -0.793 . . . . 52.409999999999997 111.033 -178.017 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -153.41 137.72 16.62 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.504 -0.924 . . . . 74.040000000000006 108.504 174.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.9 t -148.64 154.33 39.55 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.55 -0.46 . . . . 44.109999999999999 111.475 -174.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.518 ' HA ' ' O ' ' A' ' 115' ' ' VAL . 0.0 OUTLIER -103.6 173.47 6.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.798 -0.816 . . . . 61.32 108.798 172.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -168.82 39.19 0.21 Allowed Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.928 -0.653 . . . . 52.32 111.534 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.9 m -127.6 113.17 15.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.93 0.395 . . . . 75.540000000000006 111.293 -176.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -58.15 122.2 12.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.698 -0.683 . . . . 74.319999999999993 110.326 176.25 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p -102.94 127.05 57.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.96 0.409 . . . . 73.519999999999996 110.811 -176.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 m120 62.92 30.94 16.48 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.793 -0.64 . . . . 74.200000000000003 111.356 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.14 10.06 85.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.823 -0.704 . . . . 70.430000000000007 113.53 173.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -127.08 155.12 43.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.995 0.398 . . . . 75.129999999999995 110.29 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -97.06 134.93 39.76 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.519 0.676 . . . . 62.210000000000001 111.938 -175.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.88 167.2 24.52 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 107.495 -1.298 . . . . 54.109999999999999 107.495 173.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.6 p-90 -139.77 130.05 25.31 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.144 -0.622 . . . . 72.230000000000004 110.731 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.731 ' HB1' ' HB ' ' A' ' 127' ' ' VAL . . . -124.68 135.91 53.45 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.672 -0.695 . . . . 52.25 110.113 176.033 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -128.23 139.46 52.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.085 0.469 . . . . 73.219999999999999 109.99 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.793 ' HB2' HG11 ' A' ' 127' ' ' VAL . . . -133.23 154.15 50.91 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.906 -0.588 . . . . 64.420000000000002 110.255 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.73 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -128.15 97.79 4.89 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.627 0.727 . . . . 55.450000000000003 110.244 175.463 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.726 ' HA ' ' HA ' ' A' ' 32' ' ' VAL . 2.7 p -109.98 125.66 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 114.884 -1.053 . . . . 71.530000000000001 110.717 -174.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.687 ' HB2' ' HB3' ' A' ' 8' ' ' ASP . 23.7 tptp -126.78 122.98 36.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.848 -0.614 . . . . 61.240000000000002 109.952 -176.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.443 ' OD1' ' HG3' ' A' ' 28' ' ' LYS . 4.2 m-20 62.47 35.59 14.63 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.624 0.601 . . . . 51.43 112.624 172.161 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.53 1.74 58.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.24 -0.981 . . . . 55.509999999999998 114.295 172.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.61 ' HE2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -153.25 151.64 30.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.87 0.835 . . . . 75.439999999999998 111.717 173.812 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.726 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 14.9 p -84.14 151.37 3.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.603 -0.726 . . . . 73.209999999999994 110.65 -176.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.676 ' HB2' ' HD2' ' A' ' 26' ' ' PHE . 37.6 m170 -77.44 -60.11 2.5 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.841 -0.429 . . . . 74.530000000000001 109.841 174.226 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.41 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 98.7 m-85 -144.76 154.04 42.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 73.319999999999993 109.652 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -124.71 120.99 33.38 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.245 -0.28 . . . . 73.129999999999995 110.245 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -152.61 159.36 43.23 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.06 -0.348 . . . . 64.430000000000007 110.06 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -176.6 156.04 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.275 -0.639 . . . . 72.129999999999995 109.275 -175.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -156.76 175.94 13.39 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.254 -0.276 . . . . 71.450000000000003 110.254 -178.519 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.9 m -98.55 130.19 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-O 121.229 0.538 . . . . 64.129999999999995 111.222 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.84 -165.98 53.54 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.72 -0.673 . . . . 41.310000000000002 112.344 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -138.58 109.41 6.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.804 0.335 . . . . 72.239999999999995 110.736 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.754 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 17.9 m120 -129.41 142.74 46.3 Favored Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 109.12 -0.696 . . . . 75.329999999999998 109.12 175.292 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.08 -50.4 11.45 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 122.86 2.373 . . . . 74.299999999999997 113.357 -173.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.69 -33.26 17.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.69 0.281 . . . . 72.049999999999997 111.077 -176.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.754 ' HB3' ' HB2' ' A' ' 42' ' ' ASN . . . -67.95 -36.14 79.59 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.203 0.446 . . . . 71.400000000000006 112.203 -176.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.02 -16.6 60.6 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.06 0.392 . . . . 62.219999999999999 112.06 -175.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 p -120.02 -62.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.851 -0.34 . . . . 72.129999999999995 111.509 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.424 ' HG2' ' HG3' ' A' ' 49' ' ' ARG . 49.2 ttm 44.16 -85.44 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 125.613 1.565 . . . . 72.120000000000005 112.576 178.107 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.424 ' HG3' ' HG2' ' A' ' 48' ' ' MET . 51.4 mtt180 -148.03 13.43 1.0 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.455 -1.248 . . . . 73.409999999999997 109.413 -176.366 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -82.36 176.51 9.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.082 -0.963 . . . . 73.439999999999998 110.318 -175.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.526 ' O ' HG12 ' A' ' 55' ' ' ILE . 45.9 t -62.81 -35.97 73.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.377 0.608 . . . . 61.240000000000002 109.467 177.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.709 ' HA ' ' HB ' ' A' ' 55' ' ' ILE . . . -58.59 -16.03 14.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.097 -0.956 . . . . 62.409999999999997 112.027 177.362 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.52 -53.38 39.19 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.708 -0.758 . . . . 51.140000000000001 111.844 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.4 -31.19 65.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.954 0.407 . . . . 72.439999999999998 110.412 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.709 ' HB ' ' HA ' ' A' ' 52' ' ' ALA . 37.7 mm -64.44 -29.58 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.896 -0.593 . . . . 65.219999999999999 110.966 177.841 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.67 -24.62 22.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.371 . . . . 74.010000000000005 111.581 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.58 -24.74 67.7 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.742 0.306 . . . . 72.420000000000002 110.83 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -68.93 -26.83 65.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.48 -0.327 . . . . 75.420000000000002 110.343 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.6 tp -67.26 -39.28 86.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.328 0.585 . . . . 75.129999999999995 109.501 176.553 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.487 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 97.5 m-85 -73.8 -26.37 60.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.535 -0.757 . . . . 75.209999999999994 110.13 175.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.2 -34.47 78.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.304 -0.407 . . . . 74.299999999999997 110.049 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 58' ' ' ALA . 62.0 t -69.57 -37.18 73.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.117 0.484 . . . . 62.229999999999997 109.938 174.043 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.487 ' HB2' ' HA ' ' A' ' 60' ' ' TYR . 6.0 tmtt? -56.41 -41.75 76.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.411 -0.813 . . . . 73.030000000000001 109.748 174.762 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -71.0 -45.87 63.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.709 -0.678 . . . . 73.420000000000002 110.791 174.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.05 -41.62 64.96 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.058 -0.519 . . . . 43.399999999999999 111.993 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.475 ' HA ' HG12 ' A' ' 109' ' ' ILE . 34.5 t -52.22 -49.71 63.4 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.053 -0.521 . . . . 61.350000000000001 110.926 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -83.63 -29.13 27.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.921 -0.581 . . . . 74.540000000000006 111.461 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.3 tp -72.74 -26.55 61.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.393 . . . . 64.319999999999993 111.027 -176.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.88 14.61 31.07 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.563 -0.827 . . . . 65.230000000000004 112.932 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.4 m -112.43 147.41 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.753 0.311 . . . . 61.240000000000002 110.749 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.583 ' HA ' HG23 ' A' ' 109' ' ' ILE . 80.4 mttt -129.69 178.37 6.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.168 -0.469 . . . . 71.310000000000002 110.318 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.693 HD13 HG21 ' A' ' 9' ' ' VAL . 2.7 pp -109.31 167.18 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 110.121 -0.325 . . . . 70.219999999999999 110.121 178.124 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.6 ttt85 -76.79 102.8 6.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.127 0.489 . . . . 74.230000000000004 109.914 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.539 ' HB ' ' HB3' ' A' ' 111' ' ' SER . 35.5 pt . . . . . 0 N--CA 1.447 -0.609 0 CA-C-N 115.588 -0.733 . . . . 74.319999999999993 111.601 -175.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.873 0.368 . . . . 62.229999999999997 110.109 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 136.25 -49.72 0.87 Allowed Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.99 -0.844 . . . . 72.329999999999998 110.99 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.583 HG23 ' HA ' ' A' ' 71' ' ' LYS . 4.1 mp -80.28 -39.58 19.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.468 -0.938 . . . . 75.099999999999994 108.468 172.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.67 147.29 41.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.871 -1.059 . . . . 72.329999999999998 109.522 175.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.539 ' HB3' ' HB ' ' A' ' 74' ' ' ILE . 5.7 t -161.41 140.21 9.83 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.415 -0.587 . . . . 71.219999999999999 109.415 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -126.29 171.56 10.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.118 0.485 . . . . 53.549999999999997 111.304 -174.217 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.402 ' OE2' ' HG2' ' A' ' 114' ' ' LYS . 0.6 OUTLIER -147.41 152.06 37.5 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.12 -1.437 . . . . 63.140000000000001 107.12 172.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.402 ' HG2' ' OE2' ' A' ' 113' ' ' GLU . 17.5 ptpt -79.35 81.62 5.6 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.896 0.855 . . . . 73.329999999999998 110.833 -176.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 12' ' ' ASP . 60.6 t -100.64 139.44 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.99 -1.005 . . . . 63.409999999999997 110.715 -176.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -142.43 124.21 15.12 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.12 -0.696 . . . . 75.5 109.12 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.43 132.61 43.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.794 0.331 . . . . 72.019999999999996 110.325 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -109.36 -37.96 5.61 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.209 -0.45 . . . . 75.329999999999998 111.108 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 17.7 m -72.98 -32.66 65.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.377 -0.374 . . . . 75.430000000000007 111.451 -174.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 135.29 90.09 0.32 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.254 -0.974 . . . . 64.439999999999998 113.351 175.829 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -116.74 131.17 57.02 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.364 -0.236 . . . . 62.100000000000001 110.364 173.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -63.19 -41.76 99.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.941 0.4 . . . . 74.140000000000001 110.788 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -60.43 -39.63 88.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.537 -0.756 . . . . 73.409999999999997 110.165 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -69.26 -48.05 62.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.58 -0.736 . . . . 71.25 110.841 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -67.48 -35.96 80.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.028 -0.533 . . . . 72.209999999999994 111.069 -175.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -56.11 25.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 73.420000000000002 110.766 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.793 HG11 ' HB2' ' A' ' 25' ' ' ALA . 30.6 m -68.69 -30.9 48.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.795 0.331 . . . . 61.329999999999998 110.794 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.23 -45.55 92.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.772 -0.649 . . . . 73.019999999999996 109.864 174.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 46.6 ttm -64.4 -40.44 95.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.455 -0.793 . . . . 71.239999999999995 110.777 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -65.35 -42.83 92.42 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.375 -0.375 . . . . 72.340000000000003 110.077 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -63.37 -42.74 98.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.359 -0.382 . . . . 61.43 110.652 177.782 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.611 ' HA ' HD12 ' A' ' 135' ' ' LEU . 83.1 mttt -64.64 -35.3 80.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.219 -0.446 . . . . 73.030000000000001 111.02 177.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 48.8 m -61.24 -39.42 90.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.633 0.254 . . . . 62.450000000000003 110.447 177.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.5 -21.32 60.44 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.047 -0.524 . . . . 41.219999999999999 110.954 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 132' ' ' LYS . 66.3 mt -80.28 -16.44 54.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.274 0.559 . . . . 64.200000000000003 109.607 177.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.31 15.9 54.5 Favored Glycine 0 N--CA 1.439 -1.104 0 CA-C-N 115.303 -0.862 . . . . 53.140000000000001 111.576 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.508 ' HB ' ' HB3' ' A' ' 132' ' ' LYS . 50.7 mm . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.118 0.485 . . . . 62.340000000000003 110.781 -177.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.7 t0 . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 108.563 -0.903 . . . . 63.219999999999999 108.563 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -121.54 10.93 10.52 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.029 -0.532 . . . . 62.229999999999997 110.119 -176.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.39 127.53 36.22 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.881 -0.6 . . . . 74.430000000000007 112.034 -168.192 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -70.97 127.36 32.33 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.651 -0.87 . . . . 74.200000000000003 108.651 170.676 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.585 ' CE1' ' HG2' ' A' ' 28' ' ' LYS . 42.7 m-85 -91.28 133.59 35.29 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.537 0.569 . . . . 74.349999999999994 112.537 -166.687 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -85.88 89.96 7.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.89 -1.05 . . . . 55.520000000000003 109.005 171.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.965 ' HB ' HG22 ' A' ' 74' ' ' ILE . 61.0 t -93.0 134.16 31.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 116.301 -0.409 . . . . 42.210000000000001 109.917 -172.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -111.29 141.91 44.2 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.579 0.704 . . . . 70.040000000000006 112.044 -173.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.713 HG22 ' H ' ' A' ' 12' ' ' ASP . 3.6 m -143.91 -171.42 3.54 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.76 -1.57 . . . . 71.239999999999995 106.76 172.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.713 ' H ' HG22 ' A' ' 11' ' ' THR . 24.8 t70 -81.47 153.11 27.03 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.081 -0.711 . . . . 73.120000000000005 109.081 173.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.78 -32.69 78.39 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.057 -0.592 . . . . 74.329999999999998 114.271 -173.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 p -143.48 172.52 12.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.421 0.61 . . . . 74.209999999999994 111.945 -172.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -73.84 131.81 41.9 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.006 -0.739 . . . . 73.299999999999997 109.006 175.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.42 HG21 ' HE3' ' A' ' 132' ' ' LYS . 9.3 p -99.24 131.0 47.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.192 0.52 . . . . 72.099999999999994 111.047 -173.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.9 m120 57.99 26.97 14.13 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.467 -0.788 . . . . 74.400000000000006 111.599 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.77 3.0 90.43 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.026 -0.607 . . . . 53.130000000000003 113.044 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.575 ' HB3' HD22 ' A' ' 135' ' ' LEU . 18.7 mm-40 -103.12 143.24 32.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.042 0.449 . . . . 60.149999999999999 110.872 -178.718 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -128.33 146.38 50.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.812 -0.631 . . . . 73.239999999999995 111.117 -177.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 38' ' ' ASP . . . -152.69 166.14 33.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.523 -0.762 . . . . 72.0 109.238 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -98.65 130.75 45.17 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.512 -0.475 . . . . 63.420000000000002 109.842 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.35 145.43 6.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.161 -0.472 . . . . 73.319999999999993 110.905 -177.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.419 ' HB2' ' CG1' ' A' ' 9' ' ' VAL . 44.2 p90 -167.28 140.23 3.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.941 -0.572 . . . . 73.140000000000001 109.698 174.006 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.477 ' HB2' ' HB3' ' A' ' 35' ' ' GLU . . . -108.51 116.7 32.46 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.295 -0.411 . . . . 74.409999999999997 110.269 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -84.59 107.89 17.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.864 0.84 . . . . 72.450000000000003 111.313 -176.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 p -92.65 129.89 42.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 114.781 -1.1 . . . . 71.019999999999996 110.462 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.585 ' HG2' ' CE1' ' A' ' 7' ' ' TYR . 25.6 mtpp -134.6 127.57 31.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.9 -0.591 . . . . 70.329999999999998 110.223 -176.751 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.0 t70 63.98 24.88 13.74 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.752 -0.658 . . . . 74.129999999999995 111.099 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.62 -15.82 61.4 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.734 -0.746 . . . . 54.439999999999998 113.091 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -112.74 161.13 17.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.059 0.457 . . . . 73.439999999999998 110.75 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -106.67 126.51 62.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.092 -0.504 . . . . 73.040000000000006 109.939 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 -83.91 -59.02 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.5 -0.318 . . . . 63.109999999999999 111.19 -177.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -139.66 145.91 39.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.644 0.259 . . . . 73.219999999999999 111.326 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.477 ' HB3' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -139.83 132.92 29.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.775 -0.648 . . . . 70.540000000000006 110.489 174.628 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.561 ' HB2' ' HB ' ' A' ' 51' ' ' VAL . 34.3 t0 -162.42 171.32 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.817 -0.438 . . . . 72.239999999999995 109.817 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -148.94 152.37 36.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.361 -0.381 . . . . 71.109999999999999 110.524 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.47 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 22.6 t70 -147.28 157.2 43.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.473 -0.33 . . . . 64.430000000000007 110.4 176.778 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.7 m -106.9 130.34 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-O 121.288 0.565 . . . . 73.120000000000005 111.674 -176.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.63 -164.03 28.88 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.89 -0.671 . . . . 70.030000000000001 112.333 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -141.13 112.52 7.45 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 122.173 0.189 . . . . 75.019999999999996 110.782 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.582 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 87.5 m-20 -130.13 142.07 44.11 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-O 120.735 0.302 . . . . 62.299999999999997 110.369 176.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 42' ' ' ASN . 6.8 Cg_exo -75.77 -55.55 0.07 OUTLIER 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 123.174 2.583 . . . . 63.030000000000001 112.943 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.21 -24.51 47.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.18 0.514 . . . . 73.129999999999995 110.986 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.582 ' HB3' ' HB2' ' A' ' 42' ' ' ASN . . . -86.79 8.93 20.69 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.813 -0.631 . . . . 62.119999999999997 111.414 -177.843 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.59 -27.27 2.68 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.874 0.694 . . . . 71.219999999999999 112.874 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.414 HG22 ' HA2' ' A' ' 53' ' ' GLY . 16.0 p -80.87 -59.61 2.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.96 0.41 . . . . 74.019999999999996 110.179 174.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 2.5 tpt 68.14 -68.54 0.17 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.692 1.197 . . . . 72.140000000000001 112.435 170.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 49' ' ' ARG . 13.9 mtm180 -104.95 -85.59 0.48 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.356 -0.384 . . . . 75.109999999999999 111.219 -172.14 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -165.49 -53.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.617 0.246 . . . . 64.310000000000002 110.995 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.561 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 36.9 t -73.88 -39.8 52.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.864 0.364 . . . . 72.219999999999999 110.076 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.64 -23.61 52.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.975 -0.557 . . . . 71.329999999999998 111.083 174.038 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.414 ' HA2' HG22 ' A' ' 47' ' ' THR . . . -62.34 -37.13 94.09 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.775 -0.726 . . . . 34.140000000000001 111.701 175.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -72.24 -36.93 69.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.186 0.517 . . . . 73.329999999999998 109.795 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.19 -38.18 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.401 -0.818 . . . . 73.450000000000003 110.969 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.31 -35.73 67.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.33 -0.395 . . . . 41.399999999999999 111.215 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.89 -39.72 42.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 73.099999999999994 110.8 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.69 -31.22 72.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.034 -0.53 . . . . 73.510000000000005 110.926 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.2 tp -63.57 -34.32 77.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.113 -0.494 . . . . 63.219999999999999 110.68 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -68.04 -31.01 70.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 73.299999999999997 109.784 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.77 -31.09 71.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 63.310000000000002 110.183 175.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 110' ' ' TYR . 43.5 t -72.15 -36.36 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.964 -0.562 . . . . 54.109999999999999 109.965 176.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.419 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 1.2 tmtp? -61.83 -40.29 94.76 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.263 -0.643 . . . . 75.239999999999995 109.263 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -62.69 -31.51 72.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.579 -0.737 . . . . 75.409999999999997 111.379 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.98 -28.43 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.093 0.405 . . . . 74.140000000000001 112.093 -176.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.1 p -61.36 -34.62 75.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.864 0.364 . . . . 71.129999999999995 110.779 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -70.01 -38.29 75.91 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.916 -0.584 . . . . 64.329999999999998 110.932 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.7 mp -79.19 -25.22 42.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.11 -0.496 . . . . 73.109999999999999 110.763 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.76 25.7 31.67 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.888 -0.673 . . . . 74.310000000000002 112.065 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.1 m -112.03 143.12 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.808 0.337 . . . . 74.120000000000005 110.154 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -119.59 153.8 34.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.351 -0.386 . . . . 72.140000000000001 110.089 -177.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.777 HD11 ' HD1' ' A' ' 110' ' ' TYR . 2.7 pp -114.52 146.15 19.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.502 -0.555 . . . . 74.019999999999996 109.502 177.863 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -112.3 102.6 10.74 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.881 0.372 . . . . 65.030000000000001 111.469 -175.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.965 HG22 ' HB ' ' A' ' 9' ' ' VAL . 2.3 pp . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 108.763 -0.828 . . . . 71.140000000000001 108.763 171.587 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.504 ' NH2' ' HA ' ' A' ' 111' ' ' SER . 11.8 mmp_? . . . . . 0 CA--C 1.523 -0.085 0 CA-C-O 120.856 0.36 . . . . 75.409999999999997 110.608 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.87 -81.47 0.28 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.46 -0.876 . . . . 72.230000000000004 112.294 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.779 ' H ' HD13 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -78.99 -29.76 14.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 111.634 0.235 . . . . 73.439999999999998 111.634 -177.212 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.777 ' HD1' HD11 ' A' ' 72' ' ' ILE . 83.8 t80 -139.49 144.01 37.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.183 0.516 . . . . 62.229999999999997 111.001 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.504 ' HA ' ' NH2' ' A' ' 107' ' ' ARG . 33.6 m -156.36 170.89 21.24 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.43 -0.952 . . . . 61.009999999999998 108.43 177.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -126.74 136.87 53.01 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.591 -1.262 . . . . 75.120000000000005 107.591 171.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -132.3 153.93 50.2 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.493 0.923 . . . . 74.420000000000002 113.493 -171.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.759 ' H ' ' HE3' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -105.36 97.41 7.25 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 113.89 -1.505 . . . . 64.219999999999999 109.121 -177.242 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 25.4 m -108.63 145.68 15.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.264 0.554 . . . . 74.040000000000006 110.912 -175.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 116' ' ' LYS . 42.1 tptt -102.73 84.75 2.45 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.759 -0.83 . . . . 74.099999999999994 108.759 175.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -131.49 153.15 50.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.957 -0.565 . . . . 64.510000000000005 111.321 -174.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -119.15 15.62 13.2 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.76 0.79 . . . . 74.319999999999993 108.932 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.9 t -86.81 35.19 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.193 -0.912 . . . . 74.400000000000006 110.664 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -58.87 106.54 0.91 Allowed Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.652 -0.579 . . . . 72.400000000000006 111.652 177.209 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -72.81 163.43 28.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.723 -0.238 . . . . 72.239999999999995 110.497 -178.391 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.68 -25.27 67.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.618 0.247 . . . . 64.340000000000003 111.471 -177.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -70.81 -26.72 63.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 72.439999999999998 111.063 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -59.14 -27.57 65.76 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.137 -0.483 . . . . 50.350000000000001 111.461 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -54.13 -31.96 53.82 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.347 0.404 . . . . 71.540000000000006 111.355 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -69.45 -54.24 15.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.46 -0.336 . . . . 71.319999999999993 111.249 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.412 HG11 ' HA ' ' A' ' 11' ' ' THR . 12.4 p -68.34 -26.69 34.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.972 0.415 . . . . 53.420000000000002 110.233 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.41 -54.89 22.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.897 -0.592 . . . . 70.420000000000002 111.075 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -61.59 -33.1 73.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.753 0.311 . . . . 75.340000000000003 110.645 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -68.65 -50.63 49.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.323 -0.399 . . . . 64.099999999999994 110.683 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.35 -46.45 83.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.354 -0.385 . . . . 63.520000000000003 111.356 -178.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.42 ' HE3' HG21 ' A' ' 16' ' ' VAL . 46.7 mttp -60.01 -45.64 92.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.353 -0.385 . . . . 73.230000000000004 111.747 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.7 t -65.39 -34.81 79.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.616 0.246 . . . . 74.319999999999993 110.619 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.08 -24.21 64.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 51.140000000000001 111.165 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.575 HD22 ' HB3' ' A' ' 19' ' ' GLN . 96.6 mt -92.91 3.94 54.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.067 -0.515 . . . . 62.25 110.115 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.15 12.38 82.44 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.617 -0.72 . . . . 75.239999999999995 112.645 177.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 63.9 mt . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 120.94 0.4 . . . . 72.439999999999998 110.579 -177.849 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.468 0.473 0 CA-C-O 121.248 0.547 . . . . 65.430000000000007 110.309 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -128.09 8.59 6.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.065 -0.516 . . . . 72.430000000000007 112.116 -170.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.0 t -145.19 118.86 9.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.921 0.391 . . . . 72.129999999999995 111.446 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 59.47 98.36 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.592 -0.731 . . . . 75.0 111.921 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.74 ' HB2' HG22 ' A' ' 72' ' ' ILE . 93.2 m-85 -92.15 157.52 16.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.833 -0.621 . . . . 74.510000000000005 110.844 -178.075 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -92.61 116.67 29.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.713 -0.676 . . . . 74.299999999999997 111.028 -177.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.405 ' HB ' HD13 ' A' ' 72' ' ' ILE . 88.5 t -125.88 111.96 28.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.176 -0.676 . . . . 62.420000000000002 109.176 173.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.52 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 90.4 m-85 -97.33 148.87 22.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.029 0.443 . . . . 75.310000000000002 110.91 -176.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.9 m -151.07 137.73 18.81 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.691 -0.686 . . . . 72.0 109.233 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -163.03 77.24 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.282 -0.636 . . . . 73.519999999999996 109.282 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.78 ' HA2' ' HA ' ' A' ' 115' ' ' VAL . . . 107.37 156.17 19.98 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.617 -0.72 . . . . 64.549999999999997 112.218 -177.179 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.475 ' H ' HG22 ' A' ' 115' ' ' VAL . 70.0 m -158.48 -51.13 0.06 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.178 -0.675 . . . . 71.099999999999994 109.178 177.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.78 ' HB3' ' HD1' ' A' ' 20' ' ' TYR . 39.1 p90 -110.57 164.19 12.97 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.766 -0.652 . . . . 71.319999999999993 109.357 173.436 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.504 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 5.8 p -142.57 111.73 2.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.172 0.51 . . . . 72.439999999999998 109.847 174.336 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.7 m120 57.74 36.36 26.46 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.699 -0.682 . . . . 64.319999999999993 111.659 -178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.2 -26.26 25.25 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.93 -0.577 . . . . 62.299999999999997 114.384 172.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 29.3 pt20 -82.49 126.39 32.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 118.221 1.01 . . . . 54.229999999999997 109.002 176.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.78 ' HD1' ' HB3' ' A' ' 15' ' ' TYR . 73.2 t80 -116.25 137.34 52.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.483 0.659 . . . . 71.329999999999998 112.356 -167.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.07 151.57 51.29 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.21 -1.033 . . . . 74.209999999999994 108.21 169.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.651 ' HZ2' ' HG3' ' A' ' 49' ' ' ARG . 27.4 p-90 -100.15 128.61 46.2 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.072 -0.651 . . . . 75.219999999999999 110.1 179.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . . . -154.69 135.45 13.61 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.496 -0.774 . . . . 52.009999999999998 110.33 -176.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -146.32 138.05 24.8 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.336 -0.616 . . . . 73.129999999999995 109.336 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . . . -91.29 101.26 13.96 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.055 0.455 . . . . 63.219999999999999 110.672 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.33 100.16 12.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.675 -0.693 . . . . 65.329999999999998 109.19 174.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 31' ' ' LYS . 2.4 p -127.81 128.01 68.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.612 -0.722 . . . . 73.450000000000003 111.112 -172.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 30.8 ttmt -106.99 128.31 54.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.996 -0.547 . . . . 55.439999999999998 110.157 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.8 t70 66.89 11.37 8.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.705 -0.68 . . . . 71.219999999999999 111.685 172.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.0 14.21 55.18 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.66 -0.781 . . . . 65.140000000000001 113.123 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -126.91 138.75 53.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.177 0.513 . . . . 65.409999999999997 110.58 175.866 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.3 t -90.85 123.96 43.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.923 -0.58 . . . . 65.219999999999999 110.58 -176.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -75.84 -40.72 54.29 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.076 0.399 . . . . 75.230000000000004 112.076 -177.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -144.82 147.13 32.51 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.75 -0.463 . . . . 73.040000000000006 109.75 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -109.06 120.9 43.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.389 -0.369 . . . . 33.140000000000001 111.125 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -174.34 173.08 3.08 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.184 0.516 . . . . 75.209999999999994 111.574 173.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 23' ' ' ALA . . . 175.09 103.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.968 1.307 . . . . 73.409999999999997 107.723 -174.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -112.02 168.01 9.93 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.243 -0.583 . . . . 61.329999999999998 111.972 -167.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.9 m -102.79 -176.33 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 115.675 -0.693 . . . . 64.400000000000006 110.642 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.67 51.13 21.72 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.756 -0.735 . . . . 73.030000000000001 112.191 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -66.73 95.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.113 0.483 . . . . 71.299999999999997 109.934 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.451 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 49.3 m-80 -145.85 148.19 35.15 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.92 -0.77 . . . . 60.149999999999999 108.92 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.18 -49.05 13.5 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.991 2.461 . . . . 73.0 113.047 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.57 -41.51 31.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.874 0.368 . . . . 75.540000000000006 111.124 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' ' 42' ' ' ASN . . . -66.56 -41.61 88.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 63.43 111.821 -175.094 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.12 -34.88 77.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.508 -0.315 . . . . 71.140000000000001 110.892 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 m -71.29 -26.47 62.88 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.203 0.525 . . . . 64.450000000000003 110.368 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.9 mtm -88.05 29.0 0.97 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.215 0.531 . . . . 70.150000000000006 110.973 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.651 ' HG3' ' HZ2' ' A' ' 22' ' ' TRP . 2.2 mmp_? -108.52 130.82 55.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.263 -0.643 . . . . 72.209999999999994 109.263 173.545 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -70.05 -26.31 63.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.324 0.583 . . . . 54.420000000000002 110.382 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.2 t -72.59 -29.36 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.768 -0.651 . . . . 72.439999999999998 110.497 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . . . -63.88 -15.04 58.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.575 -0.739 . . . . 73.329999999999998 112.875 -172.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.04 -49.24 50.06 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.114 -0.565 . . . . 72.439999999999998 112.533 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.49 -31.86 67.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.807 0.336 . . . . 71.329999999999998 110.527 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.5 mm -62.19 -44.54 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.047 -0.524 . . . . 74.310000000000002 110.219 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.61 93.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.85 -0.614 . . . . 63.229999999999997 110.564 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.44 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . . . -63.53 -38.93 93.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 62.399999999999999 110.554 178.291 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -64.31 -34.72 78.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 44.310000000000002 110.715 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.34 -44.76 92.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 74.319999999999993 109.686 177.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.44 ' CD2' ' HA ' ' A' ' 57' ' ' ALA . 17.2 m-85 -65.48 -39.65 92.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.102 -0.499 . . . . 75.25 110.222 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.66 -46.94 87.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.84 -0.618 . . . . 75.120000000000005 111.013 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 58' ' ' ALA . 94.8 t -64.78 -36.55 77.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.075 0.464 . . . . 54.310000000000002 110.441 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -65.3 -38.32 89.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.902 -0.59 . . . . 72.109999999999999 110.39 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -70.86 -38.05 73.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.074 -0.512 . . . . 74.099999999999994 110.665 176.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.415 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -56.86 -32.02 65.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 62.039999999999999 110.983 179.418 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -60.01 -34.55 73.5 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.743 -0.662 . . . . 72.239999999999995 110.788 178.296 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -76.72 -38.83 53.61 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.888 0.375 . . . . 71.340000000000003 110.813 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.7 -13.77 61.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 71.129999999999995 110.936 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.19 27.4 44.77 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.835 -0.697 . . . . 65.420000000000002 112.179 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.415 HG23 ' HB1' ' A' ' 65' ' ' ALA . 30.9 m -126.01 173.01 12.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 110.079 -0.341 . . . . 54.310000000000002 110.079 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.542 ' HB2' ' HA ' ' A' ' 109' ' ' ILE . 0.0 OUTLIER -153.26 -173.18 4.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.879 0.371 . . . . 75.530000000000001 110.48 179.462 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.74 HG22 ' HB2' ' A' ' 7' ' ' TYR . 2.8 pp -108.43 162.32 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.815 -0.629 . . . . 75.109999999999999 109.388 173.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -77.83 115.59 17.7 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.234 -0.586 . . . . 73.400000000000006 110.011 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.524 HG22 ' HA ' ' A' ' 111' ' ' SER . 2.4 pp . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.819 -0.628 . . . . 72.209999999999994 111.182 -177.069 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.447 ' HD2' ' HE1' ' A' ' 112' ' ' PHE . 27.1 mmt180 . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 109.341 -0.615 . . . . 74.140000000000001 109.341 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 122.22 -21.01 7.87 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.407 -0.901 . . . . 71.450000000000003 111.851 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.542 ' HA ' ' HB2' ' A' ' 71' ' ' LYS . 51.6 mt -79.02 -29.24 13.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.346 0.594 . . . . 64.450000000000003 109.967 177.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -127.17 156.6 41.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.516 -0.765 . . . . 71.239999999999995 109.599 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.524 ' HA ' HG22 ' A' ' 74' ' ' ILE . 15.5 t -74.18 155.66 38.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.964 0.411 . . . . 64.140000000000001 110.51 -175.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.447 ' HE1' ' HD2' ' A' ' 107' ' ' ARG . 36.6 m-85 -103.07 151.78 22.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.136 -0.483 . . . . 70.310000000000002 110.407 -176.008 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -96.17 98.38 10.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.861 0.839 . . . . 65.400000000000006 110.756 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -131.66 143.87 50.61 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.287 -0.869 . . . . 75.209999999999994 109.207 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' VAL . . . . . 0.78 ' HA ' ' HA2' ' A' ' 13' ' ' GLY . 95.8 t -95.89 121.46 46.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.291 0.567 . . . . 62.210000000000001 111.592 -176.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 116' ' ' LYS . 30.7 mmtm -147.56 172.21 14.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.641 -1.163 . . . . 75.329999999999998 107.92 172.428 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -140.44 40.66 1.9 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.898 0.38 . . . . 60.210000000000001 110.602 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -143.25 4.91 1.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.386 -0.37 . . . . 61.009999999999998 110.934 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.66 2.49 18.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.622 0.725 . . . . 75.430000000000007 109.385 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLY . . . . . 0.438 ' HA2' ' OD1' ' A' ' 124' ' ' ASN . . . -81.29 90.67 1.42 Allowed Glycine 0 N--CA 1.439 -1.109 0 CA-C-N 114.918 -1.037 . . . . 73.299999999999997 112.614 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -64.84 173.94 2.07 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.73 -0.47 . . . . 62.420000000000002 109.73 173.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -45.33 -53.79 8.04 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.995 0.739 . . . . 72.150000000000006 112.995 -174.592 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -76.42 -26.84 55.94 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.336 -0.393 . . . . 64.099999999999994 111.55 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.438 ' OD1' ' HA2' ' A' ' 120' ' ' GLY . 2.3 t-20 -76.33 -42.27 45.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.952 0.406 . . . . 71.349999999999994 110.719 -177.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.52 -28.26 68.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.146 0.498 . . . . 72.540000000000006 110.518 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.412 ' O ' ' HB3' ' A' ' 129' ' ' MET . 53.6 t80 -64.32 -32.17 73.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.901 -0.591 . . . . 65.209999999999994 110.805 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.446 HG21 ' HB2' ' A' ' 25' ' ' ALA . 44.2 t -65.51 -44.12 94.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.975 0.417 . . . . 72.349999999999994 109.909 177.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.22 -30.71 71.8 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.925 -0.58 . . . . 42.020000000000003 110.649 176.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.412 ' HB3' ' O ' ' A' ' 126' ' ' TYR . 49.4 ttm -58.84 -39.79 82.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.853 -0.612 . . . . 74.209999999999994 110.493 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 11.9 tmtt? -78.73 -36.93 42.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.515 -0.311 . . . . 73.209999999999994 110.22 176.575 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.29 -52.08 56.53 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.662 0.616 . . . . 63.32 112.662 -174.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -66.16 -30.89 71.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.77 0.319 . . . . 74.129999999999995 111.247 -177.172 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 55.6 m -71.32 -29.08 64.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.887 0.375 . . . . 64.340000000000003 110.87 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.61 -20.76 65.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.201 0.524 . . . . 54.520000000000003 110.223 175.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 85.8 mt -88.37 -7.1 57.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.606 -0.724 . . . . 73.030000000000001 109.836 177.366 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 96.02 18.04 33.02 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.898 -0.668 . . . . 62.119999999999997 112.853 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 61.3 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 122.809 -0.23 . . . . 75.010000000000005 110.931 -178.312 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.447 -0.617 0 CA-C-O 121.675 0.75 . . . . 74.530000000000001 109.658 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -108.56 -0.72 20.16 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.073 -0.967 . . . . 71.040000000000006 110.382 -175.005 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.1 p -73.16 146.47 45.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.617 -0.719 . . . . 65.420000000000002 111.391 -178.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -62.91 137.49 58.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.877 -0.601 . . . . 63.119999999999997 110.111 174.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.876 ' HB2' HG22 ' A' ' 72' ' ' ILE . 57.5 m-85 -72.95 137.66 45.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.146 0.498 . . . . 61.210000000000001 111.354 -174.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -116.24 134.06 55.33 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.258 -1.015 . . . . 63.25 108.258 173.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.69 119.17 51.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.53 0.681 . . . . 72.310000000000002 111.044 -173.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' A' ' 123' ' ' PHE . 42.5 m-85 -106.39 144.46 33.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.867 -0.606 . . . . 73.239999999999995 110.979 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 t -140.74 101.85 4.17 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.73 -0.668 . . . . 61.299999999999997 109.748 177.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -91.4 136.57 33.02 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.155 0.503 . . . . 74.530000000000001 110.47 -176.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.01 31.43 1.86 Allowed Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 110.369 -1.092 . . . . 53.32 110.369 175.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.0 t -85.93 103.54 14.74 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.162 -0.519 . . . . 75.319999999999993 110.453 -175.177 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.678 ' HB3' ' HB3' ' A' ' 20' ' ' TYR . 19.0 p90 -60.29 133.82 56.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.882 -0.599 . . . . 75.150000000000006 110.803 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.463 HG11 ' HE3' ' A' ' 132' ' ' LYS . 8.5 p -125.06 132.32 71.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.855 -0.612 . . . . 64.519999999999996 110.081 -177.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.5 m120 59.65 27.72 17.01 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.157 -0.474 . . . . 74.420000000000002 110.915 -176.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.6 -0.42 88.21 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.942 -0.647 . . . . 71.230000000000004 113.029 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -112.6 126.69 55.63 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.59 -0.359 . . . . 74.319999999999993 110.69 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.678 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 32.6 p90 -103.48 159.91 15.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.106 -0.497 . . . . 75.019999999999996 111.339 -176.096 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.99 169.85 22.5 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.654 -0.869 . . . . 62.43 108.654 176.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.413 ' HH2' ' HB2' ' A' ' 49' ' ' ARG . 22.1 p-90 -137.32 129.72 29.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.137 0.494 . . . . 71.010000000000005 110.272 176.26 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -144.5 151.93 39.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.768 -0.651 . . . . 74.340000000000003 111.108 -174.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -122.7 138.44 54.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.206 -0.452 . . . . 74.150000000000006 110.611 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.557 ' HB2' ' HB ' ' A' ' 127' ' ' VAL . . . -131.69 109.24 10.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.771 -0.65 . . . . 41.399999999999999 110.34 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -99.14 107.28 19.6 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.466 -0.568 . . . . 72.400000000000006 109.466 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 p -110.72 139.17 35.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.331 0.586 . . . . 51.439999999999998 111.491 -175.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' HD2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -143.87 134.26 24.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.482 -0.781 . . . . 71.120000000000005 109.594 177.358 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.5 t70 63.98 8.8 4.15 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.398 0.618 . . . . 72.420000000000002 111.781 175.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.93 -6.6 64.39 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.868 -0.682 . . . . 62.020000000000003 111.745 -177.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -104.95 159.05 16.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.864 0.364 . . . . 64.430000000000007 110.307 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.7 t -85.96 118.16 32.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.257 -0.429 . . . . 75.129999999999995 110.4 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -87.0 -38.72 16.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.151 -0.477 . . . . 63.119999999999997 109.997 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -153.58 142.99 21.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.908 -0.587 . . . . 73.030000000000001 110.15 175.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -145.94 139.74 26.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.305 -0.407 . . . . 74.25 110.146 177.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -167.04 146.29 5.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.58 -0.526 . . . . 75.329999999999998 109.58 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -141.95 134.85 28.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.634 -0.257 . . . . 52.210000000000001 111.056 -176.722 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -138.06 174.96 10.01 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.605 -0.517 . . . . 55.229999999999997 109.605 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.8 m -128.99 168.33 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-O 120.751 0.31 . . . . 62.520000000000003 111.246 -175.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.22 122.08 0.34 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.976 -0.63 . . . . 53.439999999999998 113.044 175.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' N ' ' HE1' ' A' ' 20' ' ' TYR . 58.9 mtpt -111.57 87.73 2.62 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.434 -0.58 . . . . 71.329999999999998 109.434 176.482 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -126.68 153.54 75.62 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.288 -0.869 . . . . 64.010000000000005 110.122 -177.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.52 -26.82 83.65 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.527 2.151 . . . . 50.039999999999999 112.122 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.23 -25.5 63.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 72.439999999999998 111.113 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.27 3.98 19.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.344 -0.389 . . . . 71.439999999999998 111.026 -177.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.73 -35.26 33.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.373 -0.376 . . . . 61.210000000000001 110.851 178.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.2 m -90.33 -35.1 15.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.03 0.443 . . . . 71.120000000000005 111.066 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.9 ptm -118.03 80.08 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.46 0.648 . . . . 74.239999999999995 111.245 -175.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.422 ' C ' ' H ' ' A' ' 51' ' ' VAL . 14.5 ptt180 -132.42 -24.24 2.05 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.746 -0.661 . . . . 73.0 111.033 176.214 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 73.08 -30.68 0.21 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.56 0.744 . . . . 74.239999999999995 112.085 175.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.422 ' H ' ' C ' ' A' ' 49' ' ' ARG . 45.2 t -50.61 -27.49 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 123.816 0.847 . . . . 73.140000000000001 112.006 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.54 -30.3 12.69 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.258 0.466 . . . . 72.420000000000002 112.258 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.87 -35.47 58.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.82 -0.705 . . . . 74.099999999999994 112.179 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -71.29 -44.78 64.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.718 0.294 . . . . 72.230000000000004 110.958 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.2 pt -69.09 -31.37 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.851 0.358 . . . . 62.299999999999997 110.94 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.86 -39.38 90.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.289 -0.414 . . . . 75.549999999999997 110.299 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.41 73.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.055 -0.52 . . . . 62.200000000000003 110.604 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.537 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -66.36 -36.64 83.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.969 -0.56 . . . . 63.439999999999998 110.509 176.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.25 -43.21 95.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 71.329999999999998 110.436 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -64.6 -33.9 77.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 72.540000000000006 110.403 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.67 -37.04 85.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 64.519999999999996 110.733 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 58' ' ' ALA . 91.4 t -61.54 -39.02 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-O 121.171 0.51 . . . . 72.239999999999995 110.37 176.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.97 -40.18 95.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.725 -0.67 . . . . 73.109999999999999 110.588 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -73.71 -33.6 64.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.036 -0.529 . . . . 74.430000000000007 110.653 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.62 -27.79 51.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.886 -0.597 . . . . 60.520000000000003 111.965 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.3 t -56.11 -36.66 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.412 -0.358 . . . . 72.239999999999995 110.739 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -71.16 -30.67 66.74 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.139 -0.482 . . . . 60.200000000000003 111.06 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.6 mp -89.71 -17.22 28.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.22 -0.445 . . . . 62.530000000000001 110.906 -177.743 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.33 47.24 23.45 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.96 -0.638 . . . . 75.519999999999996 112.004 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.8 m -129.49 168.65 22.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 110.322 -0.251 . . . . 74.310000000000002 110.322 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.527 ' HE2' ' O ' ' A' ' 108' ' ' GLY . 15.8 ptpt -131.04 173.53 10.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.488 -0.324 . . . . 64.150000000000006 110.613 -179.101 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.876 HG22 ' HB2' ' A' ' 7' ' ' TYR . 16.1 pt -131.47 153.75 39.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 116.439 -0.346 . . . . 53.140000000000001 110.509 173.692 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 73' ' ' ARG . 46.8 mtp180 -96.92 102.18 13.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 61.340000000000003 110.41 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 112' ' ' PHE . 33.6 mt . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 116.693 -0.231 . . . . 62.100000000000001 110.804 -175.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.56 ' HA ' ' CE1' ' A' ' 110' ' ' TYR . 28.7 ttt180 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 121.055 0.455 . . . . 73.540000000000006 110.657 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLY . . . . . 0.527 ' O ' ' HE2' ' A' ' 71' ' ' LYS . . . 122.12 -38.44 2.59 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.76 -0.936 . . . . 64.019999999999996 110.76 -175.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.1 mt -73.19 -39.27 56.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.837 0.827 . . . . 73.420000000000002 109.175 174.519 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.56 ' CE1' ' HA ' ' A' ' 107' ' ' ARG . 36.2 p90 -104.33 145.49 30.17 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.299 -0.864 . . . . 64.530000000000001 109.047 173.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 27.5 p -159.16 141.76 14.06 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.332 -0.618 . . . . 60.340000000000003 109.332 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 74' ' ' ILE . 67.4 m-85 -101.89 136.46 41.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.905 0.383 . . . . 75.040000000000006 110.028 -177.425 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -138.06 140.49 40.06 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.136 -0.484 . . . . 64.400000000000006 109.771 -177.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.417 ' H ' ' HG2' ' A' ' 114' ' ' LYS . 17.7 pttt -84.82 128.02 34.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.87 0.367 . . . . 74.319999999999993 110.986 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.9 p -131.61 112.33 20.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.382 0.611 . . . . 71.109999999999999 110.757 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -153.1 95.63 1.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.534 -0.913 . . . . 63.229999999999997 108.534 177.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -155.45 158.79 39.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.022 -0.536 . . . . 64.010000000000005 110.738 -176.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -92.63 -17.8 23.88 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.906 -0.776 . . . . 72.219999999999999 108.906 173.63 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.3 m -82.45 35.55 0.45 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.151 -0.932 . . . . 50.149999999999999 111.08 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -66.2 144.84 46.82 Favored Glycine 0 N--CA 1.431 -1.636 0 N-CA-C 111.668 -0.573 . . . . 22.039999999999999 111.668 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -67.62 177.02 2.15 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.005 -0.598 . . . . 73.109999999999999 111.368 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -49.1 -47.4 45.25 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.785 -0.643 . . . . 75.129999999999995 112.264 -176.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.429 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 50.4 m-85 -64.77 -26.73 68.48 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.834 -0.621 . . . . 72.5 111.459 -174.327 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.432 HD22 ' C ' ' A' ' 124' ' ' ASN . 0.2 OUTLIER -71.0 -43.37 68.14 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.422 -0.585 . . . . 73.150000000000006 109.422 178.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.439 ' HA ' ' HB3' ' A' ' 128' ' ' ASP . 31.7 t70 -73.43 -29.27 62.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.357 0.598 . . . . 73.140000000000001 110.109 178.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -62.53 -48.77 78.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.507 -0.77 . . . . 72.340000000000003 110.789 177.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.557 ' HB ' ' HB2' ' A' ' 25' ' ' ALA . 8.9 p -74.67 -27.61 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 121.003 0.43 . . . . 74.329999999999998 110.243 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.439 ' HB3' ' HA ' ' A' ' 125' ' ' ASP . 2.0 t70 -60.69 -46.34 90.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.905 -0.589 . . . . 74.019999999999996 110.387 174.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -59.77 -37.33 78.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 54.229999999999997 110.476 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -61.77 -47.42 85.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 72.519999999999996 110.649 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.7 93.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.935 -0.575 . . . . 73.430000000000007 111.363 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.463 ' HE3' HG11 ' A' ' 16' ' ' VAL . 31.6 mttp -59.12 -39.64 82.92 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.487 -0.324 . . . . 61.450000000000003 111.116 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 50.8 m -61.06 -30.79 70.54 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.193 -0.458 . . . . 62.030000000000001 111.265 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.68 -17.75 57.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 61.020000000000003 111.256 178.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 98.1 mt -94.22 -17.43 22.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.272 -0.422 . . . . 72.540000000000006 110.954 -178.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 95.21 -7.3 69.24 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.714 -0.755 . . . . 73.219999999999999 111.408 -176.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 63.2 mt . . . . . 0 C--N 1.326 -0.443 0 N-CA-C 109.104 -0.702 . . . . 52.200000000000003 109.104 177.499 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.404 ' HB3' ' HE1' ' A' ' 7' ' ' TYR . 70.2 m-20 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 112.74 0.645 . . . . 74.349999999999994 112.74 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -121.4 12.52 10.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.519 0.676 . . . . 73.239999999999995 109.902 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.27 175.13 7.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.132 -0.94 . . . . 70.120000000000005 111.0 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.455 ' CD ' ' HD3' ' A' ' 73' ' ' ARG . 32.2 tt0 -71.8 114.07 9.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.236 -0.438 . . . . 75.540000000000006 109.964 178.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.404 ' HE1' ' HB3' ' A' ' 3' ' ' ASP . 42.1 m-85 -73.21 127.79 33.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.969 -0.559 . . . . 75.040000000000006 110.845 -176.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.529 ' O ' HG13 ' A' ' 27' ' ' VAL . 14.6 p-10 -109.29 110.25 21.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.409 0.623 . . . . 71.120000000000005 110.196 177.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.403 HG11 ' HE2' ' A' ' 110' ' ' TYR . 52.4 t -107.99 136.08 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.923 -0.581 . . . . 52.310000000000002 110.629 -175.247 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.53 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 9.2 m-85 -110.67 133.05 53.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.251 0.548 . . . . 70.439999999999998 110.639 177.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.2 m -142.1 140.32 32.47 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.941 -0.762 . . . . 72.239999999999995 108.941 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.741 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -80.35 160.36 25.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.341 0.591 . . . . 71.209999999999994 110.971 -175.9 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.69 ' HA3' ' HA ' ' A' ' 114' ' ' LYS . . . -157.65 30.68 0.51 Allowed Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.214 -1.154 . . . . 73.239999999999995 110.214 174.311 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.8 p -100.16 109.04 21.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.268 0.556 . . . . 70.239999999999995 111.877 -171.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -105.95 126.85 52.68 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.324 -0.621 . . . . 64.409999999999997 109.324 175.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.1 p -146.69 143.59 20.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 110.123 -0.325 . . . . 72.040000000000006 110.123 -177.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.3 m120 60.69 27.2 16.94 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.938 0.495 . . . . 64.439999999999998 110.948 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.59 19.04 68.66 Favored Glycine 0 CA--C 1.52 0.372 0 CA-C-N 116.089 -0.505 . . . . 72.219999999999999 113.141 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.492 ' OE1' ' HB3' ' A' ' 135' ' ' LEU . 8.1 pt20 -131.36 147.61 52.59 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.852 -0.425 . . . . 74.129999999999995 109.852 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -141.68 138.1 32.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.014 0.435 . . . . 62.149999999999999 111.048 -175.018 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.3 141.99 51.76 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.312 -0.996 . . . . 74.209999999999994 108.312 172.21 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 49.5 p-90 -89.81 130.3 36.08 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.509 -0.477 . . . . 65.310000000000002 110.749 -175.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.741 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . . . -126.76 136.53 52.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.014 -0.539 . . . . 71.349999999999994 111.762 -179.023 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -125.59 138.51 53.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 75.140000000000001 109.91 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.614 ' HB2' HG11 ' A' ' 127' ' ' VAL . . . -133.81 104.07 6.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.939 0.4 . . . . 74.310000000000002 110.699 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -92.3 98.38 11.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.435 0.636 . . . . 74.450000000000003 110.025 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 8' ' ' ASP . 1.9 p -115.75 142.05 30.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 114.919 -1.037 . . . . 73.140000000000001 110.13 -176.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -127.75 118.4 23.71 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.59 -0.522 . . . . 75.5 109.59 179.214 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.4 t70 65.9 22.1 11.37 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.759 0.79 . . . . 72.439999999999998 110.373 175.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.96 8.85 64.52 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.638 -0.792 . . . . 62.039999999999999 112.607 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -112.14 121.66 45.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.954 -0.388 . . . . 51.229999999999997 109.954 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.426 HG22 ' HB ' ' A' ' 27' ' ' VAL . 38.6 t -90.7 104.15 15.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.881 -0.6 . . . . 55.100000000000001 109.665 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -30.2 50.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.203 -0.453 . . . . 71.310000000000002 110.48 -175.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -168.67 140.54 2.69 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.877 -0.601 . . . . 74.109999999999999 110.369 176.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.63 162.16 40.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.609 . . . . 73.519999999999996 109.606 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -173.98 171.89 3.54 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.881 0.372 . . . . 74.239999999999995 111.121 175.717 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.19 142.23 17.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.701 -0.681 . . . . 53.0 109.616 -177.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -153.72 176.3 12.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.895 0.379 . . . . 70.049999999999997 110.683 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 m -106.98 168.01 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 115.996 -0.547 . . . . 71.019999999999996 110.856 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.22 81.18 0.4 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.775 -0.726 . . . . 60.109999999999999 112.884 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -77.54 98.95 5.53 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.605 -0.517 . . . . 71.519999999999996 109.605 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -138.06 153.25 73.24 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.024 -0.535 . . . . 75.420000000000002 110.213 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.06 -46.56 32.22 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.92 2.413 . . . . 74.239999999999995 112.368 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.62 -37.6 81.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.529 -0.305 . . . . 61.130000000000003 111.359 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.421 ' HA ' ' HB2' ' A' ' 49' ' ' ARG . . . -67.0 -33.76 76.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 64.439999999999998 111.012 -178.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.39 -16.21 46.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.121 -0.49 . . . . 72.409999999999997 111.298 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.502 HG22 ' HG3' ' A' ' 48' ' ' MET . 26.6 m -95.56 -51.46 4.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.393 -0.367 . . . . 64.349999999999994 111.47 -177.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.502 ' HG3' HG22 ' A' ' 47' ' ' THR . 60.2 mtm -144.49 89.41 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.621 0.248 . . . . 74.400000000000006 110.507 -175.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.457 ' HD2' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -167.47 61.37 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.046 -0.353 . . . . 64.329999999999998 110.046 -178.785 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 64.19 -78.18 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.926 -0.579 . . . . 73.109999999999999 112.283 174.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.5 t -58.73 -29.11 39.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.148 0.499 . . . . 75.209999999999994 110.589 -179.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.4 ' HA ' HG12 ' A' ' 55' ' ' ILE . . . -53.19 -29.45 32.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.235 -0.893 . . . . 72.310000000000002 112.162 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.27 98.87 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.548 -0.834 . . . . 61.109999999999999 112.229 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -65.32 -46.12 81.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.955 0.407 . . . . 74.209999999999994 110.931 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.4 HG12 ' HA ' ' A' ' 52' ' ' ALA . 27.2 pt -73.16 -32.62 39.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.305 -0.407 . . . . 74.030000000000001 111.629 -176.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.43 98.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.967 0.413 . . . . 74.099999999999994 110.353 175.45 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.434 ' HA ' ' HD2' ' A' ' 60' ' ' TYR . . . -65.8 -37.74 87.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.993 -0.548 . . . . 63.340000000000003 110.655 177.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.87 -32.7 72.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.976 -0.557 . . . . 64.209999999999994 110.984 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.0 tp -61.81 -35.94 79.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.106 -0.497 . . . . 71.319999999999993 110.497 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.526 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 33.6 m-85 -60.3 -37.07 79.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.079 -0.51 . . . . 73.439999999999998 110.644 177.123 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.31 -35.79 80.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 75.049999999999997 110.645 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.5 t -72.21 -36.24 55.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.233 0.539 . . . . 52.030000000000001 110.142 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 7.6 tmtm? -62.9 -32.99 74.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.615 -0.721 . . . . 63.530000000000001 109.879 177.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 60' ' ' TYR . 94.8 mttt -73.02 -38.76 66.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.097 -0.501 . . . . 71.129999999999995 110.419 175.452 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.55 -44.37 85.16 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.535 -0.757 . . . . 65.409999999999997 112.472 -173.596 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.9 p -62.32 -35.46 79.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.981 0.419 . . . . 62.100000000000001 111.203 -177.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -83.18 -28.42 29.34 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.238 -0.437 . . . . 73.519999999999996 110.764 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.2 tp -76.02 -20.4 57.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.983 -0.553 . . . . 33.25 110.555 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.55 34.16 12.27 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.886 -0.673 . . . . 62.450000000000003 111.766 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.59 170.31 19.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.011 0.434 . . . . 64.209999999999994 110.363 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.521 ' HA ' HG23 ' A' ' 109' ' ' ILE . 19.8 ptpt -153.18 179.16 8.98 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.268 -0.642 . . . . 72.230000000000004 109.268 179.104 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -108.0 145.24 15.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 108.741 -0.837 . . . . 65.439999999999998 108.741 172.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.455 ' HD3' ' CD ' ' A' ' 6' ' ' GLU . 63.8 mtp180 -84.31 109.26 17.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.37 0.605 . . . . 65.120000000000005 110.443 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 pt . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 114.519 -1.219 . . . . 63.439999999999998 112.45 -172.344 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.438 ' HG3' ' HB3' ' A' ' 111' ' ' SER . 72.8 ttt180 . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.938 0.399 . . . . 72.5 110.329 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 148.16 -65.92 0.4 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.839 -0.696 . . . . 21.41 111.411 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.521 HG23 ' HA ' ' A' ' 71' ' ' LYS . 3.9 mp -80.18 -34.69 15.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.419 -0.585 . . . . 72.120000000000005 109.419 176.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.403 ' HE2' HG11 ' A' ' 9' ' ' VAL . 39.8 t80 -137.82 144.32 41.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.378 -0.828 . . . . 70.239999999999995 109.496 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.438 ' HB3' ' HG3' ' A' ' 107' ' ' ARG . 85.4 p -173.87 137.65 0.59 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.212 -0.662 . . . . 65.239999999999995 109.212 173.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -135.98 172.47 12.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.325 0.583 . . . . 75.040000000000006 112.039 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -147.54 154.44 40.73 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.742 -1.117 . . . . 72.409999999999997 108.545 -171.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.69 ' HA ' ' HA3' ' A' ' 13' ' ' GLY . 53.2 mtpt -70.82 92.37 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.083 0.468 . . . . 74.310000000000002 110.448 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 49.7 t -86.72 134.55 27.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.659 -0.7 . . . . 72.409999999999997 110.79 -176.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -91.31 171.33 9.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.871 -0.604 . . . . 70.140000000000001 110.695 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.9 94.55 9.81 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.653 0.612 . . . . 71.150000000000006 112.653 -168.53 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -131.09 0.23 4.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.022 -0.535 . . . . 74.420000000000002 109.813 169.569 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.6 t -150.66 36.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.643 -0.708 . . . . 61.32 109.479 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.94 97.47 0.26 Allowed Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.789 -0.641 . . . . 73.230000000000004 112.901 -176.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -81.19 158.34 24.93 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.809 -0.441 . . . . 64.329999999999998 109.809 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.58 -15.44 62.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.424 -0.353 . . . . 74.310000000000002 111.691 -173.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -69.54 -34.92 74.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.291 0.567 . . . . 75.530000000000001 109.919 174.033 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -77.41 -28.03 52.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.67 -0.696 . . . . 63.109999999999999 109.68 177.114 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -56.2 -31.03 63.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.508 -0.769 . . . . 73.200000000000003 111.32 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -70.59 -43.45 69.35 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.191 0.441 . . . . 62.32 112.191 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.721 ' HB ' ' HB1' ' A' ' 23' ' ' ALA . 30.0 m -74.51 -28.82 22.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.361 -0.536 . . . . 63.130000000000003 109.887 176.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.72 -47.73 84.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.669 -0.696 . . . . 63.25 110.111 173.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 70.2 mtm -61.68 -44.81 96.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.582 . . . . 72.140000000000001 111.133 177.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -59.82 -44.26 94.11 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.644 0.259 . . . . 75.010000000000005 111.031 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.48 -45.75 92.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.933 0.397 . . . . 43.340000000000003 110.904 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.682 ' HB3' ' HB ' ' A' ' 137' ' ' ILE . 82.0 mttt -67.64 -34.4 76.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 72.439999999999998 111.404 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 56.1 m -61.91 -39.05 90.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.021 0.438 . . . . 52.210000000000001 110.637 177.309 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.32 -22.83 61.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.036 -0.529 . . . . 72.109999999999999 111.195 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.492 ' HB3' ' OE1' ' A' ' 19' ' ' GLN . 98.3 mt -97.56 -17.94 19.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 71.099999999999994 111.52 -176.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 93.1 23.04 25.95 Favored Glycine 0 C--O 1.237 0.302 0 C-N-CA 120.738 -0.744 . . . . 73.329999999999998 112.234 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.682 ' HB ' ' HB3' ' A' ' 132' ' ' LYS . 55.0 mt . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 109.692 -0.485 . . . . 62.439999999999998 109.692 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 C--O 1.233 0.208 0 CA-C-O 121.431 0.634 . . . . 72.409999999999997 111.565 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -137.7 2.23 2.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.484 -0.78 . . . . 70.25 110.106 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.95 96.61 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.213 0.449 . . . . 71.239999999999995 112.213 -169.354 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 43.9 101.77 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.51 1.124 . . . . 62.5 113.474 171.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.919 ' HB2' HG22 ' A' ' 72' ' ' ILE . 15.5 m-85 -73.01 125.65 28.13 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.225 -0.658 . . . . 72.200000000000003 109.225 178.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.529 ' O ' HG13 ' A' ' 27' ' ' VAL . 19.1 t70 -112.19 91.32 3.61 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.271 -0.422 . . . . 54.409999999999997 109.918 -174.238 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.581 HG13 ' HA ' ' A' ' 26' ' ' PHE . 41.1 t -99.71 115.93 41.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.898 -0.592 . . . . 62.539999999999999 110.113 -176.048 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -146.57 137.58 24.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.971 0.415 . . . . 74.209999999999994 111.506 -177.256 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.876 HG21 ' HA ' ' A' ' 24' ' ' TYR . 29.1 m -156.5 140.8 16.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.166 -0.679 . . . . 53.329999999999998 109.166 175.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.573 ' HB2' ' HB3' ' A' ' 117' ' ' ALA . 23.8 t70 -94.15 144.58 25.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.635 0.255 . . . . 72.200000000000003 110.527 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.76 66.2 3.79 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.866 -0.683 . . . . 63.109999999999999 111.712 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.2 m -71.2 152.78 43.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.101 0.477 . . . . 71.349999999999994 111.764 -176.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -131.55 171.14 13.78 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.099 -0.704 . . . . 72.25 109.099 177.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.5 p -154.84 134.62 3.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.726 0.298 . . . . 72.209999999999994 110.591 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.7 m120 63.66 27.93 14.92 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.968 -0.56 . . . . 71.040000000000006 111.149 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.86 8.49 77.8 Favored Glycine 0 C--O 1.227 -0.298 0 C-N-CA 120.624 -0.798 . . . . 73.319999999999993 112.091 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -114.39 146.37 40.66 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.514 -0.55 . . . . 72.540000000000006 109.514 178.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -138.25 152.66 48.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.145 0.498 . . . . 53.219999999999999 111.424 -177.451 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.535 ' HB1' ' O ' ' A' ' 38' ' ' ASP . . . -140.88 167.41 22.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.095 -0.957 . . . . 61.5 108.716 178.112 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.433 ' NE1' ' HB3' ' A' ' 38' ' ' ASP . 60.0 p-90 -96.96 130.46 44.27 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.123 -0.631 . . . . 73.409999999999997 110.587 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.56 136.14 10.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.336 -0.847 . . . . 73.150000000000006 109.315 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.876 ' HA ' HG21 ' A' ' 11' ' ' THR . 39.5 p90 -162.23 163.31 28.31 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.54 -0.3 . . . . 70.239999999999995 110.45 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.38 129.2 30.9 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.104 -0.498 . . . . 75.209999999999994 111.259 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.581 ' HA ' HG13 ' A' ' 9' ' ' VAL . 81.1 m-85 -88.1 106.15 17.97 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.44 -0.578 . . . . 74.549999999999997 109.44 175.392 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 8' ' ' ASP . 2.5 p -111.18 128.17 67.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.312 0.577 . . . . 74.099999999999994 110.964 -178.671 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.44 120.51 35.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 74.0 110.678 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 62.61 18.7 10.74 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.191 0.519 . . . . 71.120000000000005 110.577 176.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.24 0.62 59.69 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.977 -0.556 . . . . 75.340000000000003 112.479 -178.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -102.72 134.5 46.01 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.925 -0.162 . . . . 74.409999999999997 110.713 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.7 p -79.89 121.4 33.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.242 0.544 . . . . 62.109999999999999 110.319 176.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -101.52 -35.8 9.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.335 -0.393 . . . . 62.130000000000003 110.932 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -152.43 146.8 25.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.413 -0.358 . . . . 73.099999999999994 110.716 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -160.77 151.74 18.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.847 -0.615 . . . . 71.25 110.002 174.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -175.2 169.03 3.34 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.356 -0.384 . . . . 63.32 110.136 173.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -151.03 139.88 20.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.767 0.318 . . . . 64.109999999999999 111.054 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.535 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 6.0 t0 -154.39 170.94 20.17 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.098 -1.075 . . . . 55.020000000000003 108.098 175.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.401 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 28.8 m -93.01 -176.25 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-O 120.536 0.208 . . . . 64.439999999999998 110.715 -175.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.26 97.57 0.33 Allowed Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 110.957 -0.857 . . . . 72.409999999999997 110.957 173.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 26.1 mtpp -83.64 179.85 7.51 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.313 0.578 . . . . 73.319999999999993 110.791 -173.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 13.4 m120 -87.12 143.68 35.15 Favored Pre-proline 0 C--N 1.312 -1.059 0 CA-C-N 115.43 -0.805 . . . . 64.340000000000003 110.533 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 42' ' ' ASN . 53.0 Cg_exo -55.96 -39.94 88.07 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.013 2.475 . . . . 75.209999999999994 112.703 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.05 -17.06 64.45 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.845 0.313 . . . . 60.039999999999999 111.845 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.09 -39.24 8.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.077 0.465 . . . . 72.150000000000006 110.57 177.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.491 ' HA ' ' HB3' ' A' ' 50' ' ' ASN . . . -67.14 -26.71 66.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.937 -0.574 . . . . 65.349999999999994 111.799 -177.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.2 p -62.06 -25.06 67.46 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.331 0.493 . . . . 75.310000000000002 112.331 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 40.6 ttm -87.72 47.49 1.51 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.395 0.616 . . . . 64.310000000000002 110.631 -177.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.406 ' HG2' ' HA2' ' A' ' 53' ' ' GLY . 7.4 ttm180 56.96 50.39 12.27 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.262 -0.881 . . . . 71.219999999999999 111.372 174.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.491 ' HB3' ' HA ' ' A' ' 46' ' ' ALA . 22.9 t-20 -85.18 -78.07 0.27 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.318 -0.401 . . . . 74.109999999999999 110.393 177.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 t -66.87 -30.87 51.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.631 0.729 . . . . 54.030000000000001 109.715 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.71 -15.39 62.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.117 -0.947 . . . . 74.329999999999998 111.533 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLY . . . . . 0.406 ' HA2' ' HG2' ' A' ' 49' ' ' ARG . . . -60.75 -54.29 38.24 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.989 -0.624 . . . . 73.150000000000006 113.197 -174.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -63.93 -47.19 81.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.645 0.259 . . . . 74.450000000000003 111.404 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.6 pt -67.93 -35.01 70.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.122 0.416 . . . . 73.129999999999995 112.122 -176.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.47 -35.24 77.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.892 0.377 . . . . 71.430000000000007 110.792 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.41 -39.21 74.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.16 0.505 . . . . 62.340000000000003 110.229 176.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -71.91 -25.71 62.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.81 -0.632 . . . . 72.430000000000007 111.109 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.9 tp -58.28 -35.72 72.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.081 0.467 . . . . 72.340000000000003 111.104 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.35 -32.22 68.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.038 -0.528 . . . . 75.129999999999995 110.107 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.96 -33.93 70.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.994 -0.548 . . . . 74.310000000000002 109.791 175.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 58' ' ' ALA . 62.9 t -61.35 -45.97 97.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.811 -0.631 . . . . 71.019999999999996 109.648 173.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -60.51 -41.77 95.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.896 -0.593 . . . . 64.019999999999996 110.892 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -66.74 -34.76 78.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.484 -0.326 . . . . 64.140000000000001 111.588 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.68 -33.16 74.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.363 . . . . 73.120000000000005 110.91 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.434 ' HB2' ' CD1' ' A' ' 109' ' ' ILE . 7.2 t -66.95 -32.73 74.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.032 -0.531 . . . . 60.039999999999999 110.069 178.02 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -70.29 -32.42 70.21 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.017 -0.538 . . . . 73.510000000000005 111.086 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.3 mp -82.9 -25.22 32.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.027 -0.533 . . . . 73.120000000000005 110.306 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.04 34.69 8.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.788 -0.72 . . . . 74.409999999999997 112.246 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.0 m -120.96 161.75 20.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.745 0.307 . . . . 75.209999999999994 110.665 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -116.42 161.75 18.6 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.067 -0.515 . . . . 52.32 111.108 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.919 HG22 ' HB2' ' A' ' 7' ' ' TYR . 25.9 pt -131.48 176.18 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.239 -0.892 . . . . 71.319999999999993 109.78 175.382 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 9' ' ' VAL . 59.4 mtt-85 -100.79 137.85 38.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.307 -0.627 . . . . 73.010000000000005 109.307 172.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.461 HG23 ' HD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.572 0 N-CA-C 109.654 -0.498 . . . . 61.409999999999997 109.654 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.507 ' O ' ' HD2' ' A' ' 107' ' ' ARG . 7.3 ppt_? . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 121.376 0.607 . . . . 74.040000000000006 111.419 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -147.63 23.11 1.5 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 110.642 -0.983 . . . . 73.019999999999996 110.642 173.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.463 HG21 ' O ' ' A' ' 62' ' ' VAL . 4.2 mt -96.2 -25.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.191 -0.504 . . . . 73.420000000000002 111.418 -173.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -129.05 145.86 51.16 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 120.221 -0.592 . . . . 71.109999999999999 111.233 -176.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.5 m -117.53 131.36 56.72 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.544 -0.91 . . . . 75.329999999999998 108.544 171.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.461 ' HD1' HG23 ' A' ' 74' ' ' ILE . 89.9 t80 -109.1 135.3 50.46 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.633 -0.427 . . . . 73.340000000000003 110.755 -178.377 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -147.87 122.3 9.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.898 -0.779 . . . . 72.140000000000001 108.898 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -78.52 78.89 4.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.431 0.634 . . . . 64.030000000000001 109.594 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.4 p -106.49 122.13 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-N 115.66 -0.7 . . . . 75.129999999999995 110.805 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.46 ' HD3' ' C ' ' A' ' 116' ' ' LYS . 5.4 tmtm? -78.13 120.16 22.54 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.08 -0.711 . . . . 64.409999999999997 109.08 177.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . . . -69.95 100.9 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.087 0.47 . . . . 61.140000000000001 110.399 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -116.13 13.21 15.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.679 -0.691 . . . . 70.010000000000005 109.409 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.6 m -72.73 -29.53 63.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.549 -0.75 . . . . 73.209999999999994 111.285 -176.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 65.39 44.6 93.05 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.658 -0.782 . . . . 72.140000000000001 111.357 -175.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -96.62 177.24 5.73 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.74 -0.467 . . . . 63.43 109.74 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -46.18 -59.5 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.492 0.717 . . . . 70.219999999999999 112.187 -178.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -62.35 -26.57 68.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.0 -0.545 . . . . 74.030000000000001 111.754 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -70.88 -50.15 38.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.12 -0.491 . . . . 72.209999999999994 109.813 -177.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -75.66 -26.46 57.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.11 -0.496 . . . . 72.409999999999997 110.983 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -62.69 -48.46 79.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.632 -0.258 . . . . 72.030000000000001 111.086 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.1 p -65.34 -31.48 54.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-O 120.936 0.398 . . . . 64.010000000000005 110.603 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -61.26 -50.61 72.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.931 -0.577 . . . . 72.25 109.643 176.02 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 61.5 ttp -68.39 -33.1 73.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.516 -0.765 . . . . 71.230000000000004 110.572 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -61.06 -48.57 81.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.81 -0.632 . . . . 61.210000000000001 110.144 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -70.25 -32.45 70.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.105 -0.498 . . . . 65.230000000000004 110.727 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.691 ' HD2' HD12 ' A' ' 137' ' ' ILE . 21.1 tptm -56.09 -45.71 79.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.767 -0.651 . . . . 63.32 110.216 178.36 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 34.6 t -75.13 -35.64 61.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.656 -0.702 . . . . 62.140000000000001 110.835 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.11 -27.26 67.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 41.200000000000003 111.754 -176.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 97.2 mt -84.64 -11.72 55.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.19 0.519 . . . . 65.239999999999995 110.102 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.58 23.09 51.86 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.614 -0.803 . . . . 53.049999999999997 112.875 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.691 HD12 ' HD2' ' A' ' 132' ' ' LYS . 63.1 mt . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 109.788 -0.449 . . . . 72.420000000000002 109.788 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ASP . . . . . 0.484 ' HB3' ' HE1' ' A' ' 7' ' ' TYR . 1.2 m-20 . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 107.659 -1.237 . . . . 51.539999999999999 107.659 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.9 mtt-85 -93.89 -1.7 54.4 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.902 0.705 . . . . 72.209999999999994 112.902 -168.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.0 p -104.38 162.97 12.77 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.631 -0.428 . . . . 74.109999999999999 110.862 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.41 140.52 45.37 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.889 -0.411 . . . . 74.439999999999998 109.889 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.639 ' CD1' ' HB2' ' A' ' 28' ' ' LYS . 23.1 m-85 -88.3 128.25 35.48 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.482 0.658 . . . . 51.43 111.08 -172.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.829 ' HB2' ' HE2' ' A' ' 10' ' ' TYR . 16.4 p-10 -112.87 94.62 4.99 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.923 -1.035 . . . . 74.439999999999998 111.216 -176.367 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 21.5 t -103.57 111.14 32.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.455 -0.572 . . . . 70.129999999999995 109.455 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.829 ' HE2' ' HB2' ' A' ' 8' ' ' ASP . 7.4 p90 -154.35 142.21 20.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.959 0.409 . . . . 72.450000000000003 111.475 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.723 HG21 ' HA ' ' A' ' 24' ' ' TYR . 15.4 p -142.32 172.21 13.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.469 -0.787 . . . . 71.140000000000001 109.535 175.498 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -90.69 147.39 23.3 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.968 -0.382 . . . . 74.349999999999994 109.968 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -141.08 35.03 1.88 Allowed Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.973 -0.632 . . . . 54.240000000000002 111.744 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 t -103.02 122.5 44.76 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.944 -0.391 . . . . 62.229999999999997 109.944 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.555 ' HB3' ' HB3' ' A' ' 20' ' ' TYR . 6.3 p90 -68.21 106.06 2.31 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.431 0.634 . . . . 73.409999999999997 109.724 176.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.615 HG13 ' HE3' ' A' ' 132' ' ' LYS . 7.6 p -100.16 129.01 51.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.572 -0.74 . . . . 74.530000000000001 110.959 -173.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ASN . . . . . 0.415 ' OD1' HG22 ' A' ' 16' ' ' VAL . 22.3 m120 63.37 26.99 15.19 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.126 -0.943 . . . . 73.140000000000001 110.626 -176.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.29 -22.03 11.3 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.758 -0.655 . . . . 54.450000000000003 112.815 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.608 ' HG2' ' HG ' ' A' ' 135' ' ' LEU . 2.0 mp0 -81.63 140.24 34.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.999 0.428 . . . . 71.409999999999997 110.85 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.555 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 42.4 p90 -139.69 153.36 47.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.021 -0.536 . . . . 65.019999999999996 109.989 177.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.689 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -155.49 169.98 23.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.107 -0.497 . . . . 55.329999999999998 109.865 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.3 p-90 -97.22 129.18 44.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.908 -0.775 . . . . 74.010000000000005 108.908 174.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.05 136.95 6.03 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.161 -0.472 . . . . 70.200000000000003 110.335 -174.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.723 ' HA ' HG21 ' A' ' 11' ' ' THR . 47.7 p90 -166.86 155.75 10.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.276 0.56 . . . . 60.130000000000003 110.915 178.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.455 ' H ' HG21 ' A' ' 11' ' ' THR . . . -142.64 126.6 17.27 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.379 -0.828 . . . . 63.32 109.14 177.203 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -84.3 96.45 9.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.55 0.69 . . . . 75.010000000000005 109.858 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 8' ' ' ASP . 1.9 p -96.29 145.75 8.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 114.528 -1.214 . . . . 74.25 109.446 176.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.639 ' HB2' ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -163.74 137.45 5.62 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.355 -0.609 . . . . 52.0 109.355 176.658 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.427 ' HB2' ' HB3' ' A' ' 3' ' ' ASP . 9.1 t70 66.2 11.81 8.12 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.657 0.742 . . . . 74.120000000000005 109.945 178.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.75 -4.22 63.37 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.584 -0.734 . . . . 65.109999999999999 112.5 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 27' ' ' VAL . 12.2 mptt -106.67 150.98 25.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.016 0.436 . . . . 72.129999999999995 111.172 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.6 t -102.46 111.98 34.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.694 -0.685 . . . . 71.099999999999994 109.252 174.67 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -94.59 -15.76 23.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.527 -0.306 . . . . 64.25 111.25 -173.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.523 ' CE2' ' HG3' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -160.2 144.04 14.11 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.917 -0.771 . . . . 71.239999999999995 108.917 176.82 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -155.34 127.09 7.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.887 0.375 . . . . 60.240000000000002 111.612 -172.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -154.66 135.48 13.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.01 -0.541 . . . . 71.109999999999999 109.57 174.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -155.53 121.16 4.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.457 -0.338 . . . . 63.450000000000003 110.297 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -166.68 164.51 16.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 64.319999999999993 110.748 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.689 HG12 ' HB2' ' A' ' 21' ' ' ALA . 30.9 m -89.23 146.15 6.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.036 0.446 . . . . 63.340000000000003 111.321 -178.217 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.98 111.79 0.32 Allowed Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.834 -0.698 . . . . 64.420000000000002 112.983 176.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -92.18 174.38 7.34 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 107.951 -1.129 . . . . 52.240000000000002 107.951 171.584 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -143.54 144.61 28.28 Favored Pre-proline 0 C--N 1.31 -1.127 0 CA-C-N 116.647 -0.252 . . . . 71.209999999999994 110.536 -176.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -66.02 -16.15 51.35 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.91 2.407 . . . . 61.549999999999997 111.438 174.46 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.35 -7.46 37.54 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.51 -0.768 . . . . 73.439999999999998 111.083 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.91 -37.26 78.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 73.420000000000002 110.532 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.47 -27.02 51.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.887 -0.597 . . . . 72.010000000000005 110.704 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.3 m -65.33 -46.29 80.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 75.329999999999998 110.688 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 49.6 ttm -96.64 -82.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 63.32 110.34 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.765 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . 11.6 ptt180 -167.66 -51.16 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.678 -0.237 . . . . 62.420000000000002 110.703 178.401 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.529 ' N ' ' HG3' ' A' ' 49' ' ' ARG . 0.6 OUTLIER 50.78 -87.42 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.97 0.908 . . . . 71.209999999999994 112.212 -176.963 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.626 ' O ' HG12 ' A' ' 55' ' ' ILE . 29.7 t -65.88 -38.32 81.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.559 -0.292 . . . . 74.420000000000002 110.598 -176.385 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.765 ' HB3' ' HB2' ' A' ' 49' ' ' ARG . . . -55.7 -35.0 65.59 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.098 -0.501 . . . . 73.510000000000005 112.215 -176.272 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.48 -48.11 19.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 45.130000000000003 111.927 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.523 ' HG3' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -67.62 -26.56 66.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.689 0.28 . . . . 64.010000000000005 111.127 -178.38 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.626 HG12 ' O ' ' A' ' 51' ' ' VAL . 17.0 mm -55.3 -30.11 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 116.019 -0.537 . . . . 54.549999999999997 111.742 176.506 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.08 -45.56 43.3 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.071 0.397 . . . . 51.210000000000001 112.071 -177.072 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.54 -33.69 74.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.864 0.364 . . . . 64.239999999999995 111.559 -177.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.608 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -77.38 -40.09 45.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.154 -0.475 . . . . 41.439999999999998 110.571 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.499 HD21 ' HE3' ' A' ' 63' ' ' LYS . 10.2 tt -59.81 -50.99 71.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 73.299999999999997 111.061 -176.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -68.76 -28.35 66.72 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.96 -0.296 . . . . 72.230000000000004 110.536 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.72 -37.11 85.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.627 -0.26 . . . . 45.329999999999998 110.509 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 58' ' ' ALA . 39.8 t -60.93 -45.04 99.08 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 CA-C-O 121.47 0.652 . . . . 75.239999999999995 109.516 174.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.499 ' HE3' HD21 ' A' ' 59' ' ' LEU . 77.6 mttt -66.95 -43.93 81.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.088 -0.96 . . . . 75.200000000000003 111.341 -178.364 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -62.17 -41.04 97.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 111.064 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.586 ' HB2' ' HD2' ' A' ' 7' ' ' TYR . . . -71.25 -32.22 68.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.624 0.249 . . . . 74.519999999999996 110.701 178.256 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.2 t -62.56 -41.05 98.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 42.450000000000003 110.066 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.85 -31.06 59.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.022 -0.536 . . . . 63.43 110.823 177.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.6 tp -74.36 -25.53 59.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 43.530000000000001 110.34 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.67 38.81 11.36 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.973 -0.558 . . . . 73.239999999999995 112.824 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.4 m -134.72 176.43 8.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.821 0.343 . . . . 74.230000000000004 111.089 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -117.19 164.47 14.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.943 -0.571 . . . . 61.329999999999998 110.257 176.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.571 HG12 ' CD1' ' A' ' 110' ' ' TYR . 1.5 pp -122.95 158.71 27.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.416 -0.587 . . . . 52.229999999999997 109.416 173.478 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -125.98 111.16 14.42 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.936 -0.394 . . . . 73.430000000000007 109.936 176.779 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.546 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.412 0 CA-C-O 121.924 0.869 . . . . 74.340000000000003 108.997 175.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 . . . . . 0 N--CA 1.45 -0.459 0 CA-C-O 121.115 0.483 . . . . 52.399999999999999 110.239 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -144.39 -43.48 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.463 -0.789 . . . . 54.219999999999999 111.174 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 109' ' ' ILE . 4.6 mp -64.84 -39.61 86.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.482 0.658 . . . . 73.519999999999996 109.313 173.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.573 ' CD1' HG22 ' A' ' 62' ' ' VAL . 2.5 m-85 -111.09 143.92 41.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.531 -0.759 . . . . 74.540000000000006 109.456 174.247 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.514 ' O ' HG22 ' A' ' 74' ' ' ILE . 77.4 p -156.23 162.78 40.12 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.444 -0.576 . . . . 54.32 109.444 176.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -116.63 134.6 54.63 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.838 0.351 . . . . 75.120000000000005 110.23 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -131.74 136.89 47.95 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.94 -0.573 . . . . 62.039999999999999 110.66 -175.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -106.36 89.59 3.09 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.209 0.528 . . . . 74.349999999999994 109.715 173.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.7 p -135.3 137.12 50.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.66 -0.7 . . . . 74.239999999999995 109.488 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -122.95 92.67 3.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.079 0.466 . . . . 70.310000000000002 109.836 -179.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -131.47 -80.07 0.52 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.875 -0.602 . . . . 44.149999999999999 109.437 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -101.67 32.54 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.822 -0.807 . . . . 72.409999999999997 108.822 172.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.8 m -84.02 29.36 0.56 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.879 -1.055 . . . . 72.439999999999998 111.773 -172.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -132.55 70.32 0.52 Allowed Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.089 -0.804 . . . . 73.439999999999998 111.089 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -89.81 -176.42 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.793 0.33 . . . . 71.299999999999997 110.828 -178.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.32 -34.44 75.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 64.109999999999999 111.135 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -74.23 -26.62 60.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.072 -0.513 . . . . 71.439999999999998 111.286 -177.363 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -69.07 -44.42 72.6 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.416 -0.587 . . . . 73.109999999999999 109.416 174.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.14 -34.59 76.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.208 -0.906 . . . . 71.549999999999997 110.838 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.489 ' HA ' ' HE2' ' A' ' 129' ' ' MET . 65.3 t80 -58.78 -41.25 86.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.765 -0.652 . . . . 71.109999999999999 110.953 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 54.0 t -69.97 -38.74 76.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 74.310000000000002 111.063 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -58.2 -49.14 78.11 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.927 0.394 . . . . 73.230000000000004 111.13 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' MET . . . . . 0.489 ' HE2' ' HA ' ' A' ' 126' ' ' TYR . 54.4 mtm -58.88 -45.69 89.6 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.917 -0.583 . . . . 62.210000000000001 111.15 -178.503 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -66.42 -40.15 89.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.898 -0.592 . . . . 73.230000000000004 110.146 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.63 -51.35 70.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 53.140000000000001 111.07 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.615 ' HE3' HG13 ' A' ' 16' ' ' VAL . 32.4 mmtp -63.06 -38.77 92.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 70.409999999999997 111.174 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.6 m -65.48 -30.67 71.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.145 -0.48 . . . . 60.240000000000002 110.747 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.488 ' HB3' HG13 ' A' ' 39' ' ' VAL . . . -74.36 -21.26 59.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 74.400000000000006 111.429 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.608 ' HG ' ' HG2' ' A' ' 19' ' ' GLN . 1.3 mm? -85.37 -8.29 58.52 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.554 -0.536 . . . . 73.310000000000002 109.554 174.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.85 16.25 63.78 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.724 -0.75 . . . . 52.100000000000001 111.81 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 71.9 mt . . . . . 0 C--N 1.323 -0.544 0 CA-C-O 120.777 0.322 . . . . 64.430000000000007 110.419 -179.462 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 N--CA 1.45 -0.446 0 CA-C-O 121.675 0.75 . . . . 74.140000000000001 109.638 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -113.8 3.14 15.38 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.342 -0.844 . . . . 74.230000000000004 111.109 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.3 t -86.96 164.09 16.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.166 -0.47 . . . . 72.209999999999994 110.955 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.529 ' HA ' HG22 ' A' ' 72' ' ' ILE . 1.4 mp0 -59.36 120.71 9.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.74 -0.664 . . . . 60.100000000000001 110.182 178.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.406 ' HD1' ' HB3' ' A' ' 28' ' ' LYS . 95.4 m-85 -72.28 142.36 48.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.248 -0.433 . . . . 55.009999999999998 110.446 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -92.91 95.24 9.38 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.972 -0.751 . . . . 74.329999999999998 108.972 174.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.3 t -94.48 127.0 46.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.602 -0.727 . . . . 63.009999999999998 110.4 -174.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.58 ' O ' HG22 ' A' ' 11' ' ' THR . 66.0 m-85 -88.49 175.85 7.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.335 -0.393 . . . . 73.349999999999994 111.095 -178.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.904 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 2.7 t 58.39 4.44 0.34 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.309 1.444 . . . . 71.540000000000006 113.592 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.9 p-10 -74.7 80.74 2.05 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.677 0.751 . . . . 74.340000000000003 111.412 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.2 -102.26 0.65 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.635 -0.793 . . . . 63.210000000000001 112.708 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . 0.418 ' HA ' ' CG ' ' A' ' 114' ' ' LYS . 11.8 p -165.05 -76.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.849 0.356 . . . . 75.109999999999999 110.605 -177.366 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -145.73 167.87 22.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.049 -0.523 . . . . 71.349999999999994 109.895 177.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.489 HG21 ' O ' ' A' ' 117' ' ' ALA . 12.1 p -146.82 137.46 17.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.667 0.27 . . . . 61.399999999999999 110.502 178.301 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.3 m120 60.74 26.68 16.46 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.033 -0.53 . . . . 74.230000000000004 110.802 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.36 -3.93 65.33 Favored Glycine 0 CA--C 1.521 0.469 0 CA-C-N 116.083 -0.508 . . . . 63.299999999999997 112.445 -177.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.589 ' HB3' HD22 ' A' ' 135' ' ' LEU . 16.5 mm-40 -101.75 137.13 40.47 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.169 -0.308 . . . . 72.120000000000005 110.169 -178.193 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -120.03 146.6 45.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.976 0.417 . . . . 74.219999999999999 110.626 178.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.568 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -155.05 167.17 31.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.682 -0.69 . . . . 64.209999999999994 109.529 -178.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.446 ' CE2' ' HB3' ' A' ' 38' ' ' ASP . 35.2 p-90 -105.4 130.08 53.57 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.565 -0.531 . . . . 73.430000000000007 109.565 178.448 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.15 167.43 18.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.072 -0.513 . . . . 73.030000000000001 110.214 -176.212 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.498 ' HA ' ' CG2' ' A' ' 11' ' ' THR . 49.4 p90 -167.16 157.5 11.32 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 123.396 0.435 . . . . 70.430000000000007 110.93 177.245 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.57 102.23 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.427 -0.806 . . . . 45.200000000000003 109.906 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -90.42 109.96 21.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.197 0.522 . . . . 74.219999999999999 110.309 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 1.5 p -129.78 133.96 63.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.373 -0.83 . . . . 71.239999999999995 111.744 -174.128 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HB3' ' HD1' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -145.61 139.94 27.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.483 -0.781 . . . . 75.040000000000006 109.097 173.086 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.5 t70 64.83 15.17 9.7 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.544 0.688 . . . . 74.430000000000007 110.494 -178.088 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.93 -1.55 83.37 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.814 -0.708 . . . . 73.099999999999994 112.322 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 27' ' ' VAL . 13.4 mptt -96.72 135.55 38.51 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 121.393 0.616 . . . . 72.239999999999995 110.222 178.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.24 124.04 65.6 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 CA-C-N 114.964 -1.016 . . . . 61.240000000000002 110.094 -178.47 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.46 ' CD2' ' HD1' ' A' ' 34' ' ' TYR . 85.1 t60 -72.93 -49.34 30.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.931 -0.577 . . . . 71.299999999999997 110.495 -177.092 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.46 ' HD1' ' CD2' ' A' ' 33' ' ' HIS . 8.0 m-85 -143.41 140.45 30.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.955 0.407 . . . . 75.439999999999998 110.555 176.173 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 126' ' ' TYR . 0.0 OUTLIER -130.6 119.06 21.92 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.385 -0.825 . . . . 75.420000000000002 109.227 173.73 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -167.51 163.39 14.77 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.24 -0.652 . . . . 62.039999999999999 109.24 -177.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 130' ' ' LYS . . . -159.3 121.61 3.48 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.846 -0.427 . . . . 51.409999999999997 109.846 -178.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.504 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 31.3 t70 -132.6 153.01 51.45 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.867 -0.333 . . . . 71.109999999999999 110.287 -177.188 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.578 HG12 HD23 ' A' ' 135' ' ' LEU . 27.1 m -84.23 174.97 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.05 0.452 . . . . 71.239999999999995 111.856 -174.674 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.56 87.16 0.52 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.362 -0.695 . . . . 62.119999999999997 111.362 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -92.94 -168.05 1.86 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.062 0.458 . . . . 61.420000000000002 110.864 -177.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -57.44 150.54 43.72 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.012 -0.994 . . . . 65.409999999999997 111.175 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.68 -14.7 18.12 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.363 2.709 . . . . 70.409999999999997 112.906 -178.268 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.47 -45.72 80.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.398 -0.364 . . . . 70.120000000000005 110.812 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.25 -30.09 61.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.032 0.444 . . . . 71.109999999999999 110.662 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.13 -22.63 61.29 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.875 -0.602 . . . . 22.23 110.825 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.7 m -96.84 -49.3 5.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.619 -0.719 . . . . 41.329999999999998 110.418 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 66.1 mtm -88.98 67.79 8.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.565 0.698 . . . . 73.319999999999993 109.598 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.771 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 84.5 mtt180 -75.7 89.2 2.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.406 -0.815 . . . . 72.120000000000005 110.754 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -71.3 -65.31 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.69 0.281 . . . . 73.239999999999995 110.436 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.41 -48.6 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 70.040000000000006 110.674 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.771 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -68.78 -13.91 62.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.649 -0.705 . . . . 64.310000000000002 111.551 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.41 -38.13 93.01 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 116.137 -0.483 . . . . 74.349999999999994 113.247 -177.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.42 -30.58 71.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.128 0.464 . . . . 72.200000000000003 110.101 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.4 mm -70.17 -36.65 68.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 64.310000000000002 109.804 177.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.05 -29.27 65.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.649 -0.705 . . . . 62.149999999999999 110.681 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.48 -37.78 42.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.126 -0.488 . . . . 74.450000000000003 110.218 176.176 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -67.0 -21.12 65.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.71 -0.677 . . . . 71.140000000000001 111.269 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.4 tp -50.68 -34.22 25.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.081 -0.509 . . . . 64.540000000000006 111.609 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -60.85 -48.88 79.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.486 -0.325 . . . . 60.350000000000001 110.606 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -30.61 70.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.019 0.438 . . . . 61.229999999999997 110.472 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.502 HG11 ' HD1' ' A' ' 110' ' ' TYR . 82.0 t -65.02 -45.92 93.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.846 -0.616 . . . . 75.109999999999999 110.442 176.062 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -68.21 -32.82 73.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.547 0.689 . . . . 74.200000000000003 109.723 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -61.57 -33.03 73.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.001 -1.0 . . . . 65.120000000000005 110.788 174.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.418 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -64.72 -29.88 70.88 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.327 -0.397 . . . . 61.539999999999999 111.391 -178.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.7 m -60.01 -37.35 79.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.112 0.482 . . . . 71.409999999999997 110.049 175.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -82.98 -33.17 26.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.657 -0.702 . . . . 74.400000000000006 110.944 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.1 tp -68.42 -26.6 65.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 74.430000000000007 110.848 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.0 26.78 9.99 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.678 -0.773 . . . . 44.149999999999999 113.05 176.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.418 HG23 ' HB1' ' A' ' 65' ' ' ALA . 19.3 m -131.01 135.07 60.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.009 0.433 . . . . 64.349999999999994 110.766 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.88 ' HA ' HG23 ' A' ' 109' ' ' ILE . 14.4 ttpt -132.83 144.33 50.14 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.95 -0.568 . . . . 74.409999999999997 109.609 178.297 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.617 HG13 ' O ' ' A' ' 109' ' ' ILE . 2.1 pp -106.48 154.07 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 108.404 -0.961 . . . . 73.200000000000003 108.404 174.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -83.52 101.87 11.73 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.032 0.444 . . . . 74.120000000000005 111.06 -171.21 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.681 HD12 ' HE1' ' A' ' 112' ' ' PHE . 25.3 pt . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.682 -0.69 . . . . 62.130000000000003 109.645 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.227 0 N-CA-C 110.621 -0.14 . . . . 74.230000000000004 110.621 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 46.8 77.52 0.1 Allowed Glycine 0 C--N 1.334 0.453 0 O-C-N 123.723 0.639 . . . . 54.0 113.387 174.615 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.88 HG23 ' HA ' ' A' ' 71' ' ' LYS . 32.7 mm -60.41 -25.42 34.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 111.803 0.297 . . . . 75.549999999999997 111.803 -177.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.502 ' HD1' HG11 ' A' ' 62' ' ' VAL . 1.7 p90 -92.53 159.26 15.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.88 0.371 . . . . 75.450000000000003 110.902 -175.608 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.603 ' HA ' HG22 ' A' ' 74' ' ' ILE . 8.5 t -74.41 174.97 8.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.978 -0.555 . . . . 74.209999999999994 110.416 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.681 ' HE1' HD12 ' A' ' 74' ' ' ILE . 97.0 m-85 -98.53 168.47 10.16 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.319 -0.252 . . . . 64.319999999999993 110.319 -175.016 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLU . . . . . 0.549 ' O ' ' HD2' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -94.68 107.65 19.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.088 0.946 . . . . 72.319999999999993 109.764 179.169 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.549 ' HD2' ' O ' ' A' ' 113' ' ' GLU . 13.8 mptt -151.1 152.82 33.95 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.571 -1.195 . . . . 74.439999999999998 109.869 -165.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.0 p -99.17 148.71 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.727 0.298 . . . . 63.530000000000001 110.603 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.904 ' HG2' ' HA ' ' A' ' 11' ' ' THR . 14.2 ptpt -158.39 172.52 18.19 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 110.265 -0.272 . . . . 65.299999999999997 110.265 176.521 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.489 ' O ' HG21 ' A' ' 16' ' ' VAL . . . 75.67 156.99 0.18 Allowed 'General case' 0 N--CA 1.466 0.346 0 O-C-N 124.427 1.08 . . . . 61.229999999999997 112.643 170.148 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -126.44 1.05 6.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.202 -0.908 . . . . 54.109999999999999 110.121 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.9 t -149.9 -34.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.97 -0.559 . . . . 73.340000000000003 109.811 175.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.81 163.67 2.39 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-O 121.468 0.482 . . . . 50.229999999999997 113.619 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -76.5 176.15 8.56 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.98 -1.118 . . . . 64.510000000000005 107.98 169.748 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 125' ' ' ASP . 35.3 tt0 -51.01 -54.15 27.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.612 0.597 . . . . 74.109999999999999 112.612 -174.133 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -76.47 -26.58 55.51 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.613 -0.267 . . . . 73.140000000000001 111.596 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -72.1 -27.91 62.95 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.694 -0.484 . . . . 71.299999999999997 109.694 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.594 ' HA ' ' HB3' ' A' ' 128' ' ' ASP . 12.9 t70 -53.18 -29.12 29.99 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.351 -0.84 . . . . 72.230000000000004 111.366 176.359 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.409 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -58.4 -52.29 66.23 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.368 -0.378 . . . . 73.150000000000006 111.043 175.618 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 92.6 t -76.86 -36.71 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 62.039999999999999 110.379 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.594 ' HB3' ' HA ' ' A' ' 125' ' ' ASP . 4.2 t70 -56.16 -55.24 35.55 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.049 -0.523 . . . . 61.240000000000002 111.12 176.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 43.8 ttp -60.94 -39.01 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 75.030000000000001 110.904 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 11.0 mptt -69.73 -42.87 73.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.357 -0.383 . . . . 72.150000000000006 110.952 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.68 96.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.336 -0.393 . . . . 73.510000000000005 110.536 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -56.95 -42.77 80.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.162 -0.472 . . . . 75.519999999999996 111.077 176.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.7 m -65.76 -42.08 91.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.312 -0.404 . . . . 75.299999999999997 110.859 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' ALA . . . . . 0.439 ' HB1' HG13 ' A' ' 39' ' ' VAL . . . -73.49 -39.34 64.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.355 -0.384 . . . . 53.210000000000001 111.611 -178.427 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.589 HD22 ' HB3' ' A' ' 19' ' ' GLN . 98.5 mt -80.97 -17.67 49.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.357 -0.383 . . . . 70.420000000000002 110.654 -176.197 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.18 24.88 35.6 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.099 -1.048 . . . . 61.0 112.458 177.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.1 mm . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 121.334 0.588 . . . . 62.049999999999997 110.913 -177.823 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.979 0.418 . . . . 65.530000000000001 111.52 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -82.67 50.4 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.14 -0.482 . . . . 74.109999999999999 110.476 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 t -139.79 95.29 2.88 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.876 -0.33 . . . . 62.039999999999999 111.79 -178.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 43.29 91.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.19 -0.913 . . . . 74.019999999999996 112.925 173.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.471 ' O ' ' HB ' ' A' ' 72' ' ' ILE . 74.0 m-85 -72.64 155.55 39.89 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.466 -0.788 . . . . 65.219999999999999 110.899 -175.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -109.68 124.99 52.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.15 0.5 . . . . 72.310000000000002 110.01 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.0 t -129.27 122.85 56.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.881 -0.6 . . . . 75.209999999999994 109.738 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.495 ' HB3' ' OD1' ' A' ' 124' ' ' ASN . 58.7 m-85 -101.97 137.89 39.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.122 -0.49 . . . . 74.150000000000006 110.287 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -168.27 148.32 4.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.018 -0.537 . . . . 73.400000000000006 110.282 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -132.93 144.06 49.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.349 -0.387 . . . . 71.450000000000003 110.216 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.73 73.21 2.7 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 120.664 -0.779 . . . . 65.420000000000002 111.315 177.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.0 m -78.07 103.09 7.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.966 0.412 . . . . 60.140000000000001 110.799 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -144.95 144.7 31.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.855 -0.612 . . . . 70.319999999999993 109.667 175.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.0 p -169.38 139.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.315 -0.402 . . . . 61.130000000000003 110.621 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.2 t30 63.35 28.33 15.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.903 -0.589 . . . . 71.450000000000003 111.333 171.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.21 -14.96 62.25 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.64 -0.79 . . . . 70.430000000000007 112.163 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HB3' HD22 ' A' ' 135' ' ' LEU . 7.9 mm-40 -89.08 140.29 29.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.825 0.345 . . . . 72.530000000000001 110.66 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . 0.657 ' HE1' ' H ' ' A' ' 41' ' ' LYS . 25.0 p90 -147.6 140.32 24.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.891 -0.595 . . . . 74.329999999999998 110.745 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.48 154.43 46.1 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.989 -0.551 . . . . 64.209999999999994 110.051 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.533 ' HB3' ' HE2' ' A' ' 41' ' ' LYS . 32.7 p-90 -114.51 130.41 56.74 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.997 0.427 . . . . 74.049999999999997 110.086 177.073 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.778 ' HB1' HG22 ' A' ' 127' ' ' VAL . . . -145.64 136.15 24.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.736 -0.665 . . . . 61.5 110.147 -177.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -142.57 138.48 30.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.385 -0.37 . . . . 73.409999999999997 110.47 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . . . -119.68 104.91 10.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.883 -0.599 . . . . 73.540000000000006 110.038 175.453 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.493 ' HD2' ' HB2' ' A' ' 34' ' ' TYR . 97.3 m-85 -90.79 98.91 12.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.968 -0.56 . . . . 61.140000000000001 110.163 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.51 ' HA ' ' HA ' ' A' ' 32' ' ' VAL . 3.0 p -106.71 124.59 62.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.427 0.632 . . . . 65.310000000000002 111.066 -175.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -133.21 131.13 39.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.836 -0.62 . . . . 74.420000000000002 109.838 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 68.19 10.31 7.75 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.002 -0.545 . . . . 55.229999999999997 110.752 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.36 1.98 60.56 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.819 -0.705 . . . . 74.430000000000007 111.638 -176.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -113.77 126.97 55.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.36 . . . . 75.140000000000001 110.358 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.51 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 5.9 p -85.63 106.95 15.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.588 0.708 . . . . 71.530000000000001 110.238 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -78.21 -43.47 28.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.906 -0.588 . . . . 63.450000000000003 110.271 -174.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.493 ' HB2' ' HD2' ' A' ' 26' ' ' PHE . 94.3 m-85 -122.65 139.23 54.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.227 -0.442 . . . . 61.100000000000001 110.131 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -161.64 120.42 2.4 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.556 0.535 . . . . 72.319999999999993 109.732 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -165.84 157.15 13.82 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.995 -0.372 . . . . 75.329999999999998 109.995 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.542 ' HB3' ' HB3' ' A' ' 130' ' ' LYS . . . -143.47 108.47 4.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.478 -0.328 . . . . 70.25 110.558 179.049 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -116.04 148.07 40.58 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.547 -0.538 . . . . 71.409999999999997 109.547 -177.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.9 m -93.41 136.08 26.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.131 0.491 . . . . 71.230000000000004 111.207 -177.681 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.4 108.34 1.04 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.569 -0.824 . . . . 53.399999999999999 112.189 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.657 ' H ' ' HE1' ' A' ' 20' ' ' TYR . 86.7 mttt -92.14 96.47 10.34 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.794 -0.447 . . . . 70.310000000000002 109.794 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -134.38 144.75 52.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.2 -0.454 . . . . 74.409999999999997 111.029 -175.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.57 -11.48 31.92 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.917 2.412 . . . . 64.310000000000002 112.456 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.2 -22.6 63.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.055 -0.52 . . . . 72.120000000000005 111.209 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.16 -28.3 69.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.262 -0.426 . . . . 71.430000000000007 110.932 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.825 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . . . -78.22 -30.04 48.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.308 -0.406 . . . . 74.409999999999997 110.631 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.1 m -79.99 -43.81 21.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.054 -0.521 . . . . 72.109999999999999 110.642 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.0 ttm -80.2 -67.54 0.76 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.524 . . . . 72.209999999999994 111.473 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -89.05 -14.86 35.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.595 -0.275 . . . . 61.109999999999999 111.286 -171.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.481 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 9.1 t-20 69.96 -1.46 2.36 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.241 0.617 . . . . 74.030000000000001 111.603 175.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 55' ' ' ILE . 58.8 t -56.83 -43.02 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.184 -0.462 . . . . 54.32 111.853 -175.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.825 ' HB3' ' HB2' ' A' ' 46' ' ' ALA . . . -62.99 -21.93 66.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.631 0.253 . . . . 52.439999999999998 111.652 -176.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.34 -50.98 9.01 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.909 -0.662 . . . . 45.409999999999997 112.192 177.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.4 -33.99 69.97 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.972 0.36 . . . . 73.140000000000001 111.972 -175.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' ' 51' ' ' VAL . 40.5 pt -71.12 -29.42 36.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.737 0.303 . . . . 54.229999999999997 111.547 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.61 -24.4 8.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.775 -0.648 . . . . 54.32 112.324 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.02 -31.98 67.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.004 0.431 . . . . 73.409999999999997 111.197 177.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.56 -23.82 61.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 74.109999999999999 111.285 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 tt -63.0 -40.99 99.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.968 0.413 . . . . 72.510000000000005 110.023 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.4 -25.86 59.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.249 -0.432 . . . . 73.409999999999997 111.402 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.95 94.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.108 0.48 . . . . 51.049999999999997 109.721 173.755 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.1 t -69.75 -34.75 62.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.67 -0.695 . . . . 73.109999999999999 110.255 175.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -59.54 -44.53 93.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.814 -0.63 . . . . 71.430000000000007 110.168 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -70.69 -28.24 64.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 63.130000000000003 110.989 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.415 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -56.36 -35.32 67.53 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.298 0.481 . . . . 64.120000000000005 112.298 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.849 ' HB3' HD11 ' A' ' 109' ' ' ILE . 61.7 p -60.22 -38.2 82.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.16 0.505 . . . . 65.120000000000005 111.025 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -66.49 -35.67 80.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.492 -0.777 . . . . 73.329999999999998 110.561 -177.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.6 mp -84.16 -25.54 29.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.808 -0.633 . . . . 71.409999999999997 110.635 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.32 18.87 47.9 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.879 -0.677 . . . . 74.140000000000001 111.916 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.415 HG23 ' HB1' ' A' ' 65' ' ' ALA . 30.1 m -99.61 158.0 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.944 -0.391 . . . . 70.409999999999997 109.944 178.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -153.45 -179.7 8.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.565 -0.289 . . . . 74.329999999999998 110.279 -173.215 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.641 HG12 ' O ' ' A' ' 109' ' ' ILE . 32.5 pt -114.48 -176.34 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.879 -0.785 . . . . 62.109999999999999 108.879 171.323 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -132.74 119.53 20.46 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.134 -0.626 . . . . 73.209999999999994 111.195 -178.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 112' ' ' PHE . 5.8 tp . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.887 -0.597 . . . . 72.030000000000001 109.911 175.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 . . . . . 0 C--O 1.235 0.311 0 CA-C-O 121.341 0.591 . . . . 72.420000000000002 112.082 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.7 69.75 2.98 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.654 -0.703 . . . . 74.219999999999999 111.825 177.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.849 HD11 ' HB3' ' A' ' 66' ' ' SER . 19.8 mt -64.94 -31.78 55.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.04 0.448 . . . . 73.310000000000002 110.906 -178.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -103.13 171.23 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.595 -0.73 . . . . 74.310000000000002 110.802 -177.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . 0.563 ' N ' HD11 ' A' ' 72' ' ' ILE . 14.2 p -79.55 130.92 35.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.77 -0.65 . . . . 54.530000000000001 112.039 -173.383 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' PHE . . . . . 0.539 ' O ' HG12 ' A' ' 74' ' ' ILE . 97.7 m-85 -109.03 171.9 7.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.705 -0.68 . . . . 75.120000000000005 109.366 173.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.0 118.55 32.84 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.451 0.643 . . . . 74.209999999999994 109.596 175.391 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -151.58 139.22 19.69 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.522 -0.763 . . . . 73.099999999999994 109.802 -175.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.0 p -74.49 98.21 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.901 0.858 . . . . 52.229999999999997 111.175 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -120.95 114.34 21.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.378 -0.828 . . . . 73.450000000000003 109.642 176.782 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 68.47 -178.97 0.22 Allowed 'General case' 0 C--O 1.233 0.206 0 O-C-N 124.022 0.826 . . . . 44.109999999999999 110.39 -175.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -136.09 5.21 3.03 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.448 -0.501 . . . . 71.129999999999995 110.82 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 m -84.94 -35.48 22.05 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.829 0.307 . . . . 72.239999999999995 111.829 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 69.08 155.03 0.84 Allowed Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.867 -0.682 . . . . 43.030000000000001 112.274 -174.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -113.19 146.9 38.49 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.037 -0.727 . . . . 55.5 109.037 173.781 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLU . . . . . 0.63 ' HA ' ' HB3' ' A' ' 125' ' ' ASP . 44.1 mt-10 -75.73 -18.07 59.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.908 0.336 . . . . 72.219999999999999 111.908 -173.569 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -67.2 -36.94 82.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.419 -0.586 . . . . 74.040000000000006 109.419 170.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.495 ' OD1' ' HB3' ' A' ' 10' ' ' TYR . 7.8 t30 -77.95 -35.55 50.24 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.502 -0.772 . . . . 72.019999999999996 109.849 174.245 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.63 ' HB3' ' HA ' ' A' ' 122' ' ' GLU . 23.1 t70 -52.85 -37.14 59.87 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.571 -0.741 . . . . 74.239999999999995 112.507 -175.447 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -70.68 -45.86 64.25 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.512 -0.475 . . . . 74.409999999999997 111.221 -177.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.778 HG22 ' HB1' ' A' ' 23' ' ' ALA . 8.0 p -74.01 -29.02 24.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.132 0.492 . . . . 71.120000000000005 110.057 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -64.18 -49.32 72.53 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.778 -0.646 . . . . 64.209999999999994 109.418 174.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 44.2 ttm -56.05 -42.38 76.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.931 -1.031 . . . . 73.400000000000006 110.349 177.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' LYS . . . . . 0.542 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 71.3 mmtt -54.74 -53.55 53.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 71.430000000000007 111.394 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.03 -45.16 74.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.115 -0.493 . . . . 75.530000000000001 111.542 -176.138 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -71.53 -35.38 70.66 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.51 0.559 . . . . 74.200000000000003 112.51 -173.534 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 68.9 p -73.09 -29.96 63.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.933 0.397 . . . . 70.340000000000003 110.481 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -74.23 -19.62 60.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 73.329999999999998 110.961 177.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 19' ' ' GLN . 84.7 mt -93.76 -17.84 22.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 73.340000000000003 110.574 177.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 98.91 25.25 9.83 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.186 -1.007 . . . . 62.020000000000003 113.316 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 48.7 mm . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 117.21 0.505 . . . . 54.409999999999997 111.001 -179.764 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 120.966 0.413 . . . . 74.530000000000001 110.083 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -106.53 6.8 30.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.707 -0.679 . . . . 73.219999999999999 110.047 -178.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.5 t -109.38 128.26 54.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.645 -0.707 . . . . 72.140000000000001 110.756 -176.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.458 ' H ' ' HB ' ' A' ' 70' ' ' VAL . 24.9 mm-40 54.91 83.01 0.09 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.946 -0.57 . . . . 63.409999999999997 111.508 177.388 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.766 ' HB2' HG22 ' A' ' 72' ' ' ILE . 65.5 m-85 -79.89 128.85 33.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.034 0.445 . . . . 74.040000000000006 111.101 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.401 ' HB2' HG13 ' A' ' 27' ' ' VAL . 64.1 m-20 -88.26 108.77 19.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.146 0.498 . . . . 73.329999999999998 110.469 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.539 ' O ' ' HB3' ' A' ' 73' ' ' ARG . 43.8 t -129.42 112.59 25.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.569 -0.741 . . . . 74.400000000000006 109.343 178.034 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -121.12 171.57 8.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.265 0.555 . . . . 71.040000000000006 111.675 -176.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.2 t -155.25 141.78 18.76 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.919 -1.037 . . . . 73.209999999999994 108.504 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -77.68 154.4 32.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.909 0.385 . . . . 73.150000000000006 110.812 -175.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.7 16.19 5.63 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.484 -0.865 . . . . 53.109999999999999 112.918 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.9 p -92.75 118.49 31.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.278 0.561 . . . . 51.43 110.385 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -108.53 142.97 38.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.926 -0.579 . . . . 71.230000000000004 109.732 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.4 p -134.23 139.88 47.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.422 -0.354 . . . . 62.210000000000001 110.116 -176.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.0 m120 58.96 26.95 15.64 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.92 0.39 . . . . 65.310000000000002 110.912 -177.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.24 13.59 70.52 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.848 -0.691 . . . . 42.350000000000001 112.349 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.519 ' HB3' HD22 ' A' ' 135' ' ' LEU . 54.8 mt-30 -105.79 139.35 40.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 75.420000000000002 110.562 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -143.22 157.42 44.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.972 -0.558 . . . . 73.439999999999998 109.849 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.58 169.36 19.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.103 -0.499 . . . . 64.150000000000006 109.784 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 65.1 p-90 -95.75 131.04 42.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.504 -0.554 . . . . 74.430000000000007 109.504 177.075 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . 0.519 ' HB1' HG22 ' A' ' 127' ' ' VAL . . . -137.61 136.79 37.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.021 -0.536 . . . . 64.400000000000006 110.627 -176.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -135.25 138.68 43.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.097 0.475 . . . . 71.109999999999999 110.935 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.71 115.69 11.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.595 -0.73 . . . . 61.210000000000001 110.087 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.564 ' HB2' ' HB2' ' A' ' 34' ' ' TYR . 90.4 m-85 -85.16 109.29 18.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.912 -0.585 . . . . 73.219999999999999 110.064 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.401 HG13 ' HB2' ' A' ' 8' ' ' ASP . 2.6 p -108.39 122.91 63.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.567 -0.742 . . . . 63.119999999999997 111.597 -175.402 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -127.59 135.19 49.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.504 -0.771 . . . . 54.229999999999997 109.235 177.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 66.89 14.8 9.97 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.504 0.502 . . . . 73.230000000000004 110.556 -179.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.85 0.08 86.05 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.692 -0.766 . . . . 55.299999999999997 112.15 -176.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.758 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -109.76 142.34 41.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 75.349999999999994 110.554 179.198 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.4 t -89.27 120.16 37.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.286 -0.415 . . . . 74.450000000000003 109.951 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -103.98 -33.97 8.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.85 0.357 . . . . 72.129999999999995 111.243 -177.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.564 ' HB2' ' HB2' ' A' ' 26' ' ' PHE . 98.0 m-85 -122.64 140.98 52.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.869 -0.419 . . . . 71.109999999999999 109.869 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -149.73 133.78 17.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.199 -0.455 . . . . 72.340000000000003 110.552 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -164.19 160.21 21.04 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.009 0.433 . . . . 74.430000000000007 110.832 174.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -169.6 140.23 2.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.531 -0.759 . . . . 62.520000000000003 109.631 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -159.15 176.38 12.31 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.488 -0.56 . . . . 72.120000000000005 109.488 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 t -120.69 154.28 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.683 0.278 . . . . 74.439999999999998 110.556 -175.646 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.92 138.82 10.39 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.959 -0.639 . . . . 60.020000000000003 113.063 176.271 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -133.36 103.14 5.82 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.824 -0.435 . . . . 75.430000000000007 109.824 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -119.98 159.58 46.4 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.372 -0.377 . . . . 74.230000000000004 110.176 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.91 -34.22 96.67 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.545 2.163 . . . . 75.430000000000007 112.001 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.57 -12.54 59.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 62.119999999999997 111.076 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.493 ' HB1' ' HE2' ' A' ' 48' ' ' MET . . . -90.11 5.59 46.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 44.100000000000001 110.983 -177.318 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.13 -28.64 69.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.266 0.555 . . . . 51.049999999999997 110.29 176.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.6 m -93.64 -45.48 7.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.672 -0.694 . . . . 65.530000000000001 109.74 174.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.493 ' HE2' ' HB1' ' A' ' 45' ' ' ALA . 54.1 tpp 71.72 -61.06 0.5 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.017 -0.992 . . . . 72.129999999999995 111.84 176.475 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -178.44 -162.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.168 -0.679 . . . . 74.530000000000001 109.168 -173.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -56.5 -22.98 36.35 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.864 0.364 . . . . 75.040000000000006 110.862 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.457 ' O ' HG12 ' A' ' 55' ' ' ILE . 31.8 t -51.21 -34.56 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 115.649 -0.705 . . . . 74.129999999999995 111.965 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.13 78.52 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.759 0.314 . . . . 72.239999999999995 111.199 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.58 -34.68 56.62 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.553 -0.832 . . . . 63.32 111.676 177.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -68.97 -42.97 75.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.645 0.26 . . . . 61.439999999999998 110.923 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 51' ' ' VAL . 29.3 pt -69.73 -31.68 49.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 72.439999999999998 110.793 178.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.16 -36.42 83.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 73.530000000000001 110.645 175.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.416 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . . . -66.22 -36.85 84.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.136 0.493 . . . . 64.129999999999995 110.649 176.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.17 -26.86 62.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.785 -0.643 . . . . 73.5 110.435 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.6 tp -64.37 -34.08 77.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.83 -0.623 . . . . 70.040000000000006 110.306 178.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 57' ' ' ALA . 22.8 m-85 -62.95 -33.23 74.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 65.310000000000002 110.333 177.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.4 -38.77 78.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 63.030000000000001 110.319 178.149 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.34 -38.67 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.354 0.597 . . . . 75.040000000000006 110.072 176.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -63.57 -36.34 83.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.429 -0.805 . . . . 74.129999999999995 110.114 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -75.16 -39.72 60.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 65.420000000000002 111.028 176.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.427 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -54.4 -35.66 63.11 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.817 0.673 . . . . 74.409999999999997 112.817 -173.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.884 ' HB2' HD11 ' A' ' 109' ' ' ILE . 12.6 t -61.46 -29.55 70.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.082 0.468 . . . . 64.109999999999999 110.885 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -82.42 -23.27 34.95 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.093 -0.503 . . . . 63.210000000000001 110.605 -177.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.6 mp -87.13 -25.25 24.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.902 -0.59 . . . . 63.340000000000003 110.257 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.34 21.87 39.65 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.909 -0.662 . . . . 60.43 111.91 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.458 ' HB ' ' H ' ' A' ' 6' ' ' GLU . 35.3 m -108.33 153.75 9.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 110.184 -0.302 . . . . 73.420000000000002 110.184 -179.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.542 ' HD2' ' N ' ' A' ' 71' ' ' LYS . 8.7 mptt -117.05 176.24 5.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.479 0.657 . . . . 72.439999999999998 111.072 -175.768 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.766 HG22 ' HB2' ' A' ' 7' ' ' TYR . 39.1 pt -124.06 161.13 27.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.348 -0.842 . . . . 53.399999999999999 109.007 173.331 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.539 ' HB3' ' O ' ' A' ' 9' ' ' VAL . 1.1 tmm_? -76.39 102.59 6.01 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.472 -0.936 . . . . 75.430000000000007 108.472 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ILE . . . . . 0.834 HD13 ' HB2' ' A' ' 110' ' ' TYR . 6.0 tp . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 121.469 0.652 . . . . 72.329999999999998 112.271 -172.663 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 61.2 mmt-85 . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.128 -0.693 . . . . 72.230000000000004 109.128 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 162.13 -46.59 0.35 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.882 -0.675 . . . . 70.439999999999998 111.502 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.884 HD11 ' HB2' ' A' ' 66' ' ' SER . 2.7 mp -71.34 -33.74 51.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.452 -0.944 . . . . 63.409999999999997 108.452 173.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.834 ' HB2' HD13 ' A' ' 74' ' ' ILE . 12.9 p90 -149.46 146.04 27.22 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 114.659 -1.155 . . . . 73.340000000000003 109.438 177.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.6 p -161.23 130.0 4.53 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.971 -0.751 . . . . 51.539999999999999 108.971 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -112.47 137.64 50.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.465 0.65 . . . . 70.219999999999999 111.992 -171.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -129.7 155.59 45.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.813 -1.085 . . . . 72.519999999999996 109.063 175.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -70.52 90.51 0.74 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.301 0.572 . . . . 72.219999999999999 109.513 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 29.1 m -118.77 161.24 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.612 -0.722 . . . . 71.140000000000001 110.469 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.675 ' HD2' ' H ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -75.98 157.36 33.19 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 116.112 -0.495 . . . . 75.530000000000001 110.174 178.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.37 108.48 4.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.968 -0.56 . . . . 74.420000000000002 110.956 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -130.58 14.28 5.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.283 0.563 . . . . 75.010000000000005 110.195 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.2 p -106.13 22.92 14.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.512 -0.767 . . . . 43.43 110.463 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -77.59 57.95 3.79 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.968 -0.56 . . . . 65.420000000000002 112.65 -177.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -71.8 167.13 20.6 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 122.743 0.417 . . . . 74.129999999999995 110.409 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -61.42 -19.44 61.95 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.868 -0.605 . . . . 65.010000000000005 112.053 -176.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -71.15 -28.25 64.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.516 -0.311 . . . . 73.219999999999999 111.761 -177.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -66.12 -29.13 69.38 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.635 0.255 . . . . 72.319999999999993 111.357 -175.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.78 -26.05 66.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 60.43 110.903 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -72.17 -48.7 41.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.041 -0.527 . . . . 73.230000000000004 110.785 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.519 HG22 ' HB1' ' A' ' 23' ' ' ALA . 10.9 p -76.78 -21.44 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 121.163 0.506 . . . . 52.140000000000001 110.092 -179.303 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -54.35 -40.45 68.1 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.439 -0.8 . . . . 52.409999999999997 110.902 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 52.6 ttp -56.74 -44.87 82.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.874 -0.603 . . . . 73.140000000000001 111.053 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -70.86 -34.99 72.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.213 -0.449 . . . . 72.329999999999998 110.405 -176.145 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.38 -47.36 56.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.078 -0.51 . . . . 74.329999999999998 111.378 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LYS . . . . . 0.627 ' HD3' HD12 ' A' ' 135' ' ' LEU . 25.8 mmtp -67.6 -29.39 68.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.391 -0.368 . . . . 74.430000000000007 111.425 -176.424 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 52.4 m -64.11 -33.88 76.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.88 0.371 . . . . 64.239999999999995 110.691 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.12 -15.36 59.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.127 0.489 . . . . 70.120000000000005 111.058 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 0.627 HD12 ' HD3' ' A' ' 132' ' ' LYS . 96.5 mt -89.01 -10.96 45.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.181 0.515 . . . . 73.530000000000001 110.129 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 101.08 21.15 12.18 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.497 -0.858 . . . . 75.420000000000002 112.427 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' A' ' 135' ' ' LEU . 1.9 mp . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 109.482 -0.562 . . . . 62.439999999999998 109.482 176.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 . . . . . 0 N--CA 1.466 0.335 0 CA-C-O 121.002 0.43 . . . . 55.310000000000002 111.918 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -115.34 4.63 14.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.447 0.641 . . . . 63.25 109.991 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.9 p -125.38 96.22 4.74 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.717 -0.674 . . . . 73.450000000000003 111.322 -177.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.488 ' H ' HG11 ' A' ' 70' ' ' VAL . 39.0 tt0 68.51 124.17 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.908 0.755 . . . . 62.100000000000001 112.127 176.408 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.619 ' HB2' HG22 ' A' ' 72' ' ' ILE . 97.5 m-85 -94.11 129.5 40.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.953 -0.567 . . . . 75.219999999999999 109.989 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -94.1 126.43 39.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.123 0.487 . . . . 64.219999999999999 110.11 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.568 ' HB ' ' O ' ' A' ' 73' ' ' ARG . 45.5 t -130.38 134.8 61.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.648 -0.706 . . . . 75.099999999999994 109.228 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 25' ' ' ALA . 53.9 p90 -122.28 152.94 39.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.018 0.437 . . . . 72.439999999999998 110.726 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.0 t -160.41 179.57 8.52 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.432 -0.804 . . . . 51.520000000000003 109.126 -176.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 t70 67.8 154.53 0.1 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.907 0.754 . . . . 73.349999999999994 110.879 -174.444 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.55 -74.22 0.07 OUTLIER Glycine 0 N--CA 1.442 -0.958 0 C-N-CA 120.184 -1.007 . . . . 72.209999999999994 112.627 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 t -129.49 118.0 21.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.264 0.554 . . . . 62.119999999999997 112.366 -172.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -122.61 106.59 11.11 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.321 -1.362 . . . . 71.549999999999997 107.321 167.106 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.8 p -141.56 139.85 31.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.822 0.344 . . . . 74.530000000000001 111.265 -173.791 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 61.92 28.46 17.34 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.696 -0.684 . . . . 72.140000000000001 111.866 174.174 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.88 7.92 86.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.616 -0.802 . . . . 34.149999999999999 112.562 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 1.056 ' HB3' ' HG ' ' A' ' 135' ' ' LEU . 77.1 mm-40 -93.98 132.78 38.11 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.711 -0.477 . . . . 74.519999999999996 109.711 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -147.4 154.47 40.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.888 0.375 . . . . 75.109999999999999 110.376 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 38' ' ' ASP . . . -155.4 169.47 24.15 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.794 -0.639 . . . . 51.509999999999998 109.742 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TRP . . . . . 0.713 ' CD1' ' HB3' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -94.01 130.34 40.17 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.643 -1.243 . . . . 64.099999999999994 107.643 177.542 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.23 133.75 30.11 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 120.203 -0.599 . . . . 42.210000000000001 110.588 177.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -150.06 147.86 28.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.005 -0.543 . . . . 74.129999999999995 109.744 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ALA . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 10' ' ' TYR . . . -148.45 124.09 10.46 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.135 -0.484 . . . . 72.010000000000005 110.118 174.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -90.97 112.62 24.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.614 -0.721 . . . . 60.009999999999998 109.421 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.03 124.83 59.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.57 0.7 . . . . 62.350000000000001 111.934 -172.299 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.543 ' HB2' ' HZ2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -170.19 156.4 5.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.976 -1.011 . . . . 72.129999999999995 108.498 177.743 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 77.33 17.56 1.5 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.56 0.744 . . . . 73.239999999999995 109.975 -176.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.87 2.91 89.05 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.891 -0.595 . . . . 73.140000000000001 112.471 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.67 179.89 7.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.712 0.291 . . . . 33.109999999999999 110.655 -177.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.552 HG11 ' HB2' ' A' ' 35' ' ' GLU . 53.3 t -79.34 115.71 22.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.779 -0.452 . . . . 61.109999999999999 109.779 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -79.58 -33.71 41.45 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.766 -0.457 . . . . 74.319999999999993 109.766 -177.599 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -156.77 144.47 19.2 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.963 -0.562 . . . . 73.510000000000005 110.814 174.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.552 ' HB2' HG11 ' A' ' 32' ' ' VAL . 17.3 tt0 -150.18 132.88 15.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.647 -0.706 . . . . 51.43 110.421 -175.553 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -165.83 163.91 18.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.803 -0.443 . . . . 71.420000000000002 109.803 174.056 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.75 125.34 6.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.867 -0.151 . . . . 61.149999999999999 111.403 -176.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.713 ' HB3' ' CD1' ' A' ' 22' ' ' TRP . 40.7 t0 -90.26 163.93 14.58 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.994 -0.743 . . . . 71.409999999999997 108.994 174.692 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.735 HG23 ' HG3' ' A' ' 41' ' ' LYS . 8.1 m -92.04 152.36 3.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 110.251 -0.277 . . . . 70.319999999999993 110.251 177.142 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.5 75.93 0.82 Allowed Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 121.064 -0.589 . . . . 73.450000000000003 113.334 -174.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.735 ' HG3' HG23 ' A' ' 39' ' ' VAL . 13.8 mtpp -124.25 -169.98 2.06 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.303 -0.999 . . . . 72.239999999999995 108.303 176.082 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -76.81 143.72 71.64 Favored Pre-proline 0 C--N 1.317 -0.812 0 C-N-CA 120.887 -0.325 . . . . 71.510000000000005 110.16 176.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.35 -22.63 75.09 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.182 2.588 . . . . 74.310000000000002 113.1 -175.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.4 -18.44 58.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.445 -0.343 . . . . 63.119999999999997 111.029 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.09 -69.31 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.087 0.47 . . . . 70.099999999999994 111.498 -177.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.66 -44.06 14.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.847 -0.615 . . . . 71.340000000000003 111.95 -173.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.63 14.04 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.499 0.666 . . . . 74.230000000000004 111.634 -174.337 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 54.5 ttm -99.17 100.66 11.8 Favored 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 107.265 -1.383 . . . . 62.229999999999997 107.265 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.636 ' HG3' ' H ' ' A' ' 50' ' ' ASN . 8.6 tpp180 78.64 -170.07 0.05 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 113.816 -1.538 . . . . 74.019999999999996 108.769 -174.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.636 ' H ' ' HG3' ' A' ' 49' ' ' ARG . 76.7 m-20 71.69 -85.3 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 122.818 0.447 . . . . 74.340000000000003 110.997 178.32 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' VAL . . . . . 0.639 HG21 ' HB2' ' A' ' 38' ' ' ASP . 19.7 t -64.22 -35.92 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.030000000000001 111.142 -174.099 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.42 -27.29 64.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.808 -0.633 . . . . 72.109999999999999 111.868 -176.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.34 -43.79 36.83 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.673 -0.775 . . . . 62.119999999999997 112.27 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.31 -29.4 67.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.832 0.349 . . . . 62.130000000000003 111.449 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 51' ' ' VAL . 47.0 mm -71.42 -29.52 35.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.46 -0.337 . . . . 75.230000000000004 111.033 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.37 -36.47 63.9 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.608 0.596 . . . . 43.450000000000003 112.608 -174.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.11 -36.73 84.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.928 0.394 . . . . 75.510000000000005 111.167 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -74.84 -25.78 59.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.107 -0.497 . . . . 73.010000000000005 110.461 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.51 HD21 ' HE3' ' A' ' 63' ' ' LYS . 7.3 tt -63.26 -35.43 80.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.984 -0.553 . . . . 74.430000000000007 110.373 178.724 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -67.33 -37.44 83.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.251 -0.432 . . . . 74.209999999999994 110.336 176.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.55 97.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.508 . . . . 74.219999999999999 110.411 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.497 HG13 ' HB ' ' A' ' 109' ' ' ILE . 98.2 t -62.44 -39.29 83.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 115.901 -0.59 . . . . 70.219999999999999 110.422 176.427 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.51 ' HE3' HD21 ' A' ' 59' ' ' LEU . 88.5 mttt -59.54 -46.45 88.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 74.530000000000001 111.112 177.356 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' O ' HD13 ' A' ' 68' ' ' LEU . 48.2 mtpt -68.55 -28.71 67.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.555 -0.293 . . . . 72.25 111.228 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.42 ' HB3' HG21 ' A' ' 109' ' ' ILE . . . -61.55 -28.72 69.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.454 -0.339 . . . . 75.219999999999999 111.14 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.672 ' HA ' HD11 ' A' ' 109' ' ' ILE . 23.0 t -66.15 -39.64 89.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.008 0.432 . . . . 74.340000000000003 110.037 178.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -70.51 -41.66 72.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.972 -0.558 . . . . 71.549999999999997 109.978 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 64' ' ' LYS . 8.1 mp -68.67 -23.27 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.416 -0.811 . . . . 64.340000000000003 110.913 179.223 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.92 34.75 29.7 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.032 -0.604 . . . . 41.399999999999999 112.554 176.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.488 HG11 ' H ' ' A' ' 6' ' ' GLU . 27.7 m -123.62 170.64 13.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.812 0.339 . . . . 60.43 110.862 -178.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -115.58 163.35 15.9 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.565 -0.531 . . . . 75.319999999999993 109.565 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.619 HG22 ' HB2' ' A' ' 7' ' ' TYR . 2.6 pp -108.25 158.41 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.752 -0.379 . . . . 65.349999999999994 110.347 174.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.568 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 97.3 mtt180 -91.99 108.82 20.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.313 0.577 . . . . 72.129999999999995 111.121 -178.058 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.5 tt . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.321 -0.854 . . . . 73.219999999999999 110.636 -176.617 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.494 ' HA ' ' CE1' ' A' ' 110' ' ' TYR . 4.1 tmt_? . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.977 0.417 . . . . 64.430000000000007 110.352 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 168.41 -52.63 0.22 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.957 -0.639 . . . . 74.420000000000002 111.611 -177.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ILE . . . . . 0.672 HD11 ' HA ' ' A' ' 66' ' ' SER . 39.9 mm -81.92 -36.63 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.065 0.46 . . . . 41.119999999999997 110.108 176.321 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' TYR . . . . . 0.494 ' CE1' ' HA ' ' A' ' 107' ' ' ARG . 28.8 p90 -97.84 143.49 28.4 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.041 -0.726 . . . . 71.109999999999999 109.041 171.286 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.5 p -173.68 130.06 0.42 Allowed 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.974 -0.75 . . . . 70.219999999999999 108.974 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -101.74 137.55 39.9 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.265 0.555 . . . . 73.450000000000003 111.09 -173.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -131.66 149.96 52.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.099 -0.955 . . . . 71.040000000000006 108.983 177.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -86.94 79.07 8.87 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 121.628 0.728 . . . . 62.039999999999999 109.996 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 35.6 m -126.66 163.05 29.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 114.685 -1.143 . . . . 73.25 109.158 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LYS . . . . . 0.686 ' HD3' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -70.44 130.04 40.87 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.459 -0.571 . . . . 71.540000000000006 109.459 175.724 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 177.71 75.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 71.200000000000003 111.422 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -144.99 21.9 1.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.358 0.599 . . . . 72.319999999999993 109.953 171.361 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.1 m -104.82 35.2 2.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.559 -0.746 . . . . 64.319999999999993 110.35 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -78.06 -135.25 0.87 Allowed Glycine 0 CA--C 1.519 0.343 0 C-N-CA 121.094 -0.574 . . . . 31.510000000000002 113.692 -174.464 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -86.45 162.6 18.03 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.202 -0.296 . . . . 71.420000000000002 110.202 -175.234 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -74.99 5.0 5.64 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.925 0.393 . . . . 74.519999999999996 111.427 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 10' ' ' TYR . 40.4 m-85 -60.69 -23.5 64.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.972 -0.558 . . . . 73.019999999999996 110.62 172.117 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASN . . . . . 0.478 ' HA ' HG12 ' A' ' 127' ' ' VAL . 31.2 p-10 -61.14 -28.57 69.21 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.971 0.415 . . . . 64.239999999999995 110.417 176.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 128' ' ' ASP . 21.7 t70 -75.97 -33.29 59.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.566 0.698 . . . . 71.430000000000007 110.305 174.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' TYR . . . . . 0.417 ' HB3' ' O ' ' A' ' 123' ' ' PHE . 44.1 t80 -65.03 -41.92 94.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.201 -0.909 . . . . 71.409999999999997 110.443 177.34 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' VAL . . . . . 0.478 HG12 ' HA ' ' A' ' 124' ' ' ASN . 12.4 p -77.22 -20.26 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 120.902 0.382 . . . . 73.140000000000001 110.578 177.429 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ASP . . . . . 0.488 ' HB3' ' O ' ' A' ' 125' ' ' ASP . 5.6 t70 -60.66 -43.75 97.25 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.053 0.454 . . . . 75.310000000000002 110.325 174.243 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 71.7 mtm -66.86 -32.94 74.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.816 -0.629 . . . . 73.549999999999997 110.422 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -60.68 -48.58 81.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 64.140000000000001 110.451 174.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.26 -39.94 80.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.998 -0.547 . . . . 73.140000000000001 111.119 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -55.41 -50.23 70.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.415 0.626 . . . . 74.239999999999995 110.561 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.9 t -74.73 -32.49 62.13 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.255 -0.884 . . . . 41.329999999999998 110.96 -174.144 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.7 -31.34 72.22 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.643 0.608 . . . . 70.030000000000001 112.643 -174.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' LEU . . . . . 1.056 ' HG ' ' HB3' ' A' ' 19' ' ' GLN . 3.7 mm? -83.83 -8.31 59.25 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.061 -0.255 . . . . 73.349999999999994 111.072 -175.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 116.36 4.8 17.52 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.036 -1.078 . . . . 52.329999999999998 113.152 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 48.8 mt . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 109.418 -0.586 . . . . 74.519999999999996 109.418 176.837 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.49 ' HB3' ' OD1' ' A' ' 29' ' ' ASP . 1.3 mpt? . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 121.127 0.489 . . . . 71.439999999999998 110.101 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -127.9 156.84 41.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.637 -0.71 . . . . 65.209999999999994 109.536 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -84.29 23.86 1.04 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.959 0.409 . . . . 72.439999999999998 111.239 -176.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -74.26 -23.58 59.15 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.496 0.665 . . . . 74.329999999999998 110.093 172.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.1 p -94.79 93.74 7.67 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.382 -0.826 . . . . 63.350000000000001 111.202 -176.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 57.21 173.88 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 O-C-N 124.2 0.938 . . . . 51.420000000000002 113.008 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -137.16 143.11 42.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.929 -1.032 . . . . 73.540000000000006 108.474 172.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.484 ' HB2' HG13 ' A' ' 27' ' ' VAL . 18.0 m-20 -113.64 138.86 49.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.849 0.357 . . . . 64.219999999999999 110.316 -177.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.7 t -128.82 111.02 22.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.594 -0.521 . . . . 74.420000000000002 109.594 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.777 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 47.9 m-85 -86.26 126.85 34.58 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.799 -0.445 . . . . 75.319999999999993 109.799 177.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.523 HG23 ' HB2' ' A' ' 76' ' ' HIS . 14.9 t -152.1 12.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.303 -0.408 . . . . 63.439999999999998 111.596 -175.757 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.421 ' HB3' HD21 ' A' ' 124' ' ' ASN . 36.2 t70 -85.96 79.03 9.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.431 0.634 . . . . 75.349999999999994 110.788 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.66 108.47 3.67 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.088 -1.205 . . . . 73.329999999999998 110.088 171.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.4 p -58.01 120.75 9.1 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.094 0.473 . . . . 73.140000000000001 111.445 -176.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -69.13 148.5 49.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.611 -0.722 . . . . 64.430000000000007 110.575 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.409 HG22 ' OD1' ' A' ' 17' ' ' ASN . 13.6 p -128.45 130.55 69.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.148 -0.478 . . . . 73.219999999999999 110.255 -177.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.409 ' OD1' HG22 ' A' ' 16' ' ' VAL . 27.6 m120 60.52 28.7 18.38 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.731 -0.668 . . . . 63.210000000000001 111.051 -177.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.54 -12.13 35.44 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 121.015 -0.612 . . . . 74.200000000000003 112.942 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -74.14 127.03 31.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.888 0.375 . . . . 62.119999999999997 110.928 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -98.35 134.44 41.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.826 -0.624 . . . . 73.319999999999993 110.552 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -125.35 150.23 47.38 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.449 -0.945 . . . . 61.25 108.449 172.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -96.45 129.97 43.7 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.042 -0.663 . . . . 70.430000000000007 110.296 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.791 ' HB1' HG22 ' A' ' 127' ' ' VAL . . . -127.73 135.56 50.33 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.314 -0.857 . . . . 71.230000000000004 108.72 177.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -141.98 137.6 31.32 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.196 0.522 . . . . 74.239999999999995 111.239 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.777 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . . . -131.79 112.5 12.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.083 -0.962 . . . . 61.049999999999997 109.673 176.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -84.54 102.96 13.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.307 0.575 . . . . 71.439999999999998 109.928 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.566 ' HB ' HG22 ' A' ' 32' ' ' VAL . 2.5 p -111.54 130.84 64.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.362 -0.835 . . . . 55.350000000000001 111.242 -176.305 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 29' ' ' ASP . 21.9 mtpp -130.95 135.41 47.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.273 -0.876 . . . . 74.25 108.888 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.49 ' OD1' ' HB3' ' A' ' 1' ' ' MET . 29.9 t70 69.16 9.22 7.26 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.853 0.835 . . . . 73.200000000000003 110.623 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.12 -1.22 79.84 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.708 -0.758 . . . . 72.299999999999997 111.524 -175.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -103.74 127.16 51.24 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.577 -0.527 . . . . 74.430000000000007 109.577 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.566 HG22 ' HB ' ' A' ' 27' ' ' VAL . 71.3 t -81.38 118.02 28.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.471 -0.566 . . . . 64.450000000000003 109.471 178.586 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -71.73 -40.45 69.41 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.827 -0.434 . . . . 71.439999999999998 109.827 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -171.96 160.6 5.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.698 -0.683 . . . . 74.519999999999996 109.167 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.74 160.29 40.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.373 -0.376 . . . . 73.439999999999998 110.407 175.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -162.47 166.92 24.32 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.935 -0.765 . . . . 71.519999999999996 108.935 177.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.425 ' HB3' ' HG3' ' A' ' 130' ' ' LYS . . . -165.97 139.64 4.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.679 -0.237 . . . . 54.509999999999998 110.77 -175.512 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.59 ' HA ' ' CB ' ' A' ' 134' ' ' ALA . 18.8 t0 -162.24 173.61 13.99 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.528 -0.545 . . . . 72.319999999999993 109.528 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.9 m -95.13 156.58 3.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.728 0.299 . . . . 75.409999999999997 110.905 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.29 92.49 0.44 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.674 -0.774 . . . . 73.019999999999996 112.217 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -100.58 89.29 3.87 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.858 -0.423 . . . . 75.409999999999997 109.858 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -137.29 150.66 69.6 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.922 -0.581 . . . . 72.310000000000002 109.928 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.6 -36.59 92.17 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.814 2.342 . . . . 75.209999999999994 112.74 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.78 -6.03 46.68 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.135 0.42 . . . . 74.329999999999998 112.135 -177.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.547 ' HB1' HH21 ' A' ' 49' ' ' ARG . . . -73.62 -6.93 49.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.725 0.298 . . . . 71.420000000000002 111.441 -178.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.569 ' HA ' ' O ' ' A' ' 49' ' ' ARG . . . -63.25 -21.23 66.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 71.310000000000002 111.037 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.9 m -58.63 -29.89 66.87 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.212 0.53 . . . . 62.039999999999999 110.961 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.4 mtm -107.94 -46.35 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 73.340000000000003 110.356 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.569 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 26.4 mtm-85 -111.23 105.89 14.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.698 -0.683 . . . . 55.509999999999998 110.138 -176.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -82.01 10.0 7.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.977 -0.556 . . . . 71.099999999999994 111.18 -173.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.5 t -53.87 -29.44 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 115.607 -0.724 . . . . 63.509999999999998 111.106 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.37 -23.57 16.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.614 -0.721 . . . . 74.329999999999998 111.756 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.51 -50.13 64.41 Favored Glycine 0 C--N 1.334 0.427 0 C-N-CA 120.94 -0.648 . . . . 74.439999999999998 111.935 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -66.03 -38.42 88.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.917 0.389 . . . . 64.549999999999997 110.083 177.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.31 -30.85 51.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.851 -0.613 . . . . 72.109999999999999 110.698 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.44 -39.53 70.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.215 -0.448 . . . . 54.43 110.64 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.443 ' HA ' ' HD2' ' A' ' 60' ' ' TYR . . . -72.15 -28.94 63.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.14 0.495 . . . . 34.32 110.488 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -66.23 -24.9 66.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.839 -0.619 . . . . 42.039999999999999 110.632 175.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.25 -39.27 93.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.346 -0.613 . . . . 72.150000000000006 109.346 176.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.443 ' HD2' ' HA ' ' A' ' 57' ' ' ALA . 97.4 m-85 -68.57 -33.48 74.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.853 -0.612 . . . . 72.530000000000001 110.244 176.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.53 -39.1 91.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.164 -0.471 . . . . 74.099999999999994 110.322 176.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 58' ' ' ALA . 92.7 t -62.99 -43.91 99.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.985 -0.552 . . . . 71.209999999999994 110.259 175.223 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -66.47 -39.21 88.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.079 -0.509 . . . . 64.439999999999998 110.237 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -66.26 -35.81 81.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.721 -0.672 . . . . 71.219999999999999 111.047 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.52 -32.98 67.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 55.109999999999999 111.344 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -38.86 72.16 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.095 -0.502 . . . . 63.310000000000002 110.61 177.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -71.15 -33.11 69.73 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.482 -0.781 . . . . 70.430000000000007 111.053 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.8 mp -83.11 -24.71 32.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.202 -0.454 . . . . 72.040000000000006 111.004 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.87 14.31 46.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.829 -0.7 . . . . 74.299999999999997 112.099 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.58 172.0 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 110.168 -0.308 . . . . 75.430000000000007 110.168 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 109' ' ' ILE . 31.5 pttt -153.65 178.18 10.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.531 0.205 . . . . 72.129999999999995 110.729 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.9 pp -124.73 166.64 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.304 -0.407 . . . . 72.340000000000003 110.172 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -135.36 141.75 45.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.631 -0.258 . . . . 74.140000000000001 110.307 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.494 HG23 ' HD1' ' A' ' 112' ' ' PHE . 20.8 tt -105.26 139.52 26.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.4 -0.593 . . . . 63.329999999999998 109.4 174.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.2 mp -119.96 24.33 10.56 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.894 0.331 . . . . 75.310000000000002 111.894 -172.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.523 ' HB2' HG23 ' A' ' 11' ' ' THR . 5.4 t60 -142.22 -80.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 119.759 -0.776 . . . . 75.319999999999993 112.025 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -93.57 122.88 36.46 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.231 0.539 . . . . 64.099999999999994 111.596 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -137.96 1.42 2.27 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.245 -0.889 . . . . 72.310000000000002 108.631 174.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.61 -48.8 5.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.059 -0.973 . . . . 70.120000000000005 111.535 -174.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.66 -28.38 73.73 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.863 -0.684 . . . . 72.400000000000006 112.416 -175.185 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.491 ' HA ' ' CZ3' ' A' ' 84' ' ' TRP . 56.9 mt -65.3 -26.67 40.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.038 0.446 . . . . 75.25 111.176 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.646 ' HA ' ' HG ' ' A' ' 102' ' ' LEU . . . -75.02 -9.95 59.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.128 0.418 . . . . 63.0 112.128 -175.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -71.94 -47.03 55.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.837 0.351 . . . . 74.510000000000005 111.375 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.491 ' CZ3' ' HA ' ' A' ' 81' ' ' ILE . 5.4 m-90 -73.29 -18.06 61.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.443 -0.344 . . . . 63.43 111.816 -173.34 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.775 ' HB2' ' HB3' ' A' ' 102' ' ' LEU . . . -66.8 -21.29 66.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 42.140000000000001 111.396 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.2 t -119.58 27.45 8.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.117 0.484 . . . . 62.43 110.415 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -55.04 -72.6 0.53 Allowed Glycine 0 C--N 1.334 0.447 0 CA-C-N 115.502 -0.772 . . . . 64.099999999999994 112.874 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -96.08 -59.4 1.85 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.602 0.715 . . . . 74.319999999999993 110.322 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.416 ' CG ' ' N ' ' A' ' 90' ' ' LYS . 18.1 t90 -174.29 -164.61 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.331 -1.359 . . . . 73.239999999999995 107.331 -172.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.416 ' N ' ' CG ' ' A' ' 89' ' ' TRP . 0.4 OUTLIER -54.21 134.29 44.61 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.115 0.484 . . . . 73.340000000000003 111.486 -179.761 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.4 114.52 5.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.009 -0.996 . . . . 73.049999999999997 111.571 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 93' ' ' ASN . 28.0 mttp -99.8 121.8 41.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.65 -0.704 . . . . 75.450000000000003 109.498 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' A' ' 92' ' ' LYS . 24.7 t-20 71.47 157.88 0.18 Allowed 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.481 0.488 . . . . 72.150000000000006 110.149 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.511 ' HA ' ' HB2' ' A' ' 97' ' ' GLN . 40.0 mt-10 -59.47 -23.58 62.86 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.312 -0.243 . . . . 75.540000000000006 111.493 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.77 -54.86 40.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.782 0.325 . . . . 74.420000000000002 110.659 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.8 m -71.27 -29.09 64.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.865 0.364 . . . . 70.120000000000005 110.539 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.667 ' HG2' ' HG2' ' A' ' 103' ' ' MET . 41.3 mt-30 -63.87 -33.45 75.72 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.392 -0.367 . . . . 75.129999999999995 111.164 176.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.11 -34.83 71.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.352 . . . . 60.240000000000002 110.327 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -68.11 -39.08 82.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.689 -0.687 . . . . 74.310000000000002 110.256 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.659 ' HB1' ' HA ' ' A' ' 85' ' ' ALA . . . -69.89 -43.88 70.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 71.209999999999994 110.704 177.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 51.4 tptt 69.79 -54.02 0.61 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.368 -0.833 . . . . 75.439999999999998 111.91 177.122 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.775 ' HB3' ' HB2' ' A' ' 85' ' ' ALA . 2.4 tm? -64.38 -20.62 66.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.914 0.388 . . . . 72.439999999999998 110.187 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.667 ' HG2' ' HG2' ' A' ' 97' ' ' GLN . 14.3 tpt -54.87 -27.53 43.36 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.087 -0.506 . . . . 74.129999999999995 110.705 177.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -55.44 -17.7 5.6 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.591 0.757 . . . . 64.25 111.789 177.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 102' ' ' LEU . 1.0 OUTLIER -48.05 -40.03 21.8 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.172 0.804 . . . . 74.439999999999998 113.172 -176.495 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -71.09 -21.42 62.23 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.202 0.525 . . . . 74.109999999999999 110.37 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -79.89 118.28 21.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.661 -0.7 . . . . 74.030000000000001 109.725 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.07 19.09 2.29 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 121.358 -0.449 . . . . 65.209999999999994 114.045 -172.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 4.0 mp -97.07 -11.39 8.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.699 0.762 . . . . 65.239999999999995 109.37 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -126.13 144.28 50.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.549 -0.751 . . . . 72.129999999999995 109.336 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.5 p -169.05 171.39 8.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.945 -0.391 . . . . 72.239999999999995 109.945 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.494 ' HD1' HG23 ' A' ' 74' ' ' ILE . 78.2 t80 -122.0 135.22 54.83 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.507 -0.553 . . . . 75.099999999999994 109.507 176.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -128.8 124.54 35.68 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.36 -0.607 . . . . 73.010000000000005 109.36 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -107.88 110.8 22.66 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.267 0.556 . . . . 64.450000000000003 110.909 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.3 m -121.1 162.32 20.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.396 -0.82 . . . . 72.299999999999997 109.819 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -111.33 101.83 10.27 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.692 -0.484 . . . . 75.109999999999999 109.692 175.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -142.4 117.03 9.75 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.977 -0.556 . . . . 73.340000000000003 110.888 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -95.1 12.39 28.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.483 0.659 . . . . 70.239999999999995 109.682 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.1 m -87.99 36.53 0.77 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.084 -0.962 . . . . 52.219999999999999 110.321 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.29 119.05 11.62 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.593 -0.73 . . . . 65.019999999999996 113.112 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.562 HD21 ' HD2' ' A' ' 123' ' ' PHE . 49.7 t30 -54.38 145.78 17.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.782 -0.709 . . . . 63.340000000000003 110.107 175.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -53.61 -33.87 56.5 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 111.964 0.357 . . . . 73.120000000000005 111.964 -173.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.562 ' HD2' HD21 ' A' ' 121' ' ' ASN . 74.2 m-85 -63.49 -30.96 72.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.418 -0.356 . . . . 74.409999999999997 111.455 -178.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.421 HD21 ' HB3' ' A' ' 12' ' ' ASP . 9.0 t30 -77.86 -36.55 49.79 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.039 -0.356 . . . . 62.329999999999998 110.039 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.76 -33.67 74.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.292 0.567 . . . . 65.420000000000002 110.032 177.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -60.68 -46.77 89.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.137 -0.938 . . . . 72.109999999999999 110.715 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.791 HG22 ' HB1' ' A' ' 23' ' ' ALA . 9.9 p -78.25 -26.63 14.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.669 0.271 . . . . 70.319999999999993 110.849 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.464 ' O ' ' HD3' ' A' ' 132' ' ' LYS . 14.9 t70 -62.5 -49.45 75.29 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.754 0.311 . . . . 75.310000000000002 110.485 178.363 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 25.1 ptm -63.69 -31.64 72.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.393 -0.367 . . . . 74.530000000000001 110.294 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.425 ' HG3' ' HB3' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -63.51 -36.13 82.74 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.25 -0.432 . . . . 51.119999999999997 110.417 176.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -67.17 -38.54 85.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.166 -0.47 . . . . 54.020000000000003 110.703 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.464 ' HD3' ' O ' ' A' ' 128' ' ' ASP . 0.5 OUTLIER -62.78 -34.25 76.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.123 0.487 . . . . 74.040000000000006 110.512 177.855 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.6 t -60.25 -34.53 73.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.577 -0.738 . . . . 73.349999999999994 110.506 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.59 ' CB ' ' HA ' ' A' ' 38' ' ' ASP . . . -72.48 -25.69 61.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 74.209999999999994 111.681 -177.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 135' ' ' LEU . 4.1 mm? -85.25 -9.69 57.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.095 0.474 . . . . 73.230000000000004 109.944 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 97.53 20.56 21.96 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.551 -0.833 . . . . 51.109999999999999 112.322 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.0 mp -86.89 111.56 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.4 0.619 . . . . 73.340000000000003 110.453 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -114.62 -176.03 2.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.066 -0.97 . . . . 74.010000000000005 108.771 171.445 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.47 138.03 58.38 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.889 -1.152 . . . . 74.109999999999999 107.889 168.311 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.67 -15.3 62.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.157 0.503 . . . . 74.040000000000006 111.449 -173.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -81.24 -3.84 53.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.766 -0.652 . . . . 71.109999999999999 110.681 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -125.92 151.22 47.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.255 -0.429 . . . . 74.340000000000003 110.173 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -141.63 150.95 42.64 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.859 -0.423 . . . . 61.049999999999997 109.859 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -139.32 100.58 4.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.077 0.465 . . . . 75.209999999999994 110.654 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -142.87 170.02 16.49 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.891 -0.595 . . . . 64.409999999999997 110.477 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -136.17 159.51 41.52 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.143 -0.688 . . . . 74.120000000000005 109.143 174.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.501 -0.761 . . . . 64.129999999999995 109.681 179.172 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.429 ' HB2' ' OD1' ' A' ' 3' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 109.852 -0.425 . . . . 62.539999999999999 109.852 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -127.26 9.94 6.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.145 -0.479 . . . . 74.239999999999995 110.258 -178.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.429 ' OD1' ' HB2' ' A' ' 1' ' ' MET . 10.3 p-10 -78.48 81.47 4.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.912 0.863 . . . . 74.140000000000001 111.205 -177.485 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 4' ' ' ARG . 12.6 ptt180 -100.22 3.64 43.77 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.143 -1.058 . . . . 73.120000000000005 108.143 167.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.78 131.45 45.98 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 114.244 -1.344 . . . . 70.409999999999997 110.018 177.146 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.568 ' HG3' HH22 ' A' ' 73' ' ' ARG . 8.9 pt-20 -58.14 143.83 42.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.824 0.345 . . . . 74.25 110.772 -178.597 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.621 ' HB2' HG22 ' A' ' 72' ' ' ILE . 10.2 m-85 -72.75 131.59 42.54 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.702 0.63 . . . . 75.0 112.702 -167.487 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -113.45 130.56 56.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.11 -0.95 . . . . 63.219999999999999 109.562 176.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.6 t -121.36 111.73 32.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.515 -0.55 . . . . 75.329999999999998 109.515 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.421 ' HD1' HG11 ' A' ' 27' ' ' VAL . 76.0 m-85 -101.03 113.97 27.47 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.593 0.711 . . . . 72.329999999999998 110.001 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.558 HG23 ' HB2' ' A' ' 76' ' ' HIS . 1.6 t -141.71 94.44 2.68 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.862 -1.063 . . . . 71.540000000000006 110.041 -176.409 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.731 ' HB2' ' HB2' ' A' ' 124' ' ' ASN . 3.2 t0 -98.47 -166.62 1.39 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.702 -0.851 . . . . 63.439999999999998 108.702 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.97 67.09 2.11 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.755 -0.736 . . . . 61.5 111.788 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.509 ' HA ' ' CE1' ' A' ' 76' ' ' HIS . 45.9 m -77.66 -82.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.092 -0.336 . . . . 64.409999999999997 110.092 177.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -146.89 128.96 15.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.797 0.332 . . . . 75.400000000000006 110.364 174.042 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 p -114.55 125.22 71.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.943 -0.571 . . . . 51.310000000000002 109.99 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 91.7 m-20 57.66 26.87 13.47 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.713 -0.676 . . . . 74.030000000000001 111.123 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.88 -25.63 26.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.151 -0.547 . . . . 70.239999999999995 112.639 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -76.97 125.42 29.28 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.988 -0.375 . . . . 72.430000000000007 109.988 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -107.7 149.22 28.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.86 0.362 . . . . 75.329999999999998 110.74 -177.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.593 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -145.6 169.41 18.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.893 -0.594 . . . . 73.310000000000002 109.858 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.639 ' CZ2' ' HB3' ' A' ' 38' ' ' ASP . 52.2 p-90 -122.07 129.57 52.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.242 0.544 . . . . 72.430000000000007 110.25 176.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.86 ' HB1' HG22 ' A' ' 127' ' ' VAL . . . -152.06 136.82 17.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.275 -0.875 . . . . 72.209999999999994 109.095 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -155.4 154.17 31.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.933 0.397 . . . . 75.439999999999998 111.231 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.95 122.63 23.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.51 -0.768 . . . . 70.019999999999996 109.876 174.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.655 ' HB2' ' HB2' ' A' ' 34' ' ' TYR . 36.0 m-85 -84.25 104.23 14.12 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.007 0.432 . . . . 72.519999999999996 110.117 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 3.8 p -118.0 127.93 75.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.553 -0.748 . . . . 74.030000000000001 111.153 -176.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -129.05 131.58 47.35 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.051 -0.722 . . . . 73.129999999999995 109.051 175.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 t70 66.24 13.07 8.99 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.565 0.698 . . . . 74.219999999999999 110.705 174.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.45 1.35 59.15 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.686 -0.688 . . . . 63.200000000000003 112.581 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 27' ' ' VAL . 12.3 mptt -109.48 143.08 39.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.095 0.474 . . . . 74.519999999999996 110.586 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.7 t -108.75 124.39 65.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.798 -0.637 . . . . 62.210000000000001 110.681 -176.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -111.8 -27.35 8.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.348 -0.387 . . . . 74.239999999999995 111.411 -177.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.655 ' HB2' ' HB2' ' A' ' 26' ' ' PHE . 94.0 m-85 -129.35 140.46 51.37 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.268 -0.27 . . . . 75.129999999999995 110.933 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -157.84 124.17 4.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.737 -0.665 . . . . 64.209999999999994 110.034 -178.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -162.68 147.87 12.13 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 110.286 -0.265 . . . . 63.310000000000002 110.286 176.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -143.07 136.28 28.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.423 -0.353 . . . . 75.019999999999996 110.534 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.639 ' HB3' ' CZ2' ' A' ' 22' ' ' TRP . 32.4 t70 -159.67 168.87 24.97 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.464 -0.569 . . . . 71.349999999999994 109.464 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 t -107.38 134.26 49.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.04 0.448 . . . . 74.219999999999999 111.375 -176.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.97 108.61 0.01 OUTLIER Glycine 0 CA--C 1.523 0.534 0 CA-C-N 115.294 -0.867 . . . . 73.120000000000005 114.034 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -108.53 80.43 1.34 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.662 0.744 . . . . 65.200000000000003 110.234 173.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -80.82 153.11 72.69 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.345 -0.843 . . . . 73.299999999999997 110.118 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.482 ' HG3' ' HG3' ' A' ' 92' ' ' LYS . 88.6 Cg_exo -46.54 -51.9 8.23 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.368 2.712 . . . . 64.230000000000004 113.654 -175.013 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.91 -53.72 29.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.704 -0.226 . . . . 73.239999999999995 111.143 -177.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.58 -50.17 72.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 55.009999999999998 112.207 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.32 -36.06 81.0 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.796 0.331 . . . . 72.420000000000002 111.552 -176.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -76.91 -41.37 43.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.929 0.395 . . . . 64.409999999999997 110.542 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 49.4 tpp -62.27 -44.1 97.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.031 -0.532 . . . . 74.150000000000006 110.55 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -75.96 -4.11 39.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.799 -0.637 . . . . 75.439999999999998 111.508 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.0 t30 70.06 0.66 3.19 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.21 -0.45 . . . . 71.439999999999998 112.04 173.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.2 t -56.01 -44.56 78.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.443 -0.344 . . . . 53.240000000000002 111.377 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.554 ' HA ' HD11 ' A' ' 55' ' ' ILE . . . -62.66 -16.74 58.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.935 -0.575 . . . . 73.140000000000001 112.115 -177.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.18 96.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.039 -0.6 . . . . 54.039999999999999 112.744 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.29 -48.61 77.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.972 0.415 . . . . 73.409999999999997 110.742 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.662 ' H ' HD13 ' A' ' 55' ' ' ILE . 0.0 OUTLIER -69.47 -28.74 39.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 73.409999999999997 111.251 177.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.11 -41.5 97.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.993 0.425 . . . . 42.140000000000001 110.339 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.49 -35.52 77.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.26 0.552 . . . . 74.109999999999999 110.341 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.48 -22.2 66.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.523 -0.762 . . . . 54.299999999999997 111.383 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.3 tp -59.86 -35.45 74.82 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.102 0.477 . . . . 60.329999999999998 110.646 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -68.52 -31.32 70.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.067 -0.515 . . . . 72.200000000000003 110.724 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.85 -34.94 74.3 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.843 -0.428 . . . . 74.299999999999997 109.843 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.1 -39.67 86.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.919 -0.582 . . . . 51.409999999999997 110.162 174.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -61.42 -42.58 98.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 73.439999999999998 110.624 175.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.436 ' HE2' ' HB3' ' A' ' 64' ' ' LYS . 51.6 mtpt -63.82 -37.79 88.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.31 -0.404 . . . . 72.319999999999993 110.754 175.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.498 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -65.05 -30.49 71.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.983 -0.553 . . . . 52.119999999999997 110.755 177.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.3 t -66.51 -41.88 88.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.219 -0.446 . . . . 62.009999999999998 109.81 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -71.68 -28.32 63.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.792 -0.64 . . . . 70.109999999999999 110.53 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.6 tp -81.67 -25.72 35.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.691 -0.686 . . . . 51.119999999999997 110.644 -178.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.66 34.86 12.57 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.845 -0.693 . . . . 63.039999999999999 112.441 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.498 HG23 ' HB1' ' A' ' 65' ' ' ALA . 22.3 m -122.75 -177.35 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 110.093 -0.336 . . . . 73.439999999999998 110.093 176.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -152.8 172.99 15.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.678 0.275 . . . . 72.340000000000003 110.795 -176.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.621 HG22 ' HB2' ' A' ' 7' ' ' TYR . 38.1 pt -124.59 151.27 29.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.169 -0.468 . . . . 61.420000000000002 110.215 177.365 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.568 HH22 ' HG3' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -106.09 118.67 37.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.605 -0.271 . . . . 73.439999999999998 110.925 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 68.4 mt -113.91 118.61 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.628 -0.508 . . . . 64.540000000000006 109.628 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.9 mt -111.69 13.95 21.17 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.928 0.344 . . . . 72.25 111.928 -173.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.558 ' HB2' HG23 ' A' ' 11' ' ' THR . 63.0 t-80 -84.99 126.52 33.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.286 -0.635 . . . . 73.030000000000001 109.286 178.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -64.1 123.48 19.17 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.207 0.527 . . . . 71.230000000000004 110.936 -178.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -158.41 19.47 0.23 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.892 -1.151 . . . . 72.5 107.892 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.19 -35.84 80.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 114.677 -1.147 . . . . 73.25 112.197 -171.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.472 ' O ' ' HD1' ' A' ' 83' ' ' PHE . . . -62.13 -42.89 99.74 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.869 -0.682 . . . . 35.340000000000003 112.805 -177.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.9 mm -76.37 -20.34 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.285 0.564 . . . . 72.310000000000002 111.242 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.27 -10.88 60.49 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.328 0.862 . . . . 72.200000000000003 113.328 -170.182 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.472 ' HD1' ' O ' ' A' ' 80' ' ' GLY . 12.8 p90 -69.28 -17.66 63.76 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.47 -0.492 . . . . 65.530000000000001 110.722 -177.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.619 ' HB3' ' HB2' ' A' ' 90' ' ' LYS . 80.4 m95 -67.31 -18.43 65.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.028 -0.533 . . . . 65.319999999999993 111.262 178.037 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.663 ' HB1' ' HB3' ' A' ' 103' ' ' MET . . . -90.28 -0.66 57.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 70.129999999999995 111.796 -176.316 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.494 ' HB ' ' HB2' ' A' ' 104' ' ' ASN . 12.5 t -141.42 0.49 1.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.656 0.265 . . . . 72.510000000000005 111.67 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.1 -103.5 0.93 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.445 -0.883 . . . . 62.340000000000003 111.876 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -97.95 -60.05 1.64 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.728 -0.471 . . . . 74.099999999999994 109.728 175.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.404 ' O ' ' HE3' ' A' ' 84' ' ' TRP . 19.4 p90 -175.12 153.65 1.65 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.031 -0.986 . . . . 72.120000000000005 108.91 177.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.619 ' HB2' ' HB3' ' A' ' 84' ' ' TRP . 34.8 ttmt -103.34 111.86 24.47 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.793 -0.363 . . . . 73.510000000000005 110.24 175.445 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -107.02 87.85 2.6 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.218 0.533 . . . . 72.439999999999998 109.787 173.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.482 ' HG3' ' HG3' ' A' ' 43' ' ' PRO . 53.5 tptt -86.88 -24.76 24.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.739 0.78 . . . . 74.430000000000007 109.214 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -147.73 -73.21 0.2 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.018 -0.992 . . . . 63.299999999999997 109.98 178.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -165.67 -57.82 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.016 0.436 . . . . 73.409999999999997 110.117 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -60.69 -29.79 69.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.532 -0.758 . . . . 74.150000000000006 111.105 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.507 ' HB ' ' O ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -56.74 -30.41 63.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.293 -0.867 . . . . 70.450000000000003 111.88 -176.912 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -42.0 70.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.01 -0.541 . . . . 75.25 111.545 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.26 -37.38 61.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.947 -0.57 . . . . 72.25 111.378 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -80.29 -49.18 11.91 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.277 0.473 . . . . 73.040000000000006 112.277 -175.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.849 ' HA ' ' HB2' ' A' ' 103' ' ' MET . . . -77.74 -17.68 57.32 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.77 0.656 . . . . 44.119999999999997 112.77 -168.513 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -60.7 -33.09 72.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.016 0.436 . . . . 70.439999999999998 110.931 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 92.1 mt -122.2 23.73 9.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.299 -0.409 . . . . 74.340000000000003 110.259 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.849 ' HB2' ' HA ' ' A' ' 100' ' ' ALA . 25.4 ttt -66.02 -38.29 88.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.473 . . . . 73.329999999999998 111.39 -174.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.582 ' O ' ' HG3' ' A' ' 107' ' ' ARG . 59.1 t30 -63.22 -34.26 77.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.982 0.42 . . . . 73.329999999999998 110.715 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.24 -32.77 69.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.208 -0.451 . . . . 75.129999999999995 110.365 178.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -78.69 -34.47 46.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.993 -0.548 . . . . 64.329999999999998 111.207 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' A' ' 104' ' ' ASN . 2.9 ppt_? -67.72 159.36 30.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.061 0.458 . . . . 62.340000000000003 110.827 -178.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.87 -45.07 0.66 Allowed Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.472 -1.051 . . . . 74.109999999999999 110.472 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.695 ' H ' HD12 ' A' ' 109' ' ' ILE . 4.1 mp -75.01 -39.9 44.66 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 N-CA-C 108.418 -0.956 . . . . 73.209999999999994 108.418 172.2 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -110.35 144.82 38.51 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.392 -0.966 . . . . 75.239999999999995 108.392 170.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.9 t -170.15 160.41 7.98 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.369 -0.604 . . . . 72.450000000000003 109.369 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -111.53 142.83 43.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.979 -0.555 . . . . 72.129999999999995 109.97 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -136.35 116.56 13.5 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.596 -0.52 . . . . 73.049999999999997 109.596 174.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -85.83 86.15 7.37 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.471 0.653 . . . . 74.519999999999996 110.235 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.2 p -114.24 135.11 55.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.066 -0.97 . . . . 74.230000000000004 109.541 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -127.66 92.28 3.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.431 0.634 . . . . 74.310000000000002 110.488 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -121.35 179.49 4.41 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.025 -0.989 . . . . 75.230000000000004 108.692 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -86.85 27.33 1.01 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.46 0.648 . . . . 65.209999999999994 110.26 -178.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.0 t -91.14 29.32 1.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.462 -0.79 . . . . 72.109999999999999 110.416 -177.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -67.65 109.72 3.06 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 116.104 -0.498 . . . . 54.140000000000001 112.114 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -78.45 -179.15 6.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.29 0.567 . . . . 63.0 111.086 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.545 ' H ' ' CD ' ' A' ' 122' ' ' GLU . 0.5 OUTLIER -80.55 -30.84 37.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.449 -0.796 . . . . 73.219999999999999 111.188 -175.653 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -65.41 -46.4 80.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.157 -0.474 . . . . 61.439999999999998 111.344 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.731 ' HB2' ' HB2' ' A' ' 12' ' ' ASP . 5.3 p-10 -76.31 -32.68 58.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.528 -0.306 . . . . 65.219999999999999 110.985 -176.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.16 -43.6 97.82 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.204 0.526 . . . . 73.209999999999994 110.701 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -62.07 -46.59 88.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.62 -0.718 . . . . 72.329999999999998 111.161 -178.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.86 HG22 ' HB1' ' A' ' 23' ' ' ALA . 5.5 p -77.16 -23.9 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.366 -0.379 . . . . 54.420000000000002 110.907 -177.339 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.583 ' HB2' ' HB3' ' A' ' 12' ' ' ASP . 11.5 t70 -65.3 -37.26 86.59 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.989 0.423 . . . . 73.409999999999997 110.278 176.282 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 67.1 mtm -63.23 -45.4 91.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 73.150000000000006 109.842 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -55.68 -49.94 71.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.409 -0.814 . . . . 73.230000000000004 111.325 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.583 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -66.87 -51.54 54.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.286 -0.415 . . . . 74.140000000000001 111.938 -176.066 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -66.97 -30.62 70.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.832 0.308 . . . . 72.540000000000006 111.832 -174.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.698 ' HA ' HG22 ' A' ' 137' ' ' ILE . 9.5 t -64.2 -30.94 71.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.059 0.457 . . . . 71.120000000000005 110.068 179.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -75.16 -7.21 53.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.975 -0.557 . . . . 74.430000000000007 111.35 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.593 HD21 ' HB2' ' A' ' 21' ' ' ALA . 3.3 mm? -96.45 -0.62 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.592 0.234 . . . . 62.030000000000001 110.745 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.24 25.0 35.01 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.13 -1.033 . . . . 74.319999999999993 112.684 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.698 HG22 ' HA ' ' A' ' 133' ' ' SER . 12.0 tt -60.37 135.77 24.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 110.352 -0.24 . . . . 72.129999999999995 110.352 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 63.19 54.37 2.08 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.508 0.671 . . . . 63.020000000000003 109.469 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -66.57 154.61 40.0 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.024 -0.989 . . . . 74.25 111.604 -175.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.06 -11.69 37.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.03 -0.532 . . . . 53.350000000000001 112.343 -173.623 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -108.67 -38.41 5.66 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.891 0.377 . . . . 74.230000000000004 111.169 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -68.46 99.64 0.99 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.132 -0.485 . . . . 73.25 110.021 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -116.68 169.24 9.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 72.340000000000003 111.41 -175.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -170.4 106.62 0.31 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.12 -0.945 . . . . 75.239999999999995 109.286 171.277 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -119.13 151.0 39.07 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.516 -0.311 . . . . 75.510000000000005 110.346 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -129.22 122.93 30.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.224 -0.444 . . . . 72.420000000000002 110.761 -177.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 9.0 t60 . . . . . 0 C--O 1.24 0.581 0 CA-C-O 118.767 -0.635 . . . . 75.299999999999997 109.491 176.852 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.019 -0.363 . . . . 64.420000000000002 110.019 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -106.16 102.57 11.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.342 -0.39 . . . . 72.329999999999998 111.648 -176.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.6 ' HB3' ' HE1' ' A' ' 7' ' ' TYR . 56.8 m-20 56.89 80.28 0.16 Allowed 'General case' 0 N--CA 1.466 0.349 0 O-C-N 124.097 0.873 . . . . 73.450000000000003 112.125 173.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.1 mtt-85 -104.81 -15.87 15.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.378 -0.374 . . . . 63.049999999999997 111.988 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' A' ' 29' ' ' ASP . 41.0 p -101.69 150.52 23.04 Favored 'General case' 0 C--N 1.311 -1.089 0 C-N-CA 120.817 -0.353 . . . . 74.450000000000003 110.486 178.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -60.49 153.26 23.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.174 0.511 . . . . 43.509999999999998 111.086 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.6 ' HE1' ' HB3' ' A' ' 3' ' ' ASP . 6.0 m-85 -106.4 127.27 53.15 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.203 -0.453 . . . . 75.409999999999997 111.175 -170.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.655 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 32.3 m-20 -114.57 90.51 3.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.294 -0.632 . . . . 62.210000000000001 109.294 175.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.418 ' O ' HG22 ' A' ' 74' ' ' ILE . 45.4 t -96.95 115.23 35.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.369 -0.378 . . . . 72.219999999999999 110.094 -176.7 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.655 ' CE2' ' HB3' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -143.11 114.99 8.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.5 0.666 . . . . 50.009999999999998 112.401 -179.251 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.779 HG22 ' HA ' ' A' ' 24' ' ' TYR . 14.9 p -86.51 93.21 9.11 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.259 -0.882 . . . . 64.519999999999996 109.4 170.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.458 ' HB2' ' HB2' ' A' ' 76' ' ' HIS . 10.2 t70 -130.19 112.81 13.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.372 -0.376 . . . . 74.219999999999999 110.587 -173.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.59 143.73 10.82 Favored Glycine 0 N--CA 1.452 -0.262 0 N-CA-C 111.608 -0.597 . . . . 64.140000000000001 111.608 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m -91.24 130.09 37.16 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.957 0.408 . . . . 63.399999999999999 111.875 -174.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -72.19 153.91 41.34 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.725 -0.843 . . . . 74.109999999999999 108.725 170.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.434 ' H ' HD13 ' A' ' 135' ' ' LEU . 7.9 p -154.81 154.44 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.536 -0.466 . . . . 72.439999999999998 111.29 -176.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.4 m120 63.3 27.46 15.43 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.374 0.67 . . . . 70.439999999999998 110.58 -178.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.06 6.89 61.43 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.981 -0.628 . . . . 72.140000000000001 112.88 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.421 ' HB2' HD22 ' A' ' 135' ' ' LEU . 39.3 mt-30 -107.37 151.0 26.09 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.527 -0.396 . . . . 61.130000000000003 110.073 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -107.16 138.0 44.16 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.914 0.388 . . . . 61.329999999999998 110.776 -176.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.587 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -138.31 131.46 30.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.808 -0.633 . . . . 74.0 109.405 174.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 7.3 p-90 -90.08 128.76 36.38 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.949 -0.759 . . . . 64.510000000000005 108.949 177.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.868 ' HB1' HG22 ' A' ' 127' ' ' VAL . . . -118.8 136.18 54.14 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.586 -0.734 . . . . 73.010000000000005 109.837 -176.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.779 ' HA ' HG22 ' A' ' 11' ' ' THR . 31.5 p90 -138.66 138.07 37.45 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.605 0.717 . . . . 64.040000000000006 112.044 -177.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.51 ' HA ' ' O ' ' A' ' 34' ' ' TYR . . . -150.94 101.89 2.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.538 -1.21 . . . . 70.25 108.794 174.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -87.95 97.64 11.06 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.703 -0.48 . . . . 71.010000000000005 109.703 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 2.5 p -109.3 110.87 33.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.607 -0.724 . . . . 64.439999999999998 110.858 -178.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.551 ' HB2' ' CD1' ' A' ' 7' ' ' TYR . 16.4 ptmt -123.41 135.91 54.36 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.842 -0.799 . . . . 71.430000000000007 108.842 175.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.445 ' HA ' ' OG1' ' A' ' 5' ' ' THR . 36.8 t70 64.56 19.93 11.98 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.887 0.851 . . . . 73.209999999999994 109.992 -178.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.17 3.03 90.45 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.686 -0.688 . . . . 74.420000000000002 112.282 -177.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 27' ' ' VAL . 25.0 mmtp -105.05 125.35 50.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.881 0.372 . . . . 73.540000000000006 110.277 -177.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.447 HG22 ' HB ' ' A' ' 27' ' ' VAL . 26.1 t -90.38 107.82 18.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.878 -0.601 . . . . 62.409999999999997 109.957 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -76.11 -30.28 58.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.171 -0.468 . . . . 74.0 110.524 -176.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.51 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 2.8 m-85 -150.0 140.8 22.73 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.047 -0.524 . . . . 73.409999999999997 109.983 177.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' HB3' HG11 ' A' ' 32' ' ' VAL . 9.1 pt-20 -147.52 118.79 7.81 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 123.579 0.549 . . . . 73.010000000000005 110.562 178.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 24' ' ' TYR . 4.5 t70 -176.39 173.31 2.12 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.959 -0.564 . . . . 73.400000000000006 109.54 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.586 ' HB3' ' HD2' ' A' ' 130' ' ' LYS . . . -156.29 133.65 10.75 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.64 -0.504 . . . . 34.340000000000003 109.64 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -133.85 162.94 30.65 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.494 -0.558 . . . . 71.319999999999993 109.494 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.426 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 34.6 m -83.76 178.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.624 0.249 . . . . 62.219999999999999 111.258 -177.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.46 138.38 49.16 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.222 -0.514 . . . . 62.219999999999999 112.162 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HD3' ' NH1' ' A' ' 49' ' ' ARG . 17.8 mtpp -118.82 -178.75 3.62 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.038 0.447 . . . . 74.219999999999999 110.301 -175.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -110.69 151.14 42.65 Favored Pre-proline 0 C--N 1.318 -0.8 0 CA-C-N 115.666 -0.697 . . . . 72.209999999999994 110.529 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_exo -62.09 -28.29 79.88 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.055 2.503 . . . . 74.540000000000006 112.694 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.66 -36.32 76.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 43.039999999999999 111.585 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 49' ' ' ARG . . . -98.66 -1.26 41.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.428 -0.351 . . . . 72.409999999999997 110.976 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.5 ' HA ' ' HD3' ' A' ' 49' ' ' ARG . . . -83.16 -33.4 26.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.519 -0.31 . . . . 64.230000000000004 111.385 -177.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.8 m -61.08 -38.5 86.49 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.969 -0.559 . . . . 72.200000000000003 111.601 -178.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 72.0 mtm -139.61 92.71 2.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.006 0.431 . . . . 74.319999999999993 110.042 -177.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.5 ' HD3' ' HA ' ' A' ' 46' ' ' ALA . 36.9 ptt180 -142.95 161.14 38.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.601 -0.727 . . . . 71.129999999999995 110.794 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -68.24 -14.91 63.34 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.202 -0.454 . . . . 71.019999999999996 111.175 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.453 ' O ' HG12 ' A' ' 55' ' ' ILE . 97.4 t -52.78 -29.66 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 120.99 0.424 . . . . 62.509999999999998 110.546 174.405 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.57 -31.37 66.09 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.076 -0.511 . . . . 33.43 111.158 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.67 -36.2 49.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.025 -0.607 . . . . 73.109999999999999 112.062 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.33 -43.49 77.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.863 0.363 . . . . 74.340000000000003 110.874 -178.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 51' ' ' VAL . 17.4 pt -70.18 -29.85 41.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.407 -0.361 . . . . 65.540000000000006 110.965 177.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 59' ' ' LEU . . . -62.77 -26.79 68.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.089 0.471 . . . . 34.119999999999997 110.748 175.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -72.85 -25.14 61.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 63.039999999999999 110.646 177.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.31 -37.23 53.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.982 -0.554 . . . . 64.120000000000005 109.527 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.425 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 35.2 tp -53.7 -49.47 68.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.345 -0.843 . . . . 65.530000000000001 110.376 174.154 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -62.45 -38.09 88.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.943 -0.571 . . . . 73.430000000000007 110.83 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.75 -41.35 99.16 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.32 -0.4 . . . . 73.310000000000002 110.957 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.2 t -71.97 -44.34 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.979 -0.555 . . . . 72.400000000000006 110.435 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -60.01 -38.82 83.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.985 -0.552 . . . . 60.149999999999999 111.061 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.475 ' O ' HD13 ' A' ' 68' ' ' LEU . 86.0 tttt -67.33 -31.09 71.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.932 0.396 . . . . 74.299999999999997 110.382 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.76 -34.77 64.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.94 0.4 . . . . 73.219999999999999 110.456 175.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.432 ' HB2' HD13 ' A' ' 109' ' ' ILE . 47.1 t -56.66 -52.09 66.24 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.461 -0.79 . . . . 65.109999999999999 111.258 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -66.0 -35.12 79.71 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.254 -0.43 . . . . 65.400000000000006 111.506 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 64' ' ' LYS . 9.9 mp -69.4 -25.41 64.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.047 0.451 . . . . 73.019999999999996 110.592 175.432 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.56 10.74 58.89 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 121.024 -0.608 . . . . 62.229999999999997 112.616 177.005 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.5 m -107.83 171.23 2.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.635 0.255 . . . . 75.129999999999995 110.91 -176.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -124.65 173.7 8.35 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.114 -0.493 . . . . 73.329999999999998 109.763 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 pp -109.75 159.08 9.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 110.102 -0.333 . . . . 74.439999999999998 110.102 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -126.76 141.39 51.84 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.168 -0.308 . . . . 63.439999999999998 110.168 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.813 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -115.29 139.1 43.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 116.229 -0.441 . . . . 75.400000000000006 111.447 -175.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.743 ' HB3' ' HA ' ' A' ' 117' ' ' ALA . 98.1 mt -138.73 89.28 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.802 -0.635 . . . . 75.030000000000001 109.828 176.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.483 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -167.61 173.3 8.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 74.239999999999995 110.229 -175.131 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -88.69 -162.39 0.85 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.262 -1.014 . . . . 75.340000000000003 108.262 173.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 59.38 82.89 0.14 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.41 0.624 . . . . 53.439999999999998 111.819 178.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.63 ' HB2' ' HB2' ' A' ' 114' ' ' LYS . . . -94.21 -29.75 14.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.937 -0.574 . . . . 52.310000000000002 110.41 178.037 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.6 -22.79 68.26 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.622 -0.717 . . . . 44.109999999999999 113.205 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.3 tt -66.39 -20.08 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.219 0.533 . . . . 75.040000000000006 111.014 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.81 11.17 3.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 64.030000000000001 112.145 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -65.74 -21.65 66.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.551 0.215 . . . . 74.140000000000001 111.047 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.554 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 98.1 m95 -63.15 -31.99 73.27 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.381 -0.372 . . . . 74.420000000000002 111.207 178.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -91.21 0.08 57.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.422 -0.353 . . . . 73.310000000000002 111.942 -174.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.586 HG23 ' H ' ' A' ' 88' ' ' GLU . 2.9 t -130.66 -31.42 1.78 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.152 0.427 . . . . 61.299999999999997 112.152 -176.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.76 25.08 74.86 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.256 -0.974 . . . . 74.140000000000001 111.248 -175.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.586 ' H ' HG23 ' A' ' 86' ' ' THR . 35.3 tt0 -64.14 -35.17 79.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.128 0.49 . . . . 74.239999999999995 110.689 -177.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -90.96 165.65 13.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.713 -0.676 . . . . 72.25 109.847 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.92 144.96 47.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.332 -0.395 . . . . 73.340000000000003 110.155 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.628 ' CB ' ' HB ' ' A' ' 96' ' ' THR . . . -98.66 162.63 13.02 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.102 -0.499 . . . . 71.200000000000003 111.703 -175.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -85.84 104.6 15.66 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.185 -0.672 . . . . 74.439999999999998 109.185 176.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.7 m120 68.14 -72.08 0.1 Allowed 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.782 0.676 . . . . 70.409999999999997 111.075 -177.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -168.01 -18.31 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.07 -0.513 . . . . 65.430000000000007 111.054 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -52.95 -51.95 59.7 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.109 -0.496 . . . . 70.120000000000005 111.736 -175.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.628 ' HB ' ' CB ' ' A' ' 91' ' ' ALA . 2.5 m -64.41 -38.69 91.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.424 -0.353 . . . . 53.520000000000003 111.414 -177.008 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.57 ' HG2' ' CB ' ' A' ' 91' ' ' ALA . 15.1 mm-40 -63.99 -47.07 81.81 Favored 'General case' 0 CA--C 1.523 -0.084 0 CA-C-O 120.706 0.289 . . . . 54.409999999999997 111.076 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.45 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -59.08 -44.5 91.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.924 -0.58 . . . . 71.450000000000003 110.998 -178.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -74.72 -34.52 62.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.421 -0.354 . . . . 74.430000000000007 110.736 -177.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.554 ' HA ' ' O ' ' A' ' 84' ' ' TRP . . . -60.94 -41.75 96.86 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.212 -0.449 . . . . 73.209999999999994 111.195 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 97' ' ' GLN . 52.0 mtpt -68.73 -29.35 67.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.291 -0.413 . . . . 72.540000000000006 110.645 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 98' ' ' ALA . 95.0 mt -68.48 -41.87 79.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.412 -0.358 . . . . 74.219999999999999 110.309 177.362 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.686 ' HA ' ' CE1' ' A' ' 106' ' ' TYR . 36.8 mtt -72.67 -37.16 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.15 0.5 . . . . 75.329999999999998 110.691 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -63.32 -32.87 74.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.795 -0.639 . . . . 73.409999999999997 110.984 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 13.9 tm0? -53.66 -47.37 70.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.632 -0.713 . . . . 72.409999999999997 111.848 -178.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.686 ' CE1' ' HA ' ' A' ' 103' ' ' MET . 17.2 p90 -103.24 17.16 24.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.024 0.44 . . . . 62.509999999999998 111.264 -177.591 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -71.34 150.76 44.79 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.414 -0.587 . . . . 71.230000000000004 109.414 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 122.96 -44.53 1.3 Allowed Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 110.838 -0.905 . . . . 52.0 110.838 -176.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.432 HD13 ' HB2' ' A' ' 66' ' ' SER . 40.9 mt -71.26 -39.02 72.28 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 N-CA-C 108.562 -0.903 . . . . 71.540000000000006 108.562 171.079 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -116.03 148.08 40.56 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 114.808 -1.087 . . . . 75.319999999999993 108.6 171.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.1 p -159.43 167.12 29.52 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 108.812 -0.81 . . . . 62.43 108.812 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.462 ' HA ' HG13 ' A' ' 74' ' ' ILE . 95.8 m-85 -129.96 136.32 49.32 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.147 0.498 . . . . 72.230000000000004 111.063 177.162 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.521 ' H ' HG13 ' A' ' 74' ' ' ILE . 43.1 mm-40 -130.78 153.4 49.09 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.027 -0.988 . . . . 73.409999999999997 108.689 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.63 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 82.2 tttt -97.75 77.39 2.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.378 0.609 . . . . 71.519999999999996 109.366 177.023 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.78 133.95 48.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.19 -0.913 . . . . 75.150000000000006 109.557 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -72.62 148.3 44.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.991 0.424 . . . . 71.140000000000001 111.303 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.743 ' HA ' ' HB3' ' A' ' 75' ' ' LEU . . . -70.04 -178.29 1.57 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.74 -0.664 . . . . 70.340000000000003 111.596 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -47.77 -64.83 0.68 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.7 -0.682 . . . . 71.349999999999994 110.178 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -149.62 14.2 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.503 -0.554 . . . . 74.319999999999993 109.503 172.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.05 115.72 1.9 Allowed Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.545 -0.752 . . . . 73.420000000000002 111.488 -174.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -81.64 163.94 22.19 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.284 -0.635 . . . . 62.119999999999997 109.284 -178.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -63.17 -28.08 69.81 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.047 0.451 . . . . 71.129999999999995 110.749 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -62.6 -35.73 80.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.905 -0.589 . . . . 72.200000000000003 110.18 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.65 -51.21 63.76 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.245 -0.434 . . . . 74.439999999999998 109.956 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.63 -33.47 72.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.794 -0.639 . . . . 71.120000000000005 111.092 -175.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -65.6 -56.46 12.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.39 -0.368 . . . . 73.109999999999999 111.017 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.868 HG22 ' HB1' ' A' ' 23' ' ' ALA . 9.6 p -69.21 -30.64 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 120.894 0.378 . . . . 71.329999999999998 110.583 -175.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 132' ' ' LYS . 11.2 t70 -62.71 -48.56 78.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 32.219999999999999 110.474 175.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 58.8 ttp -62.46 -38.78 91.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.034 -0.53 . . . . 53.049999999999997 110.428 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.586 ' HD2' ' HB3' ' A' ' 37' ' ' ALA . 10.1 tmtt? -60.78 -44.97 96.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.053 -0.521 . . . . 70.239999999999995 109.988 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.03 -51.35 68.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.026 -0.533 . . . . 71.140000000000001 111.649 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.53 ' HD3' HD12 ' A' ' 137' ' ' ILE . 11.1 ptpt -67.16 -24.53 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.549 -0.296 . . . . 73.310000000000002 111.619 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.59 ' HA ' HG22 ' A' ' 137' ' ' ILE . 64.9 m -63.17 -39.41 94.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.092 0.472 . . . . 72.150000000000006 110.245 176.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.46 -9.66 59.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 64.319999999999993 110.913 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.587 HD21 ' HB2' ' A' ' 21' ' ' ALA . 94.8 mt -99.29 5.82 46.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.075 -0.511 . . . . 70.25 110.975 -177.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.08 25.83 33.0 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 119.963 -1.113 . . . . 64.230000000000004 113.518 174.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.59 HG22 ' HA ' ' A' ' 133' ' ' SER . 13.8 tt -57.0 141.13 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 117.142 0.471 . . . . 71.219999999999999 110.577 177.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -90.2 111.57 22.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.282 -0.417 . . . . 72.129999999999995 109.881 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -125.89 157.82 36.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.903 0.382 . . . . 73.510000000000005 110.05 178.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 24.2 tp -92.37 -14.21 29.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.005 -0.543 . . . . 74.239999999999995 111.17 -177.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -76.68 -37.76 55.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 71.239999999999995 110.688 -175.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -85.57 88.47 7.53 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.889 -0.782 . . . . 74.420000000000002 108.889 173.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -102.31 88.3 3.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.07 -0.514 . . . . 71.420000000000002 110.783 -170.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -166.29 41.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.544 -0.753 . . . . 64.450000000000003 109.557 176.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -77.94 117.31 19.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.556 -0.747 . . . . 75.230000000000004 109.369 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -79.15 126.37 30.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.422 -0.354 . . . . 75.019999999999996 110.785 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 . . . . . 0 C--O 1.244 0.777 0 CA-C-O 118.624 -0.703 . . . . 61.350000000000001 109.725 -178.863 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 109.622 -0.511 . . . . 53.420000000000002 109.622 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.98 145.15 37.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.905 -0.776 . . . . 73.25 108.905 171.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -73.96 82.21 1.7 Allowed 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.427 0.632 . . . . 70.519999999999996 110.519 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -83.81 74.74 10.16 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.429 -0.805 . . . . 64.319999999999993 111.381 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.545 HG23 ' HD2' ' A' ' 7' ' ' TYR . 13.0 t -169.64 141.13 2.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.752 -0.658 . . . . 71.439999999999998 109.719 176.594 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -91.49 102.14 14.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.582 0.706 . . . . 74.519999999999996 110.048 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.545 ' HD2' HG23 ' A' ' 5' ' ' THR . 46.9 p90 -117.52 169.57 9.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.704 -0.68 . . . . 74.109999999999999 111.039 -175.522 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.445 ' O ' HG13 ' A' ' 27' ' ' VAL . 8.7 m-20 -100.66 132.54 46.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.704 -0.68 . . . . 70.340000000000003 109.696 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.3 t -96.74 111.22 26.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.275 -0.639 . . . . 71.329999999999998 109.275 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -86.34 145.27 26.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.901 0.381 . . . . 65.319999999999993 111.943 -172.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.673 ' HA ' HG11 ' A' ' 127' ' ' VAL . 8.8 t -175.06 175.13 2.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.639 -0.71 . . . . 74.540000000000006 110.274 176.146 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -142.11 87.08 2.01 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.412 -0.588 . . . . 70.140000000000001 109.412 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.33 61.51 4.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.931 -0.652 . . . . 62.299999999999997 112.423 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.3 m -112.6 117.06 31.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.956 0.408 . . . . 64.319999999999993 110.768 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -77.26 163.24 26.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.868 -0.605 . . . . 74.150000000000006 109.932 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -168.77 146.79 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.708 0.289 . . . . 73.409999999999997 110.906 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 64.03 27.97 14.27 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.839 0.828 . . . . 71.129999999999995 110.783 173.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.58 6.97 85.35 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.42 -0.809 . . . . 45.420000000000002 112.801 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -117.85 151.31 37.62 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.019 -0.363 . . . . 74.420000000000002 110.019 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -137.82 145.84 42.77 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.206 -0.452 . . . . 60.229999999999997 110.815 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.93 154.5 38.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.737 -0.665 . . . . 71.310000000000002 109.651 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 -113.06 130.6 56.11 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.293 0.568 . . . . 75.0 109.91 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -130.82 153.61 48.91 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.636 -0.711 . . . . 42.43 109.645 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -147.41 137.92 23.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.911 0.386 . . . . 71.049999999999997 110.729 176.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.27 107.83 13.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.48 -0.782 . . . . 60.329999999999998 109.374 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.585 ' HZ ' HD13 ' A' ' 55' ' ' ILE . 87.1 m-85 -83.75 96.99 8.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.405 0.621 . . . . 74.120000000000005 109.69 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.668 ' HB ' HG22 ' A' ' 32' ' ' VAL . 1.7 p -109.0 111.23 35.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.019 -0.992 . . . . 74.030000000000001 110.79 -178.078 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -118.62 148.98 42.14 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.24 -1.022 . . . . 71.530000000000001 108.24 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.689 ' HB3' ' HE2' ' A' ' 31' ' ' LYS . 32.0 t70 67.84 7.23 5.6 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.649 0.738 . . . . 64.140000000000001 111.156 173.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.4 7.99 56.6 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.716 -0.754 . . . . 73.450000000000003 113.028 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.689 ' HE2' ' HB3' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -142.21 150.0 40.41 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 117.101 0.451 . . . . 74.409999999999997 111.586 176.35 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.668 HG22 ' HB ' ' A' ' 27' ' ' VAL . 40.0 t -82.4 120.98 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.0 -0.545 . . . . 63.210000000000001 110.557 -174.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -85.65 -31.46 22.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.884 -0.598 . . . . 73.430000000000007 110.351 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -161.17 140.09 10.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.993 -0.549 . . . . 74.409999999999997 109.838 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.22 138.35 22.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.295 -0.412 . . . . 72.409999999999997 110.273 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.454 ' HB3' HG22 ' A' ' 51' ' ' VAL . 5.0 t70 -167.42 171.76 10.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.464 -0.334 . . . . 74.540000000000006 110.273 177.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.59 139.52 36.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.221 -0.445 . . . . 64.230000000000004 110.514 -176.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -136.85 173.38 11.76 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.376 -0.601 . . . . 74.109999999999999 109.376 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.3 m -106.75 163.35 5.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 O-C-N 122.277 -0.265 . . . . 61.329999999999998 111.161 -175.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.28 122.6 29.69 Favored Glycine 0 C--N 1.334 0.429 0 N-CA-C 110.587 -1.005 . . . . 74.450000000000003 110.587 173.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -139.24 -168.44 2.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.763 0.792 . . . . 73.329999999999998 112.393 -165.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.624 HD21 ' HD2' ' A' ' 90' ' ' LYS . 1.6 t30 -113.59 153.6 45.78 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 114.818 -1.083 . . . . 71.129999999999995 110.294 -178.128 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.07 -19.0 64.82 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.868 2.379 . . . . 72.450000000000003 112.435 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.42 -13.86 62.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.945 0.402 . . . . 60.109999999999999 111.081 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.5 5.61 34.52 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.215 -0.448 . . . . 51.32 111.003 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.539 ' O ' ' HG3' ' A' ' 49' ' ' ARG . . . -65.09 -16.54 63.59 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.126 -0.488 . . . . 71.439999999999998 110.91 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.6 p -62.86 -39.41 94.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.225 0.536 . . . . 64.430000000000007 110.881 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.433 ' O ' ' HB2' ' A' ' 49' ' ' ARG . 69.7 mtm -92.15 -45.36 8.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.852 -0.613 . . . . 64.120000000000005 110.963 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 96.3 mtt180 71.16 -63.81 0.41 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.649 0.611 . . . . 73.150000000000006 112.649 178.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.4 t30 60.62 -88.51 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.598 0.759 . . . . 73.25 110.841 -172.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.454 HG22 ' HB3' ' A' ' 36' ' ' ASP . 21.3 t -76.92 -31.08 18.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.12 0.486 . . . . 42.030000000000001 110.882 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.499 ' HA ' ' HB ' ' A' ' 55' ' ' ILE . . . -62.0 -17.34 56.84 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.598 -0.728 . . . . 60.549999999999997 112.815 -171.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.73 -53.2 32.61 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.505 -0.855 . . . . 62.020000000000003 111.754 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -71.3 -29.1 64.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.719 0.295 . . . . 43.5 110.497 177.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.585 HD13 ' HZ ' ' A' ' 26' ' ' PHE . 34.7 mm -60.68 -41.22 87.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 116.199 -0.455 . . . . 65.230000000000004 110.541 176.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.34 91.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.036 0.446 . . . . 54.350000000000001 110.713 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.16 -31.59 70.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.028 -0.533 . . . . 75.140000000000001 110.689 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -68.69 -33.06 73.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.048 -0.524 . . . . 64.319999999999993 110.812 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.4 tp -63.2 -40.12 96.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.033 0.444 . . . . 75.310000000000002 110.435 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.93 ' HA ' ' HG2' ' A' ' 63' ' ' LYS . 41.0 m-85 -71.16 -26.14 62.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.076 -0.511 . . . . 74.140000000000001 110.848 176.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.14 -41.95 80.87 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.663 -0.495 . . . . 71.140000000000001 109.663 173.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 58' ' ' ALA . 93.3 t -61.86 -50.38 80.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.704 -0.68 . . . . 73.530000000000001 110.807 176.222 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.93 ' HG2' ' HA ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -65.03 -28.45 69.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 71.310000000000002 110.74 -179.184 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 60' ' ' TYR . 44.8 tptt -74.44 -46.08 42.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.441 -0.345 . . . . 51.219999999999999 110.172 178.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.78 78.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.788 -0.642 . . . . 52.439999999999998 111.225 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.7 t -60.05 -40.54 89.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.339 -0.391 . . . . 52.240000000000002 110.358 178.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -73.88 -34.3 64.39 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.953 0.406 . . . . 60.409999999999997 110.741 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.5 tp -76.45 -25.07 53.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.147 -0.479 . . . . 75.010000000000005 111.156 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.84 14.87 54.36 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.88 -0.676 . . . . 74.340000000000003 112.017 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.4 m -112.43 170.16 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.675 0.274 . . . . 73.109999999999999 110.506 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -146.86 165.58 29.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.42 -0.355 . . . . 71.319999999999993 110.292 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 110' ' ' TYR . 2.5 pp -129.01 172.58 15.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.442 -0.577 . . . . 74.310000000000002 109.442 176.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 8' ' ' ASP . 72.5 mtt180 -123.86 132.11 53.7 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.892 -0.323 . . . . 72.310000000000002 110.146 -177.744 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.5 HG23 ' HB3' ' A' ' 112' ' ' PHE . 11.9 tt -92.08 120.62 41.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.632 0.73 . . . . 74.299999999999997 109.419 175.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.4 HD11 HG11 ' A' ' 115' ' ' VAL . 2.0 tm? -89.3 99.23 12.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.3 -0.864 . . . . 64.409999999999997 110.449 -170.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 44.4 t60 69.54 85.07 0.14 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.343 -0.844 . . . . 71.329999999999998 112.673 172.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -159.59 157.95 30.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.473 -0.785 . . . . 71.230000000000004 109.546 170.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -160.6 -30.92 0.06 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.595 -0.73 . . . . 73.120000000000005 109.383 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.84 -35.54 14.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.832 -0.622 . . . . 73.329999999999998 111.344 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.8 -55.54 26.32 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.866 -0.683 . . . . 43.420000000000002 112.387 -176.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.408 ' H ' HG13 ' A' ' 81' ' ' ILE . 2.6 pp -65.56 -19.97 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.683 0.278 . . . . 70.430000000000007 111.669 177.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.29 -27.56 59.39 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.864 0.32 . . . . 72.5 111.864 -176.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -58.54 -49.38 77.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.049 0.452 . . . . 54.210000000000001 111.324 -178.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -74.39 -25.39 59.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.334 -0.394 . . . . 63.039999999999999 110.977 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.39 -39.01 62.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.236 -0.438 . . . . 64.430000000000007 111.228 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.0 t -84.26 -7.97 59.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.827 0.346 . . . . 53.009999999999998 110.276 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.38 69.41 1.4 Allowed Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.856 -0.611 . . . . 74.299999999999997 112.911 177.604 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.13 -15.65 62.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.885 0.374 . . . . 74.310000000000002 110.496 176.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -88.69 151.07 22.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.206 0.527 . . . . 73.540000000000006 110.804 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.624 ' HD2' HD21 ' A' ' 42' ' ' ASN . 3.7 ptpt -97.86 124.88 42.46 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.657 -0.498 . . . . 73.519999999999996 109.657 175.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.514 ' HB1' ' O ' ' A' ' 93' ' ' ASN . . . -73.09 128.12 34.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.304 -0.862 . . . . 64.439999999999998 112.709 -168.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -93.42 -7.68 43.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.567 0.698 . . . . 65.409999999999997 109.275 169.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.514 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 28.6 p30 -151.18 175.06 12.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.259 -0.882 . . . . 63.229999999999997 109.512 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.422 ' H ' ' CD ' ' A' ' 94' ' ' GLU . 0.2 OUTLIER -81.0 -21.31 40.34 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.851 0.357 . . . . 60.200000000000003 110.378 -178.889 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -61.42 -46.62 89.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.902 -0.59 . . . . 75.430000000000007 111.156 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.3 p -66.48 -37.63 85.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.784 0.326 . . . . 74.129999999999995 111.585 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -45.9 82.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.104 0.478 . . . . 61.310000000000002 110.513 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.9 -32.57 69.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.889 -0.596 . . . . 64.409999999999997 111.259 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -61.36 -31.89 71.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.535 -0.302 . . . . 75.230000000000004 110.872 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.37 -29.54 70.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.064 0.459 . . . . 53.020000000000003 110.361 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -84.03 -40.39 18.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.265 0.555 . . . . 71.310000000000002 109.958 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.43 -7.93 53.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.737 -0.665 . . . . 73.430000000000007 111.412 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.474 ' HA ' ' CE2' ' A' ' 106' ' ' TYR . 1.6 tmt? -58.98 -42.33 89.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.111 0.481 . . . . 75.420000000000002 110.038 176.315 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.59 ' HA ' ' HG3' ' A' ' 107' ' ' ARG . 66.1 t30 -68.56 -28.81 67.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.561 -0.745 . . . . 62.549999999999997 110.682 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.72 -47.39 85.47 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.516 -0.766 . . . . 60.140000000000001 111.558 -178.41 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.474 ' CE2' ' HA ' ' A' ' 103' ' ' MET . 13.3 p90 -90.62 14.8 12.31 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.344 -0.542 . . . . 64.409999999999997 112.383 -174.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.59 ' HG3' ' HA ' ' A' ' 104' ' ' ASN . 15.2 mtm180 -72.49 117.83 14.64 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.934 -0.765 . . . . 55.240000000000002 108.934 172.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 158.47 -30.18 0.46 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 110.758 -0.937 . . . . 72.120000000000005 110.758 -173.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.416 HD12 ' N ' ' A' ' 109' ' ' ILE . 3.6 mp -73.19 -27.02 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 108.539 -0.911 . . . . 64.430000000000007 108.539 170.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.44 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 29.1 p90 -149.3 146.14 27.4 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.363 -0.835 . . . . 74.209999999999994 109.667 174.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.5 t -142.44 162.41 35.55 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.818 -0.808 . . . . 73.140000000000001 108.818 174.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.5 ' HB3' HG23 ' A' ' 74' ' ' ILE . 41.5 p90 -113.06 138.41 49.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.949 0.404 . . . . 74.209999999999994 110.628 -178.154 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.8 150.92 51.44 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.873 -0.603 . . . . 72.030000000000001 109.554 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -81.12 113.44 19.29 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 121.562 0.696 . . . . 63.310000000000002 111.482 -174.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.4 HG11 HD11 ' A' ' 75' ' ' LEU . 13.6 p -100.08 153.76 4.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.179 -0.918 . . . . 71.120000000000005 109.682 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.656 ' HD2' ' H ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -100.18 155.4 17.77 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.451 -0.574 . . . . 72.299999999999997 109.451 175.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -132.36 110.94 10.92 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.735 0.302 . . . . 63.210000000000001 110.756 -178.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -64.66 -39.32 93.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.122 -0.49 . . . . 72.010000000000005 109.757 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 p -146.57 -31.29 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.78 -0.646 . . . . 62.25 110.794 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 106.49 127.92 5.93 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.378 -0.689 . . . . 65.400000000000006 111.378 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -75.68 161.53 29.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.856 0.36 . . . . 73.150000000000006 111.105 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -58.45 -32.22 68.52 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.947 -0.57 . . . . 74.530000000000001 110.706 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -65.84 -33.48 75.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.637 -0.71 . . . . 74.319999999999993 110.734 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -74.12 -40.53 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.798 -0.445 . . . . 52.509999999999998 109.798 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.57 -34.38 75.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 71.099999999999994 111.367 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.26 -51.33 69.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 74.450000000000003 110.604 -178.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.673 HG11 ' HA ' ' A' ' 11' ' ' THR . 9.2 p -75.75 -31.08 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 71.140000000000001 110.427 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -55.49 -52.98 61.84 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.674 -0.693 . . . . 74.099999999999994 110.331 175.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 41.1 ttp -59.61 -44.82 93.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.345 -0.843 . . . . 64.310000000000002 111.096 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -53.71 -53.04 57.72 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.397 0.518 . . . . 73.239999999999995 112.397 -174.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.2 -46.24 61.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.11 0.481 . . . . 71.150000000000006 111.771 -175.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -76.1 -27.41 57.12 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 112.507 0.558 . . . . 75.420000000000002 112.507 -171.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.1 p -73.65 -31.11 63.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.135 0.493 . . . . 62.109999999999999 109.991 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.44 -15.03 61.35 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.749 -0.659 . . . . 74.200000000000003 110.921 178.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.1 mt -95.1 -3.61 47.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 70.349999999999994 110.121 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 83.43 24.77 49.83 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.512 -0.852 . . . . 54.43 112.668 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 74.7 mt -88.39 121.7 39.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.878 0.37 . . . . 53.340000000000003 110.911 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' A' ' 138' ' ' ARG . 2.9 mpt_? -100.95 -164.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.05 -0.523 . . . . 75.409999999999997 109.681 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.488 ' OD1' ' HB3' ' A' ' 141' ' ' GLU . 4.7 p-10 -66.09 149.13 50.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.166 0.508 . . . . 74.319999999999993 111.038 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 87.0 mt -79.52 2.2 22.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.752 -0.658 . . . . 65.540000000000006 112.085 -173.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.488 ' HB3' ' OD1' ' A' ' 139' ' ' ASP . 42.6 tt0 -70.08 -28.63 65.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.416 -0.587 . . . . 74.109999999999999 109.416 176.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -88.98 89.47 8.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.834 -0.621 . . . . 72.109999999999999 109.796 173.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -119.74 -47.74 2.4 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.537 -0.912 . . . . 71.230000000000004 108.537 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 29.5 t60 61.25 -78.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 114.705 -1.134 . . . . 62.240000000000002 111.595 177.094 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -168.62 -26.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.322 0.119 . . . . 72.209999999999994 111.322 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 28.1 p80 49.28 -169.14 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.97 0.908 . . . . 75.329999999999998 111.336 -172.316 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 . . . . . 0 C--O 1.244 0.806 0 CA-C-O 117.932 -1.033 . . . . 73.150000000000006 109.041 173.665 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 110.459 -0.2 . . . . 61.340000000000003 110.459 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -137.45 91.32 2.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.309 0.576 . . . . 62.25 110.511 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -101.72 14.19 32.68 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.301 -0.863 . . . . 72.510000000000005 109.443 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -81.85 -14.52 56.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.036 -0.983 . . . . 72.140000000000001 111.179 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 p -109.7 96.75 6.47 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.733 -0.667 . . . . 74.409999999999997 111.68 -177.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 62.43 107.82 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.251 -0.886 . . . . 74.430000000000007 112.471 176.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.491 ' HE1' ' HE2' ' A' ' 28' ' ' LYS . 50.7 m-85 -75.52 130.95 39.69 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.624 -0.509 . . . . 72.430000000000007 109.624 173.417 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -104.3 149.78 25.03 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.015 -0.539 . . . . 75.430000000000007 110.651 -172.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.636 ' HB ' HD11 ' A' ' 74' ' ' ILE . 59.7 t -126.8 111.87 27.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.368 -0.378 . . . . 74.400000000000006 110.027 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -106.91 110.45 22.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.97 0.414 . . . . 73.140000000000001 110.117 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.586 HG23 HG11 ' A' ' 127' ' ' VAL . 44.7 m -168.15 127.61 1.25 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.419 -0.81 . . . . 72.25 109.155 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -95.15 -78.71 0.44 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.529 -0.915 . . . . 65.239999999999995 108.529 170.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.62 130.82 0.23 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.844 -0.694 . . . . 72.340000000000003 113.037 173.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.5 m -144.84 112.66 6.31 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 122.043 -0.681 . . . . 75.209999999999994 111.8 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.421 ' HB2' ' HA ' ' A' ' 20' ' ' TYR . 30.3 p90 -75.3 140.02 42.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.351 -0.981 . . . . 61.509999999999998 108.351 170.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p -154.66 155.55 5.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.83 -0.348 . . . . 75.310000000000002 110.786 -171.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.3 m120 64.05 28.3 14.27 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.795 -0.639 . . . . 74.420000000000002 110.838 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.12 -16.66 36.95 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.718 -0.674 . . . . 63.43 112.497 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.767 ' HB3' HD22 ' A' ' 135' ' ' LEU . 17.6 mm-40 -80.48 126.44 31.21 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.039 -0.356 . . . . 75.319999999999993 110.039 -179.024 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.421 ' HA ' ' HB2' ' A' ' 15' ' ' TYR . 41.3 p90 -120.96 153.44 37.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.399 -0.364 . . . . 63.329999999999998 110.169 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.25 166.86 32.24 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.212 -0.449 . . . . 75.209999999999994 110.24 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.541 ' O ' ' HA ' ' A' ' 37' ' ' ALA . 61.4 p-90 -111.17 130.37 55.66 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.435 -0.58 . . . . 74.450000000000003 109.435 173.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.622 ' HB1' HG22 ' A' ' 127' ' ' VAL . . . -132.76 136.43 46.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.824 -0.626 . . . . 50.399999999999999 110.286 -176.209 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -142.21 138.63 31.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.294 -0.412 . . . . 75.219999999999999 110.746 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.32 105.25 7.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.781 -0.645 . . . . 73.400000000000006 109.499 172.497 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -87.68 110.96 20.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.154 -0.476 . . . . 74.319999999999993 110.545 -175.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.513 ' HB ' HG22 ' A' ' 32' ' ' VAL . 4.3 p -116.78 123.56 71.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.622 0.725 . . . . 74.219999999999999 111.162 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.491 ' HE2' ' HE1' ' A' ' 7' ' ' TYR . 15.5 ptpt -127.93 132.72 49.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.772 -0.649 . . . . 72.409999999999997 109.502 176.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.3 t70 65.66 11.85 7.82 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.458 0.647 . . . . 65.219999999999999 110.287 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.49 2.25 63.64 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.875 -0.602 . . . . 74.010000000000005 112.124 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.11 141.23 47.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.03 0.443 . . . . 62.149999999999999 110.28 -178.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.513 HG22 ' HB ' ' A' ' 27' ' ' VAL . 76.8 t -108.15 120.96 60.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.961 -0.563 . . . . 32.310000000000002 110.028 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -110.01 -18.47 13.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.318 -0.401 . . . . 73.340000000000003 110.874 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -137.69 138.7 39.65 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.034 -0.358 . . . . 72.109999999999999 110.034 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.14 148.28 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.342 0.401 . . . . 64.120000000000005 110.445 177.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -175.81 171.53 2.65 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 109.861 -0.422 . . . . 71.409999999999997 109.861 173.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.541 ' HA ' ' O ' ' A' ' 22' ' ' TRP . . . -157.16 109.56 2.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.583 -0.735 . . . . 64.420000000000002 109.299 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -132.14 173.51 11.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.738 0.304 . . . . 72.340000000000003 110.385 -174.833 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.7 m -103.31 130.48 53.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.084 0.468 . . . . 71.25 110.833 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.51 111.78 0.36 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.739 -0.743 . . . . 63.25 112.562 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -108.66 101.66 10.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.094 0.473 . . . . 55.509999999999998 109.958 178.141 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -147.53 144.42 19.37 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.67 -0.695 . . . . 74.109999999999999 109.679 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -49.62 -54.13 5.95 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.271 2.647 . . . . 64.129999999999995 113.368 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.16 -27.87 67.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.94 0.4 . . . . 72.310000000000002 111.445 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' ' 49' ' ' ARG . . . -74.01 -32.71 63.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.074 0.464 . . . . 54.210000000000001 110.402 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.83 -16.44 61.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 43.049999999999997 111.348 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 m -72.24 -37.09 69.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.896 0.379 . . . . 63.329999999999998 111.569 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 68.5 mtm -76.01 -47.23 25.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.989 0.423 . . . . 53.25 110.982 -176.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 4.7 ptp85 -73.75 136.69 43.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.189 -0.46 . . . . 72.019999999999996 110.21 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -80.19 19.51 0.74 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.983 0.421 . . . . 74.200000000000003 111.773 -174.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.8 t -68.63 -27.99 38.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.425 0.631 . . . . 70.329999999999998 109.387 171.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.524 ' HA ' HG12 ' A' ' 55' ' ' ILE . . . -53.3 -29.88 35.83 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 114.92 -1.036 . . . . 73.019999999999996 112.29 -177.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.47 -47.31 85.52 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.54 -0.838 . . . . 73.439999999999998 112.146 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.59 -46.14 73.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.702 0.287 . . . . 55.399999999999999 111.322 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.524 HG12 ' HA ' ' A' ' 52' ' ' ALA . 40.0 pt -66.81 -32.56 58.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 121.028 -0.269 . . . . 43.350000000000001 111.497 -177.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.87 93.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.881 0.372 . . . . 52.0 110.719 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.8 -33.74 68.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 73.140000000000001 110.644 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.5 -27.46 61.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 74.109999999999999 110.569 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.7 tp -65.46 -31.47 72.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.778 -0.646 . . . . 60.43 110.718 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -66.45 -26.82 67.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 70.230000000000004 110.58 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.82 -36.59 82.71 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.822 -0.436 . . . . 61.219999999999999 109.822 175.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.484 HG13 HG12 ' A' ' 109' ' ' ILE . 93.0 t -65.33 -37.77 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.594 -0.73 . . . . 74.25 109.949 175.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 11.9 tmtt? -66.31 -36.79 83.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.361 -0.836 . . . . 75.400000000000006 110.095 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -75.9 -47.99 23.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.546 -0.297 . . . . 73.310000000000002 111.605 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.401 ' HB3' HG13 ' A' ' 109' ' ' ILE . . . -58.27 -32.47 68.42 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.282 0.475 . . . . 75.319999999999993 112.282 -173.69 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 p -65.43 -27.98 68.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.69 0.281 . . . . 64.319999999999993 111.208 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -83.12 -33.36 26.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.437 -0.347 . . . . 62.030000000000001 110.875 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.04 -24.91 55.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 74.519999999999996 110.536 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.84 1.72 61.53 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.89 -0.671 . . . . 72.0 112.37 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.1 m -97.08 145.28 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.058 0.456 . . . . 62.130000000000003 111.067 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.765 ' HA ' HG23 ' A' ' 109' ' ' ILE . 9.1 mptt -132.09 -177.09 4.29 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.96 -0.756 . . . . 64.030000000000001 108.96 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.779 HG12 ' HA ' ' A' ' 110' ' ' TYR . 1.7 pp -108.58 152.36 10.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.207 -1.034 . . . . 65.120000000000005 108.207 171.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -135.1 101.52 4.9 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.302 0.572 . . . . 63.100000000000001 111.85 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.636 HD11 ' HB ' ' A' ' 9' ' ' VAL . 47.5 mm -86.12 118.0 31.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.669 -0.863 . . . . 71.150000000000006 108.669 170.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.48 112.88 2.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.18 0.514 . . . . 64.109999999999999 110.878 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -145.1 170.72 15.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.63 -0.714 . . . . 73.329999999999998 109.976 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -75.53 156.71 34.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.137 -0.483 . . . . 71.120000000000005 109.964 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 62.78 58.41 1.57 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.435 0.635 . . . . 70.340000000000003 110.635 -175.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.15 -35.69 12.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.977 -0.556 . . . . 75.510000000000005 111.767 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.84 -21.0 74.89 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 121.349 -0.453 . . . . 51.219999999999999 113.369 -173.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.441 HD11 ' HB2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -60.15 -32.01 49.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 120.885 0.374 . . . . 75.230000000000004 110.773 -179.109 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.35 -11.45 60.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.501 -0.318 . . . . 44.340000000000003 111.683 -176.437 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -74.58 -32.84 62.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.066 0.46 . . . . 70.439999999999998 110.567 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -74.05 -21.02 60.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.3 0.571 . . . . 74.010000000000005 110.242 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.768 ' HB1' ' HA ' ' A' ' 103' ' ' MET . . . -92.29 1.36 57.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.397 -0.819 . . . . 72.340000000000003 111.919 -177.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.6 p -51.93 -40.25 60.48 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.825 0.676 . . . . 72.120000000000005 112.825 -174.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -113.35 -111.55 3.03 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.49 -0.862 . . . . 63.32 111.861 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -96.75 -59.48 1.8 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.903 0.382 . . . . 72.310000000000002 110.044 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TRP . . . . . 0.679 ' HA ' ' HB1' ' A' ' 100' ' ' ALA . 8.1 p-90 -167.05 120.21 0.98 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.012 -0.54 . . . . 73.439999999999998 110.85 176.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.758 ' HE2' ' HA ' ' A' ' 90' ' ' LYS . 8.0 mmpt? -89.3 117.97 28.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.892 -0.594 . . . . 73.450000000000003 110.733 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -112.27 102.73 10.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.821 -0.627 . . . . 65.200000000000003 111.249 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -81.84 -46.64 13.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.244 -0.434 . . . . 72.349999999999994 109.869 174.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -142.62 -73.71 0.29 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.681 -0.69 . . . . 74.430000000000007 110.435 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -149.15 -56.96 0.2 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.918 -0.583 . . . . 74.510000000000005 110.836 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -54.36 -31.88 55.61 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.164 -0.471 . . . . 65.329999999999998 111.902 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.646 ' HA ' ' HD2' ' A' ' 99' ' ' TYR . 5.6 p -58.75 -28.01 65.48 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.951 -0.568 . . . . 71.019999999999996 112.033 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -38.05 83.24 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.863 0.363 . . . . 74.409999999999997 110.461 179.058 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.02 -38.54 75.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 73.209999999999994 110.402 178.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.646 ' HD2' ' HA ' ' A' ' 96' ' ' THR . 73.3 m-85 -65.3 -43.42 91.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.816 -0.629 . . . . 75.209999999999994 110.616 177.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.679 ' HB1' ' HA ' ' A' ' 89' ' ' TRP . . . -73.48 -26.81 61.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.769 -0.65 . . . . 73.329999999999998 111.671 -177.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.65 -20.61 66.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.27 0.557 . . . . 74.409999999999997 110.029 177.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.621 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 84.5 mt -84.34 29.21 0.59 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.914 -0.584 . . . . 71.120000000000005 110.175 177.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.768 ' HA ' ' HB1' ' A' ' 85' ' ' ALA . 15.8 tmm? -60.39 -27.53 67.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 72.019999999999996 110.96 178.021 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -51.06 -45.22 61.31 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.626 -0.715 . . . . 74.430000000000007 111.668 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.621 ' HG3' ' O ' ' A' ' 102' ' ' LEU . 4.7 pp0? -73.76 -18.98 60.91 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.731 0.3 . . . . 71.129999999999995 111.522 -177.169 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -77.32 -32.73 55.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.26 0.553 . . . . 74.109999999999999 109.738 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -74.85 114.82 13.74 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.833 -0.621 . . . . 71.409999999999997 110.055 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.31 100.1 0.77 Allowed Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.186 -1.166 . . . . 54.520000000000003 110.186 -172.335 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.765 HG23 ' HA ' ' A' ' 71' ' ' LYS . 46.2 mm -60.6 -31.52 49.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 112.45 0.537 . . . . 74.299999999999997 112.45 -171.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.779 ' HA ' HG12 ' A' ' 72' ' ' ILE . 5.3 p90 -116.27 147.89 41.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.163 0.506 . . . . 73.349999999999994 111.363 -176.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.4 t -157.27 169.07 25.58 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.147 -1.057 . . . . 70.519999999999996 108.147 175.418 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -156.01 137.1 13.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.019 0.438 . . . . 74.030000000000001 110.721 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -123.67 134.55 53.72 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.495 -0.775 . . . . 73.310000000000002 109.476 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.7 mppt? -85.23 106.78 16.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.172 0.51 . . . . 74.140000000000001 111.165 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 34.9 m -122.84 165.94 18.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.157 -0.929 . . . . 65.439999999999998 109.062 176.182 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -43.53 137.3 2.92 Favored 'General case' 0 C--O 1.238 0.481 0 O-C-N 123.463 0.477 . . . . 72.239999999999995 111.109 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.45 142.45 5.76 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.585 -0.734 . . . . 64.209999999999994 112.517 -171.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -90.83 -54.71 3.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.346 -0.843 . . . . 75.439999999999998 110.604 -176.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.9 m -149.07 -31.75 0.23 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.639 0.607 . . . . 75.230000000000004 112.639 -175.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 78.74 62.1 2.31 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.228 -0.986 . . . . 73.140000000000001 111.625 -175.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -79.8 161.82 25.46 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.703 -0.48 . . . . 74.140000000000001 109.703 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -60.71 -31.31 70.61 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.223 0.453 . . . . 71.200000000000003 112.223 -176.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -74.9 -32.4 61.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.529 0.68 . . . . 65.510000000000005 109.723 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -71.84 -47.24 54.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.932 -1.031 . . . . 72.310000000000002 110.566 -176.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -62.38 -33.77 75.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 64.400000000000006 110.789 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -61.35 -44.54 97.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 75.5 111.133 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.622 HG22 ' HB1' ' A' ' 23' ' ' ALA . 14.2 p -77.3 -36.2 23.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 116.552 -0.294 . . . . 72.239999999999995 111.026 -177.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.497 ' CG ' ' HZ3' ' A' ' 132' ' ' LYS . 30.9 t70 -72.02 -33.15 67.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.966 0.412 . . . . 63.25 110.952 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 54.2 ttp -61.46 -36.36 80.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.139 0.495 . . . . 73.209999999999994 110.195 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.476 ' HD3' ' O ' ' A' ' 130' ' ' LYS . 2.2 tmtp? -69.11 -42.21 76.4 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.046 -0.724 . . . . 71.430000000000007 109.046 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.536 ' O ' ' HG ' ' A' ' 135' ' ' LEU . . . -58.77 -49.78 76.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.024 -0.535 . . . . 44.130000000000003 111.088 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.497 ' HZ3' ' CG ' ' A' ' 128' ' ' ASP . 14.2 mptt -53.72 -47.41 70.59 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.801 0.334 . . . . 73.409999999999997 111.016 177.007 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.0 m -62.44 -39.35 93.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.962 -0.563 . . . . 70.430000000000007 111.07 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.0 -18.97 61.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.364 -0.38 . . . . 54.210000000000001 111.183 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.767 HD22 ' HB3' ' A' ' 19' ' ' GLN . 98.1 mt -91.93 -7.58 48.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.361 -0.381 . . . . 70.140000000000001 110.448 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.74 23.64 41.63 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.556 -0.83 . . . . 61.539999999999999 112.093 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 58.8 mt -99.1 145.85 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.596 -0.52 . . . . 72.109999999999999 109.596 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.63 -177.92 6.52 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.762 0.315 . . . . 73.239999999999995 110.368 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.584 ' OD2' ' HB2' ' A' ' 142' ' ' HIS . 2.9 p-10 -58.96 139.98 56.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.071 -0.513 . . . . 65.049999999999997 110.676 177.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.91 -69.07 0.39 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.743 1.016 . . . . 60.25 113.743 -163.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -105.79 27.01 8.9 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.512 0.56 . . . . 75.349999999999994 112.512 -166.503 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.584 ' HB2' ' OD2' ' A' ' 139' ' ' ASP . 31.4 m170 -94.75 163.03 13.53 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.613 -0.435 . . . . 75.230000000000004 109.942 173.758 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -82.95 53.59 2.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.854 -0.612 . . . . 75.010000000000005 109.438 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -75.18 76.38 2.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.658 -0.701 . . . . 73.129999999999995 111.304 -172.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -135.15 146.69 49.0 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.827 -0.805 . . . . 72.109999999999999 108.827 174.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -86.11 16.59 4.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.852 0.358 . . . . 72.340000000000003 111.484 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.265 -0.874 . . . . 72.540000000000006 109.471 174.623 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.762 0.315 . . . . 54.109999999999999 110.929 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -144.84 136.48 25.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.168 -0.469 . . . . 73.030000000000001 110.385 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.403 ' HB2' ' HB2' ' A' ' 28' ' ' LYS . 8.1 p-10 -141.4 26.06 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.844 -0.616 . . . . 64.120000000000005 109.674 178.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -84.55 -2.23 57.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.543 -0.753 . . . . 75.219999999999999 112.753 -170.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 p -115.68 95.84 5.33 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.112 0.782 . . . . 63.020000000000003 113.112 -175.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 71' ' ' LYS . 18.9 tt0 65.24 125.79 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 114.977 -1.011 . . . . 72.030000000000001 112.661 170.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.487 ' HB2' HG22 ' A' ' 72' ' ' ILE . 91.1 m-85 -109.78 128.38 55.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.141 -0.481 . . . . 74.140000000000001 111.703 -176.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -103.87 108.68 20.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.756 -0.831 . . . . 75.019999999999996 108.756 171.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.483 ' O ' ' HD3' ' A' ' 73' ' ' ARG . 21.9 t -96.15 136.74 26.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.098 -0.501 . . . . 71.439999999999998 110.998 -168.222 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -93.64 172.57 8.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.822 0.344 . . . . 73.329999999999998 111.595 -177.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.3 m 67.71 103.71 0.05 OUTLIER 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.092 -0.958 . . . . 75.120000000000005 111.638 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.9 -17.34 63.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.247 0.546 . . . . 74.319999999999993 110.566 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.24 36.49 34.73 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 110.732 -0.947 . . . . 65.420000000000002 110.732 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.5 p -98.41 151.82 20.15 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.992 -0.604 . . . . 70.409999999999997 111.351 -176.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.461 ' HB3' ' HD1' ' A' ' 20' ' ' TYR . 43.6 p90 -64.25 141.07 58.9 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.448 -0.575 . . . . 75.219999999999999 109.448 174.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -120.56 120.77 63.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.259 0.552 . . . . 64.430000000000007 111.08 -175.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.2 m120 60.76 27.63 17.39 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.59 -0.732 . . . . 45.43 111.935 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.06 -14.17 61.53 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.469 -0.872 . . . . 73.430000000000007 113.379 175.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -106.13 127.05 52.93 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.395 -0.473 . . . . 73.25 110.14 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.461 ' HD1' ' HB3' ' A' ' 15' ' ' TYR . 92.2 t80 -98.31 135.29 40.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.993 -0.549 . . . . 60.399999999999999 111.458 -176.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.11 153.53 35.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.046 -0.979 . . . . 75.450000000000003 108.436 174.597 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -95.45 130.71 42.17 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.446 -0.502 . . . . 74.120000000000005 109.746 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.692 ' HB1' HG12 ' A' ' 127' ' ' VAL . . . -142.66 149.82 39.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.775 -0.648 . . . . 63.43 110.966 -172.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -145.62 142.74 29.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.375 -0.375 . . . . 55.399999999999999 110.399 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.883 ' HB2' HG21 ' A' ' 127' ' ' VAL . . . -135.74 102.95 5.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.39 -0.368 . . . . 71.400000000000006 110.784 176.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -91.55 116.61 29.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.703 0.763 . . . . 75.329999999999998 110.689 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.601 ' HA ' ' HA ' ' A' ' 32' ' ' VAL . 1.8 p -118.09 142.87 30.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 114.891 -1.05 . . . . 75.430000000000007 111.057 -174.066 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 3' ' ' ASP . 0.2 OUTLIER -137.95 135.86 36.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.955 -0.566 . . . . 72.310000000000002 109.879 177.556 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.5 t70 61.88 15.92 7.56 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.7 0.762 . . . . 71.140000000000001 111.198 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.94 -9.94 63.91 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.746 -0.74 . . . . 64.129999999999995 112.498 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -109.85 131.47 55.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.96 0.409 . . . . 72.549999999999997 110.496 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.601 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 7.1 p -78.81 132.65 31.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.982 -0.554 . . . . 65.430000000000007 109.593 177.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.466 ' HB3' ' OE1' ' A' ' 54' ' ' GLU . 29.1 t-80 -77.11 -59.63 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.816 -0.439 . . . . 63.32 109.816 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -142.5 143.39 32.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.027 -0.533 . . . . 75.340000000000003 110.561 174.031 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.772 ' HB2' HG22 ' A' ' 127' ' ' VAL . 0.0 OUTLIER -137.92 129.76 28.49 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.568 -0.742 . . . . 70.239999999999995 109.762 -178.626 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.75 ' HB3' HG22 ' A' ' 51' ' ' VAL . 2.0 t70 -157.83 171.26 20.6 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.131 -0.322 . . . . 71.540000000000006 110.131 -177.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -155.87 150.51 26.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.663 0.268 . . . . 72.420000000000002 110.985 -175.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -148.31 176.23 10.43 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.777 -0.453 . . . . 73.040000000000006 109.777 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.8 t -117.94 146.34 22.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.143 0.497 . . . . 62.310000000000002 111.133 -174.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.27 115.43 0.37 Allowed Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.647 -0.706 . . . . 72.040000000000006 113.244 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -87.51 94.06 9.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.957 0.408 . . . . 61.43 110.631 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -125.59 151.29 70.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.978 -0.555 . . . . 73.409999999999997 109.924 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.36 -34.93 97.66 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.539 2.16 . . . . 64.400000000000006 111.89 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.54 -9.52 58.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.92 -0.582 . . . . 35.420000000000002 110.954 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.29 6.56 46.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.823 -0.626 . . . . 63.140000000000001 111.0 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.32 -45.5 45.47 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.086 0.469 . . . . 73.319999999999993 111.398 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.648 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 29.4 m -95.43 -60.99 1.54 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.467 -0.568 . . . . 71.319999999999993 109.467 172.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.546 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 2.0 tpt 66.86 -58.84 0.39 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.412 1.085 . . . . 72.549999999999997 112.104 173.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -126.51 -71.42 0.69 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.538 -0.301 . . . . 73.549999999999997 110.387 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -158.13 -9.13 0.08 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.779 0.323 . . . . 74.420000000000002 111.808 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.75 HG22 ' HB3' ' A' ' 36' ' ' ASP . 16.1 t -57.24 -29.55 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 N-CA-C 112.807 0.669 . . . . 63.530000000000001 112.807 -172.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.648 ' HB2' ' HA ' ' A' ' 47' ' ' THR . . . -64.92 -16.26 63.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.118 0.785 . . . . 52.219999999999999 113.118 -174.418 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.19 -53.28 46.98 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.754 -0.736 . . . . 61.119999999999997 112.432 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.466 ' OE1' ' HB3' ' A' ' 33' ' ' HIS . 31.6 mm-40 -64.97 -31.76 73.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.779 0.323 . . . . 62.409999999999997 110.777 178.228 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.4 mm -58.46 -45.66 89.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 61.119999999999997 110.325 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.438 ' O ' ' HD1' ' A' ' 60' ' ' TYR . . . -66.44 -37.55 85.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.989 -0.55 . . . . 50.32 110.874 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.8 88.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 73.349999999999994 110.91 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.44 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -70.46 -39.46 74.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.981 -0.554 . . . . 51.439999999999998 111.311 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.0 tp -54.45 -56.63 16.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.418 . . . . 50.340000000000003 111.795 -177.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.438 ' HD1' ' O ' ' A' ' 56' ' ' ALA . 91.8 m-85 -67.13 -29.28 68.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.615 -0.266 . . . . 73.099999999999994 111.05 -177.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.24 76.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.373 -0.376 . . . . 72.430000000000007 110.404 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 58' ' ' ALA . 92.9 t -61.56 -38.2 79.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.396 -0.365 . . . . 73.519999999999996 110.723 178.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -57.36 -43.24 83.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 61.149999999999999 111.331 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -77.01 -34.21 57.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.738 0.304 . . . . 70.409999999999997 111.452 176.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.29 -27.23 54.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.791 -0.64 . . . . 32.219999999999999 112.216 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.9 p -50.32 -44.09 54.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.394 -0.366 . . . . 62.439999999999998 111.823 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -73.7 -32.64 64.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.37 -0.377 . . . . 55.509999999999998 111.585 -177.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 mp -78.87 -25.86 43.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.978 0.418 . . . . 74.319999999999993 110.74 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.82 44.46 56.19 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.788 -0.72 . . . . 53.329999999999998 112.485 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.9 m -101.33 163.72 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 110.317 -0.253 . . . . 74.209999999999994 110.317 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.45 ' HE3' ' HB3' ' A' ' 71' ' ' LYS . 0.6 OUTLIER -116.81 133.89 55.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.749 0.309 . . . . 74.439999999999998 110.729 -176.484 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.487 HG22 ' HB2' ' A' ' 7' ' ' TYR . 1.4 pp -119.58 151.32 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.799 -0.445 . . . . 63.32 109.799 173.244 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.483 ' HD3' ' O ' ' A' ' 9' ' ' VAL . 61.6 ttt180 -85.13 120.51 26.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.501 -0.318 . . . . 74.5 111.289 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.465 HG22 ' C ' ' A' ' 111' ' ' SER . 10.8 tp -84.9 139.96 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 107.942 -1.133 . . . . 65.219999999999999 107.942 168.541 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.483 ' H ' HD22 ' A' ' 75' ' ' LEU . 1.5 mm? -83.12 -63.9 1.27 Allowed 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.328 -0.396 . . . . 52.009999999999998 111.836 -168.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -142.74 -165.04 1.96 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.263 -0.643 . . . . 74.439999999999998 109.263 -177.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -49.54 114.68 1.1 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.38 0.609 . . . . 62.310000000000002 109.851 174.512 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -117.9 100.57 7.66 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.743 -0.662 . . . . 74.409999999999997 110.915 -173.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.34 -15.04 62.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.032 -0.531 . . . . 73.209999999999994 111.006 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -56.4 -49.9 65.98 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.962 -0.563 . . . . 34.020000000000003 113.044 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.512 HD12 ' N ' ' A' ' 82' ' ' ALA . 2.7 pp -65.57 -26.87 40.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.903 0.383 . . . . 73.140000000000001 111.274 -178.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.512 ' N ' HD12 ' A' ' 81' ' ' ILE . . . -76.41 -38.57 55.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.195 -0.457 . . . . 71.239999999999995 110.124 177.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -66.91 -41.89 86.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.855 -0.612 . . . . 62.240000000000002 110.754 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -67.1 -40.1 86.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.908 0.385 . . . . 74.430000000000007 110.711 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.59 -22.84 65.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.149 -0.478 . . . . 33.530000000000001 111.442 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.4 p -117.95 23.15 11.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.152 0.501 . . . . 64.519999999999996 110.588 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.13 5.84 84.03 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.831 -0.622 . . . . 61.049999999999997 113.53 -175.14 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -93.6 -59.08 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.646 -0.501 . . . . 72.239999999999995 109.646 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -135.3 164.99 26.49 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.04 -0.726 . . . . 74.340000000000003 109.04 173.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -64.97 127.09 30.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.253 0.549 . . . . 71.510000000000005 111.31 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.502 ' HA ' ' OG1' ' A' ' 96' ' ' THR . . . -105.99 137.99 42.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.833 -0.622 . . . . 53.119999999999997 111.152 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -152.06 -57.56 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.453 -0.573 . . . . 74.400000000000006 109.453 175.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -142.43 -19.0 0.7 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.326 -0.397 . . . . 74.319999999999993 111.267 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -81.02 -164.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.231 0.456 . . . . 70.129999999999995 112.231 -172.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -52.32 -29.61 24.32 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.491 0.716 . . . . 70.109999999999999 112.289 -174.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.502 ' OG1' ' HA ' ' A' ' 91' ' ' ALA . 1.2 p -59.57 -28.71 67.38 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.97 -0.559 . . . . 62.109999999999999 112.278 -179.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.455 ' HA ' ' OE1' ' A' ' 97' ' ' GLN . 13.0 mm-40 -70.23 -34.88 73.42 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.173 0.511 . . . . 73.439999999999998 110.484 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.79 -33.48 66.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.862 -0.608 . . . . 74.420000000000002 109.965 175.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -64.24 -40.58 96.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.431 -0.804 . . . . 70.019999999999996 110.158 175.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.9 -36.28 79.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.96 -0.564 . . . . 74.140000000000001 110.377 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.444 ' HE3' ' HB2' ' A' ' 101' ' ' LYS . 27.9 ttmt -74.09 -16.62 61.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.796 -0.638 . . . . 63.450000000000003 110.518 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.53 -42.06 87.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.352 0.596 . . . . 54.340000000000003 109.457 172.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.438 ' HA ' ' CE2' ' A' ' 106' ' ' TYR . 23.8 mmt -70.28 -33.06 71.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.538 -0.755 . . . . 73.109999999999999 109.588 176.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.658 ' O ' ' HG2' ' A' ' 107' ' ' ARG . 19.1 t-20 -64.26 -22.65 67.02 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 114.897 -1.047 . . . . 73.200000000000003 110.998 178.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -54.31 -46.71 72.87 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.61 -0.268 . . . . 73.5 110.769 177.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.438 ' CE2' ' HA ' ' A' ' 103' ' ' MET . 48.7 p90 -99.46 27.74 5.06 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.486 0.55 . . . . 71.030000000000001 112.486 -173.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.658 ' HG2' ' O ' ' A' ' 104' ' ' ASN . 0.5 OUTLIER -68.67 123.63 21.42 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.304 -0.628 . . . . 63.240000000000002 109.304 171.144 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 160.71 -28.08 0.31 Allowed Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.079 -0.808 . . . . 63.219999999999999 111.079 -175.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.6 mt -60.96 -39.33 81.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 109.366 -0.605 . . . . 73.409999999999997 109.366 172.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -110.34 143.7 40.18 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.16 -0.681 . . . . 73.310000000000002 109.16 172.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.465 ' C ' HG22 ' A' ' 74' ' ' ILE . 63.1 m -162.24 163.48 28.19 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 107.591 -1.262 . . . . 75.140000000000001 107.591 176.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -101.08 136.05 41.55 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.552 -0.859 . . . . 71.120000000000005 109.418 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -107.17 103.77 13.24 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.218 -0.901 . . . . 73.409999999999997 108.816 -175.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.414 ' H ' ' HG2' ' A' ' 114' ' ' LYS . 9.0 pttt -77.61 78.49 4.12 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.609 0.719 . . . . 74.019999999999996 111.638 -172.703 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.9 m -119.43 143.13 31.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.08 -0.963 . . . . 71.099999999999994 109.073 175.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -81.11 89.13 5.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.941 0.877 . . . . 60.119999999999997 110.869 -176.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.64 99.34 8.1 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.119 -1.4 . . . . 74.239999999999995 111.149 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -142.79 41.86 1.57 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.462 -0.79 . . . . 64.549999999999997 109.323 174.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.4 m -73.18 -26.91 61.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.232 -0.895 . . . . 42.340000000000003 111.606 -176.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 96.7 18.38 30.28 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.611 -0.804 . . . . 34.009999999999998 111.241 -175.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -63.69 115.52 4.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.251 -0.475 . . . . 73.0 110.236 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.8 -29.75 70.95 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.17 0.433 . . . . 71.450000000000003 112.17 -174.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.636 ' HA ' ' HD2' ' A' ' 126' ' ' TYR . 72.5 m-85 -66.42 -38.68 88.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.211 0.529 . . . . 64.200000000000003 109.857 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -72.49 -40.2 67.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.58 -0.736 . . . . 71.310000000000002 109.808 174.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.9 -26.26 64.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.091 -0.959 . . . . 53.439999999999998 111.587 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.636 ' HD2' ' HA ' ' A' ' 123' ' ' PHE . 8.2 m-85 -49.96 -52.84 30.44 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.261 0.553 . . . . 73.409999999999997 110.703 176.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.883 HG21 ' HB2' ' A' ' 25' ' ' ALA . 2.2 t -75.23 -33.13 27.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.209 -0.905 . . . . 70.219999999999999 111.231 -171.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.68 -43.0 94.19 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.139 0.495 . . . . 75.510000000000005 109.789 175.551 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 59.7 ttp -70.43 -37.27 74.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.686 -0.688 . . . . 52.100000000000001 110.883 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 126' ' ' TYR . 87.4 mttt -64.82 -31.47 72.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.515 -0.311 . . . . 74.239999999999995 111.193 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.92 -38.16 84.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.995 0.426 . . . . 65.340000000000003 110.183 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -65.75 -48.18 72.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.817 -0.629 . . . . 71.430000000000007 110.619 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.4 p -64.85 -28.99 69.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.164 -0.471 . . . . 65.409999999999997 111.193 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.0 -23.29 66.54 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.337 -0.392 . . . . 73.099999999999994 111.838 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' A' ' 135' ' ' LEU . 3.7 mm? -90.25 -1.47 57.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.233 0.539 . . . . 74.120000000000005 110.171 177.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.9 23.15 42.81 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.737 -0.744 . . . . 73.400000000000006 113.087 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.0 mm -66.92 114.24 3.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.752 -0.462 . . . . 64.140000000000001 109.752 176.441 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 30.7 mtp85 58.21 54.18 5.99 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.731 0.644 . . . . 72.409999999999997 110.886 -175.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -128.84 143.62 50.95 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.774 -0.648 . . . . 72.530000000000001 109.785 179.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 10.3 tt -67.74 -30.48 69.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.495 -0.32 . . . . 74.109999999999999 110.966 -178.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -80.9 -9.83 59.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.727 0.299 . . . . 41.439999999999998 111.471 -176.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -96.0 112.49 24.21 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.211 -0.663 . . . . 72.430000000000007 109.211 175.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -107.64 -175.71 2.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.996 0.426 . . . . 74.019999999999996 110.782 -173.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -97.74 172.13 7.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.671 -0.863 . . . . 74.439999999999998 108.671 173.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -73.32 114.72 11.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.213 0.53 . . . . 74.519999999999996 110.229 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -133.24 81.13 1.92 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.553 -0.536 . . . . 73.519999999999996 109.553 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 . . . . . 0 C--O 1.244 0.81 0 CA-C-N 115.763 -0.653 . . . . 72.430000000000007 109.305 179.07 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptm . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.857 -0.423 . . . . 72.120000000000005 109.857 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.4 t70 62.11 29.03 17.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.973 0.892 . . . . 52.509999999999998 110.357 -175.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.42 66.34 8.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.038 -0.983 . . . . 63.229999999999997 109.259 175.67 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -100.47 1.95 41.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.757 -1.11 . . . . 73.540000000000006 111.252 -173.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 6.0 p -122.94 113.4 19.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.147 -0.478 . . . . 75.299999999999997 110.502 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 5' ' ' THR . 0.5 OUTLIER 44.42 -163.96 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.03 0.932 . . . . 62.229999999999997 112.393 -176.825 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -138.6 157.41 46.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.273 -0.421 . . . . 73.25 110.191 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.499 ' HB2' HG13 ' A' ' 27' ' ' VAL . 10.4 m-20 -82.96 131.27 35.19 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.534 -0.543 . . . . 71.129999999999995 109.534 175.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.8 t -126.14 126.02 68.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.98 -0.378 . . . . 63.25 109.98 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.612 ' CE2' HG11 ' A' ' 27' ' ' VAL . 21.9 m-85 -110.68 -174.32 2.45 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.582 -0.525 . . . . 71.230000000000004 109.582 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.6 m 74.42 86.8 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.887 0.742 . . . . 75.219999999999999 110.293 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.609 ' CG ' ' HA ' ' A' ' 117' ' ' ALA . 0.6 OUTLIER -57.49 -38.49 74.66 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.506 -0.77 . . . . 74.310000000000002 109.498 177.031 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.81 112.15 0.4 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.987 -1.006 . . . . 70.150000000000006 111.065 -177.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.2 m -77.34 84.04 3.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.905 0.383 . . . . 71.310000000000002 111.988 -174.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -145.68 145.86 31.06 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.962 -0.385 . . . . 62.219999999999999 109.962 171.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.4 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 10.9 p -164.77 140.7 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.98 -0.555 . . . . 72.25 109.999 -177.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.5 m120 61.64 28.09 17.35 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.95 0.352 . . . . 74.310000000000002 111.95 178.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.51 -0.44 89.26 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.777 -0.725 . . . . 62.299999999999997 113.424 177.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.738 ' HG3' HD13 ' A' ' 135' ' ' LEU . 26.5 pt20 -118.06 149.67 40.6 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.395 -0.473 . . . . 74.319999999999993 109.968 178.202 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -139.06 159.88 41.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.131 0.491 . . . . 74.340000000000003 111.472 -174.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -139.25 169.67 17.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.116 -0.947 . . . . 54.109999999999999 108.967 176.254 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.437 ' CE2' ' HB3' ' A' ' 38' ' ' ASP . 42.1 p-90 -104.62 130.49 52.62 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.144 -0.622 . . . . 65.549999999999997 109.344 176.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.71 160.59 36.58 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.68 -0.691 . . . . 54.030000000000001 109.442 -177.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.49 ' HE2' ' HB3' ' A' ' 34' ' ' TYR . 55.4 p90 -163.64 165.3 23.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.991 0.424 . . . . 65.409999999999997 110.959 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.01 102.82 3.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.542 -0.753 . . . . 70.439999999999998 110.109 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.438 ' HB2' ' HB2' ' A' ' 34' ' ' TYR . 38.5 m-85 -84.81 113.93 21.71 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.173 0.511 . . . . 73.409999999999997 109.975 177.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.612 HG11 ' CE2' ' A' ' 10' ' ' TYR . 4.3 p -133.67 146.59 31.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.011 -0.995 . . . . 64.099999999999994 110.548 -171.087 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -150.58 135.04 17.19 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.716 -0.476 . . . . 70.400000000000006 109.716 174.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.1 t70 69.9 6.71 5.87 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.6 0.714 . . . . 74.430000000000007 110.295 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.41 -3.0 61.22 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.894 -0.669 . . . . 44.140000000000001 111.79 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -102.49 132.41 48.55 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.736 -0.468 . . . . 65.109999999999999 109.736 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -107.18 133.29 52.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.265 0 CA-C-N 115.422 -0.808 . . . . 74.349999999999994 110.399 -175.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -111.19 -33.11 6.55 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.794 -0.362 . . . . 61.240000000000002 111.509 -176.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.49 ' HB3' ' HE2' ' A' ' 24' ' ' TYR . 76.7 m-85 -114.91 139.07 50.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.537 -0.542 . . . . 71.200000000000003 109.537 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -165.74 120.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.31 0.381 . . . . 65.150000000000006 110.665 -173.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -171.97 167.93 6.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 34.130000000000003 110.432 173.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -155.52 126.42 7.01 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.684 -0.689 . . . . 72.310000000000002 110.277 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.437 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 23.3 t70 -146.93 171.8 14.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.329 -0.396 . . . . 71.010000000000005 110.107 -177.697 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.705 HG23 ' HE3' ' A' ' 41' ' ' LYS . 16.7 m -84.32 150.89 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.735 0.302 . . . . 71.340000000000003 110.952 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.79 120.91 24.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.956 -0.64 . . . . 63.219999999999999 112.655 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.705 ' HE3' HG23 ' A' ' 39' ' ' VAL . 11.4 mmpt? -102.58 -168.42 1.52 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.999 0.428 . . . . 74.150000000000006 110.344 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -66.59 155.42 88.94 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.616 -0.72 . . . . 71.230000000000004 111.333 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.94 -45.0 39.28 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 123.367 2.712 . . . . 64.510000000000005 113.12 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.41 -26.01 41.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.202 0.525 . . . . 74.349999999999994 110.482 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.597 ' O ' ' HB2' ' A' ' 49' ' ' ARG . . . -75.95 -3.83 37.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.779 -0.646 . . . . 75.120000000000005 110.834 178.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.73 -40.22 55.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.95 0.405 . . . . 40.340000000000003 110.242 176.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.9 m -85.18 -24.97 27.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.802 -0.635 . . . . 61.240000000000002 110.597 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.8 mtm -111.94 75.84 0.94 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.94 -0.573 . . . . 73.099999999999994 110.048 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.597 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 26.1 ttp180 -144.15 157.56 44.23 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.502 -0.772 . . . . 72.409999999999997 109.997 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -46.14 -44.94 16.23 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.63 0.581 . . . . 53.509999999999998 112.242 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.497 HG12 HG13 ' A' ' 55' ' ' ILE . 25.7 t -72.12 -28.02 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.777 -0.647 . . . . 74.540000000000006 111.962 -174.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.89 -29.42 41.75 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.734 0.642 . . . . 71.329999999999998 112.734 -173.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.53 -45.41 96.33 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.67 -0.776 . . . . 64.230000000000004 112.036 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -71.31 -40.01 71.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.948 0.404 . . . . 72.239999999999995 110.471 176.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.497 HG13 HG12 ' A' ' 51' ' ' VAL . 76.1 mt -59.45 -37.44 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.935 -0.575 . . . . 72.219999999999999 111.035 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.89 -39.08 71.04 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.298 -0.41 . . . . 64.340000000000003 111.252 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.52 90.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 65.030000000000001 110.817 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.79 -36.48 65.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.952 -0.567 . . . . 52.140000000000001 110.54 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.93 -37.86 88.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.804 -0.635 . . . . 74.329999999999998 110.28 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -69.35 -30.8 68.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.344 -0.389 . . . . 73.340000000000003 110.444 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.71 74.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.114 0.483 . . . . 72.129999999999995 109.976 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 110' ' ' TYR . 86.5 t -62.71 -36.08 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.695 -0.684 . . . . 74.129999999999995 110.087 175.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -68.0 -36.84 80.65 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.036 -0.529 . . . . 62.43 109.969 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -62.89 -37.49 87.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.989 -0.551 . . . . 73.430000000000007 111.089 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.86 -37.27 83.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.903 0.382 . . . . 62.310000000000002 110.246 175.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.558 ' HB2' HG13 ' A' ' 109' ' ' ILE . 39.0 t -65.12 -33.11 75.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.056 -0.52 . . . . 63.520000000000003 110.49 176.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.8 -35.53 80.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 72.209999999999994 110.909 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.1 mp -82.2 -25.81 33.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 64.140000000000001 110.706 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.48 27.31 9.96 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.933 -0.651 . . . . 70.319999999999993 112.465 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.8 m -121.99 167.78 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 110.405 -0.22 . . . . 73.439999999999998 110.405 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.432 ' HA ' HG23 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -147.02 -175.42 4.81 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.523 -0.547 . . . . 63.030000000000001 109.523 179.743 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 22.2 pt -107.27 151.54 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.714 -0.394 . . . . 70.409999999999997 110.074 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -128.24 101.63 6.33 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.283 0.564 . . . . 74.519999999999996 111.666 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.482 HD11 ' HA ' ' A' ' 112' ' ' PHE . 45.4 pt -115.33 143.03 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 115.388 -0.824 . . . . 71.409999999999997 108.881 171.646 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.587 ' H ' HD12 ' A' ' 75' ' ' LEU . 6.7 mp -47.74 111.67 0.46 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.92 0.39 . . . . 62.520000000000003 111.597 -177.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -154.58 7.27 0.29 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.986 -0.552 . . . . 63.5 110.484 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 58.98 -171.52 0.11 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.548 -0.751 . . . . 44.32 112.39 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -108.91 -2.93 17.97 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.224 -0.898 . . . . 75.019999999999996 111.345 -175.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.47 -55.16 31.76 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.332 0.493 . . . . 71.310000000000002 112.332 -173.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.89 -34.8 90.84 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.891 -0.671 . . . . 53.229999999999997 113.35 -176.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 62.0 mt -75.47 -41.73 42.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.86 0.362 . . . . 71.439999999999998 110.977 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.59 -39.33 83.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.885 -0.598 . . . . 52.0 112.026 -175.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -42.08 95.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.915 0.388 . . . . 54.450000000000003 111.424 -174.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -73.88 -22.59 59.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.372 -0.376 . . . . 70.219999999999999 111.369 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.08 -19.76 31.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.378 -0.374 . . . . 71.349999999999994 110.871 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.5 p -93.88 -38.33 11.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.691 0.281 . . . . 75.349999999999994 110.566 176.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.38 103.48 2.46 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.69 -0.767 . . . . 74.0 113.002 174.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -67.72 -39.98 84.25 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.342 0.592 . . . . 73.140000000000001 110.374 175.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -103.68 174.45 5.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.3 -0.864 . . . . 61.5 109.898 -175.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.466 ' HE3' ' HB2' ' A' ' 90' ' ' LYS . 45.4 mtmt -71.78 112.62 8.04 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.057 -0.72 . . . . 71.519999999999996 109.057 173.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -96.75 86.72 4.13 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.465 -0.494 . . . . 74.010000000000005 111.879 -172.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.522 ' HB3' ' OG1' ' A' ' 96' ' ' THR . 57.8 tptt 44.35 84.7 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 O-C-N 124.474 1.108 . . . . 51.329999999999998 112.623 172.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 63.55 13.31 7.14 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.039 -0.528 . . . . 55.109999999999999 110.749 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.416 ' HA ' ' HB2' ' A' ' 97' ' ' GLN . 4.0 mm-40 61.65 6.46 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.191 -0.913 . . . . 75.420000000000002 111.914 -176.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -72.48 -42.25 65.11 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.501 -0.925 . . . . 64.099999999999994 108.501 172.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.522 ' OG1' ' HB3' ' A' ' 92' ' ' LYS . 23.3 m -71.34 -28.02 63.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.886 -1.052 . . . . 70.530000000000001 110.321 178.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.416 ' HB2' ' HA ' ' A' ' 94' ' ' GLU . 0.2 OUTLIER -56.24 -48.18 77.02 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.868 0.366 . . . . 71.310000000000002 110.686 175.368 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.57 -33.21 68.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.275 0.56 . . . . 63.049999999999997 110.559 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.46 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 18.6 t80 -66.86 -34.44 77.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.633 -0.712 . . . . 74.230000000000004 110.767 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.64 -30.29 54.72 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.061 0.544 . . . . 53.439999999999998 111.817 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -54.56 -41.13 69.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 74.349999999999994 110.915 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.17 -26.67 12.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.015 -0.539 . . . . 62.439999999999998 110.812 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.659 ' O ' ' HG2' ' A' ' 107' ' ' ARG . 1.2 tmt? -67.58 -50.84 56.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.458 -0.337 . . . . 62.32 110.303 -176.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -74.99 -22.43 58.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.406 0.622 . . . . 75.450000000000003 109.951 -177.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -57.72 -41.05 80.99 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.081 -0.963 . . . . 64.310000000000002 111.423 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -85.33 -32.68 22.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.12 -0.491 . . . . 74.030000000000001 111.423 -177.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.659 ' HG2' ' O ' ' A' ' 103' ' ' MET . 15.3 mmt180 -73.34 157.69 36.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.718 0.294 . . . . 73.019999999999996 110.394 -177.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.51 78.45 1.08 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.5 -0.857 . . . . 24.199999999999999 111.789 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.558 HG13 ' HB2' ' A' ' 66' ' ' SER . 48.9 mm -79.79 -29.78 13.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.217 0.532 . . . . 70.420000000000002 110.341 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.432 ' CD1' HG11 ' A' ' 62' ' ' VAL . 1.5 p90 -140.42 147.63 39.98 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.13 -0.486 . . . . 70.200000000000003 110.21 178.541 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.9 m -155.75 156.93 35.69 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.902 -0.777 . . . . 62.119999999999997 108.902 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.482 ' HA ' HD11 ' A' ' 74' ' ' ILE . 85.8 m-85 -122.65 138.92 54.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.959 0.409 . . . . 64.420000000000002 110.896 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.52 148.33 45.9 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.241 -1.022 . . . . 75.540000000000006 108.241 175.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.76 91.44 6.07 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 121.325 0.583 . . . . 62.439999999999998 112.372 -171.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.3 t -102.52 157.96 4.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.465 -1.309 . . . . 71.120000000000005 107.465 170.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 43.5 tttm -81.37 137.49 35.71 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 119.268 -0.973 . . . . 64.510000000000005 110.485 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.609 ' HA ' ' CG ' ' A' ' 12' ' ' ASP . . . -56.32 106.38 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 72.129999999999995 112.069 -176.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 49.6 p-80 -143.05 7.03 1.59 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.341 -0.39 . . . . 73.340000000000003 111.573 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 71.9 m -58.42 -31.54 67.82 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 111.72 0.267 . . . . 61.210000000000001 111.72 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.31 45.51 11.25 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.609 -0.805 . . . . 52.299999999999997 112.531 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASN . . . . . 0.501 ' HB3' ' HB2' ' A' ' 124' ' ' ASN . 26.8 t-20 -116.27 146.75 42.14 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.899 -0.408 . . . . 62.520000000000003 109.899 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -60.79 -46.94 88.56 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 123.267 0.355 . . . . 64.329999999999998 111.852 -175.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -71.38 -27.99 63.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.433 0.635 . . . . 71.120000000000005 109.93 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.501 ' HB2' ' HB3' ' A' ' 121' ' ' ASN . 66.8 t30 -70.13 -44.67 68.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.228 -0.896 . . . . 72.230000000000004 110.419 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -69.35 -27.02 64.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.042 -0.526 . . . . 75.329999999999998 110.694 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.448 ' O ' ' HG2' ' A' ' 129' ' ' MET . 36.9 t80 -67.01 -42.07 85.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.661 -0.7 . . . . 74.439999999999998 110.952 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 13.2 p -75.14 -29.03 21.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.815 -0.354 . . . . 62.420000000000002 110.43 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -68.34 -45.97 71.45 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.56 -0.291 . . . . 74.349999999999994 111.037 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 126' ' ' TYR . 22.3 ptp -61.91 -32.66 73.07 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.91 0.386 . . . . 51.130000000000003 110.175 178.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -69.1 -43.08 75.19 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.133 -0.485 . . . . 64.040000000000006 110.289 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.87 98.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 52.25 110.807 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -56.98 -50.86 71.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.11 0.481 . . . . 71.230000000000004 110.651 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.0 m -61.49 -36.91 81.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.691 -0.686 . . . . 72.439999999999998 111.145 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.49 -26.88 66.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 71.129999999999995 111.322 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.738 HD13 ' HG3' ' A' ' 19' ' ' GLN . 95.5 mt -87.07 -18.13 31.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.904 0.383 . . . . 75.150000000000006 110.544 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 106.12 23.17 7.49 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.42 -0.895 . . . . 72.019999999999996 112.748 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 43.6 mm -78.79 138.45 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.869 -0.419 . . . . 74.310000000000002 109.869 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.797 ' HG2' ' H ' ' A' ' 139' ' ' ASP . 46.9 ttt180 70.58 -172.1 0.17 Allowed 'General case' 0 CA--C 1.536 0.41 0 O-C-N 123.661 0.6 . . . . 74.109999999999999 109.971 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.797 ' H ' ' HG2' ' A' ' 138' ' ' ARG . 30.3 t0 -75.29 164.19 26.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.902 0.382 . . . . 73.349999999999994 111.081 -176.651 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.61 23.19 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.978 -0.555 . . . . 70.439999999999998 112.299 -175.464 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.24 -25.93 68.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.112 0.482 . . . . 71.219999999999999 110.569 176.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -82.66 135.23 35.09 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.936 -0.764 . . . . 72.329999999999998 108.936 175.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -66.5 105.66 1.55 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.788 -0.449 . . . . 60.420000000000002 109.788 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -92.16 101.16 13.67 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.004 -0.543 . . . . 70.420000000000002 110.171 -174.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -58.16 134.54 56.58 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.12 -0.491 . . . . 65.120000000000005 110.196 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -92.05 -56.86 2.91 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.666 -0.865 . . . . 70.540000000000006 108.666 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.354 -0.831 . . . . 65.219999999999999 109.779 173.958 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.2 mtt . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.716 0.294 . . . . 70.120000000000005 110.325 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -91.26 130.82 37.09 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.226 -0.657 . . . . 62.43 109.226 172.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.794 ' HB3' ' HB2' ' A' ' 29' ' ' ASP . 7.3 p-10 -116.51 10.38 14.52 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.07 -0.514 . . . . 74.200000000000003 110.668 -176.229 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -108.34 3.55 23.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.183 -0.462 . . . . 72.450000000000003 111.068 -172.054 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.75 100.64 10.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.114 -0.494 . . . . 70.540000000000006 110.616 177.629 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.54 ' HA ' ' HB ' ' A' ' 70' ' ' VAL . 31.3 mt-10 60.44 -163.97 0.24 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.534 -0.757 . . . . 71.409999999999997 110.066 -174.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -118.37 163.67 16.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.658 0.742 . . . . 72.329999999999998 112.232 -177.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -126.54 112.19 15.25 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.738 -1.119 . . . . 73.439999999999998 108.736 168.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.1 t -131.1 136.59 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 122.323 -0.235 . . . . 74.439999999999998 110.416 -176.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -127.97 143.5 51.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.056 0.455 . . . . 75.510000000000005 110.968 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.1 t -147.96 21.22 1.12 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.716 -0.846 . . . . 70.219999999999999 108.716 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.477 ' OD2' ' HB1' ' A' ' 117' ' ' ALA . 12.5 t70 -65.23 105.06 1.02 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 114.899 -1.046 . . . . 74.5 110.393 -175.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.2 177.16 25.67 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.849 -0.691 . . . . 75.219999999999999 112.083 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.3 m -133.09 130.65 39.59 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.64 0.257 . . . . 72.140000000000001 110.962 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -80.46 157.84 26.08 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.263 -0.643 . . . . 73.140000000000001 109.263 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.75 117.12 51.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.144 0.497 . . . . 63.049999999999997 111.154 -177.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.4 m120 55.9 29.48 14.24 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.683 -0.69 . . . . 64.310000000000002 112.29 175.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.79 -15.94 62.31 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.518 -0.848 . . . . 61.130000000000003 112.625 178.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -77.61 126.27 30.63 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.424 -0.584 . . . . 71.400000000000006 109.424 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -134.45 147.38 50.4 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.091 0.472 . . . . 74.209999999999994 110.676 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.42 136.39 43.25 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.318 -0.993 . . . . 73.439999999999998 108.318 172.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 30.4 p-90 -82.99 130.01 35.1 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.445 -0.576 . . . . 73.010000000000005 109.445 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' A' ' 37' ' ' ALA . . . -166.44 135.28 2.97 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.576 -0.738 . . . . 73.019999999999996 110.159 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -148.04 -179.63 7.06 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.717 -0.674 . . . . 72.030000000000001 109.549 174.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' A' ' 35' ' ' GLU . . . -142.11 135.28 28.94 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.427 -0.351 . . . . 72.310000000000002 110.115 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.728 ' HB2' ' HB2' ' A' ' 34' ' ' TYR . 91.6 m-85 -84.18 97.29 9.3 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 108.906 -0.775 . . . . 72.299999999999997 108.906 176.614 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -90.32 146.57 6.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 114.759 -1.11 . . . . 73.140000000000001 108.649 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.608 ' CD ' ' HB2' ' A' ' 3' ' ' ASP . 1.4 tppm? -139.41 106.49 5.46 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.833 -0.432 . . . . 53.240000000000002 109.833 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.794 ' HB2' ' HB3' ' A' ' 3' ' ' ASP . 31.9 t70 67.1 22.98 9.74 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.123 -0.944 . . . . 71.230000000000004 110.199 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.56 -5.18 62.24 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.728 -0.749 . . . . 75.430000000000007 112.727 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -101.52 140.07 36.31 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.668 -0.493 . . . . 74.109999999999999 109.668 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.1 t -98.81 110.9 27.12 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 116.543 -0.299 . . . . 71.5 110.265 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -105.91 -24.1 12.52 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.738 -0.385 . . . . 71.450000000000003 110.851 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.728 ' HB2' ' HB2' ' A' ' 26' ' ' PHE . 44.1 m-85 -137.75 148.56 45.7 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.859 -0.422 . . . . 70.299999999999997 109.859 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -160.04 154.91 24.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.633 0.254 . . . . 73.510000000000005 110.923 178.289 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' OD2' ' HA ' ' A' ' 23' ' ' ALA . 4.6 p-10 -135.05 174.07 11.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.099 -0.501 . . . . 73.239999999999995 109.868 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HA ' ' HB2' ' A' ' 23' ' ' ALA . . . 179.88 119.37 0.06 Allowed 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.848 0.717 . . . . 70.439999999999998 110.656 174.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -161.74 167.88 24.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.738 0.304 . . . . 75.439999999999998 110.637 175.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.7 m -92.95 -178.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.493 -0.322 . . . . 73.430000000000007 110.478 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.0 84.67 0.48 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.72 -0.752 . . . . 65.239999999999995 112.345 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm -106.41 -168.52 1.43 Allowed 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 110.017 -0.364 . . . . 73.200000000000003 110.017 178.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -95.39 154.86 39.27 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 116.263 -0.426 . . . . 71.049999999999997 110.807 -175.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.7 ' HA ' ' HB3' ' A' ' 46' ' ' ALA . 78.2 Cg_exo -52.24 -28.56 34.56 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.491 2.794 . . . . 62.409999999999997 113.082 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.57 -41.73 81.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 45.229999999999997 110.75 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.68 -28.46 20.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.825 -0.625 . . . . 72.140000000000001 110.671 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.7 ' HB3' ' HA ' ' A' ' 43' ' ' PRO . . . -65.6 -15.46 62.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.766 -0.652 . . . . 70.450000000000003 111.266 178.531 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.2 m -60.59 -39.13 86.95 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.124 -0.489 . . . . 74.200000000000003 110.285 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.485 ' HB2' ' HB2' ' A' ' 52' ' ' ALA . 26.3 mmt 71.35 115.92 0.05 OUTLIER 'General case' 0 C--N 1.34 0.174 0 CA-C-O 121.559 0.695 . . . . 65.349999999999994 111.663 175.442 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -97.31 -0.28 46.79 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.93 -0.577 . . . . 71.340000000000003 110.941 176.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -124.72 -59.72 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.318 -0.401 . . . . 74.299999999999997 110.78 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.7 t -64.71 -29.37 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.69 -0.686 . . . . 74.420000000000002 111.552 -175.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 48' ' ' MET . . . -63.66 -19.08 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 55.229999999999997 111.711 -176.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.93 -45.07 96.5 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.04 -0.824 . . . . 54.439999999999998 111.04 174.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.518 ' HB3' ' HD1' ' A' ' 34' ' ' TYR . 10.0 mp0 -71.23 -37.93 71.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.233 0.54 . . . . 64.310000000000002 110.132 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.405 ' HB ' ' HA ' ' A' ' 52' ' ' ALA . 51.1 mm -65.07 -39.91 87.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.671 -0.695 . . . . 70.019999999999996 110.919 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.32 -33.32 72.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.424 -0.353 . . . . 71.519999999999996 111.348 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.21 84.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.031 0.443 . . . . 72.409999999999997 110.558 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.47 -25.09 50.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.078 -0.51 . . . . 52.340000000000003 111.078 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 tt -53.3 -58.57 6.62 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.126 -0.488 . . . . 74.530000000000001 110.869 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.51 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 29.4 m-85 -69.34 -28.28 66.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.451 -0.341 . . . . 63.420000000000002 111.61 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.435 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . . . -63.39 -48.16 79.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 61.420000000000002 110.264 177.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.402 HG11 ' CE2' ' A' ' 110' ' ' TYR . 91.7 t -71.26 -35.49 58.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.779 -0.646 . . . . 73.450000000000003 110.724 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -58.43 -49.19 78.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 63.0 110.735 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 60' ' ' TYR . 57.4 pttt -75.55 -27.54 58.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.63 -0.259 . . . . 72.140000000000001 111.195 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.455 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -53.47 -35.17 60.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.984 0.421 . . . . 65.040000000000006 111.13 177.45 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.1 t -62.01 -36.27 81.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.789 -0.642 . . . . 72.319999999999993 110.688 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.29 -38.79 55.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.385 -0.37 . . . . 75.129999999999995 110.511 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.29 -25.31 65.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 75.420000000000002 110.782 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.45 33.8 7.82 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 121.013 -0.613 . . . . 72.230000000000004 112.546 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.54 ' HB ' ' HA ' ' A' ' 6' ' ' GLU . 18.0 m -122.74 135.51 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.871 0.367 . . . . 54.520000000000003 110.516 178.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -152.67 176.36 11.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.073 -0.512 . . . . 72.200000000000003 110.237 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.469 HD13 HG13 ' A' ' 74' ' ' ILE . 2.1 pp -132.25 178.31 5.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.319 -0.4 . . . . 41.32 111.074 175.599 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -135.47 107.22 7.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.33 -0.396 . . . . 72.150000000000006 110.331 173.013 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.708 ' HB ' ' O ' ' A' ' 111' ' ' SER . 57.7 mt -89.69 125.54 42.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.337 -0.986 . . . . 71.519999999999996 108.337 174.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 2.0 pp 48.72 -154.46 0.09 Allowed 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.728 0.642 . . . . 63.409999999999997 111.05 -175.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -98.16 125.03 43.01 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.994 -0.441 . . . . 73.230000000000004 111.028 -177.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -61.25 136.69 58.14 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.3 -0.409 . . . . 32.439999999999998 110.513 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -100.93 -173.45 2.38 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.474 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.08 -26.05 47.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.37 -0.377 . . . . 45.539999999999999 111.922 -173.179 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -60.27 -36.12 90.0 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 121.191 -0.528 . . . . 33.450000000000003 113.02 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.33 -49.45 84.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.029 0.442 . . . . 72.239999999999995 111.371 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -94.87 10.73 34.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.019 -0.537 . . . . 72.25 111.993 -178.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -56.6 -48.99 76.23 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.014 0.435 . . . . 71.219999999999999 111.658 -173.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 9.5 m-90 -66.51 -27.62 67.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.211 -0.449 . . . . 74.420000000000002 111.121 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.76 -17.09 36.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.906 -0.588 . . . . 75.129999999999995 111.563 -175.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.2 p -81.39 -0.05 39.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.8 0.333 . . . . 62.439999999999998 111.466 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 107.51 91.04 2.18 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.387 -0.911 . . . . 70.430000000000007 112.981 175.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -72.61 -18.14 61.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.382 0.61 . . . . 74.5 109.737 173.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 -145.89 155.03 42.6 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.181 -1.044 . . . . 74.25 108.181 176.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -68.04 112.42 5.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.407 0.622 . . . . 74.430000000000007 110.685 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.432 ' HB1' HG23 ' A' ' 96' ' ' THR . . . -94.71 100.86 12.71 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.152 -0.931 . . . . 71.430000000000007 110.651 -177.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -137.86 36.61 2.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.342 0.591 . . . . 60.109999999999999 111.084 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -113.77 -77.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.748 -0.66 . . . . 54.439999999999998 109.658 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -178.53 -71.04 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.867 -0.606 . . . . 51.149999999999999 110.21 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -55.92 -39.02 71.05 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.892 -0.595 . . . . 75.530000000000001 112.013 -176.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.432 HG23 ' HB1' ' A' ' 91' ' ' ALA . 2.5 t -63.81 -42.51 97.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.287 -0.415 . . . . 61.219999999999999 111.574 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -68.49 -43.13 77.53 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.761 0.315 . . . . 75.25 110.671 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.481 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -58.63 -46.95 85.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.816 -0.629 . . . . 45.149999999999999 110.726 178.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -67.93 -35.8 79.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.292 -0.413 . . . . 62.310000000000002 110.847 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.66 -43.21 97.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.245 0.545 . . . . 51.409999999999997 110.586 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -67.79 -32.68 73.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.55 -0.75 . . . . 73.409999999999997 109.99 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 98' ' ' ALA . 90.3 mt -67.6 -41.7 83.62 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.842 -0.617 . . . . 74.109999999999999 110.307 174.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.581 ' HA ' ' CZ ' ' A' ' 106' ' ' TYR . 39.5 ttm -61.42 -37.44 83.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.26 0.552 . . . . 72.120000000000005 110.06 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.709 ' HA ' ' HG2' ' A' ' 107' ' ' ARG . 63.6 t30 -65.89 -32.16 73.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.247 -0.888 . . . . 70.230000000000004 111.048 179.098 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.97 -45.94 82.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.956 -0.565 . . . . 51.009999999999998 111.108 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.581 ' CZ ' ' HA ' ' A' ' 103' ' ' MET . 29.5 p90 -101.06 23.56 10.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.654 0.264 . . . . 63.439999999999998 111.67 -177.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.709 ' HG2' ' HA ' ' A' ' 104' ' ' ASN . 3.3 mmp_? -70.46 115.74 9.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.937 0.398 . . . . 73.420000000000002 111.206 179.114 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 64.6 84.19 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.168 -0.924 . . . . 70.109999999999999 113.646 172.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.616 ' H ' HD12 ' A' ' 109' ' ' ILE . 4.0 mp -66.85 -36.69 77.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 107.463 -1.31 . . . . 75.150000000000006 107.463 170.056 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.402 ' CE2' HG11 ' A' ' 62' ' ' VAL . 48.2 p90 -131.59 146.17 52.07 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.038 -1.437 . . . . 75.349999999999994 108.65 169.581 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.708 ' O ' ' HB ' ' A' ' 74' ' ' ILE . 6.8 p -137.63 142.34 41.21 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 110.13 -0.322 . . . . 62.119999999999997 110.13 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -154.88 141.5 18.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.125 0.488 . . . . 74.400000000000006 110.904 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -147.82 150.35 34.02 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.126 -1.064 . . . . 70.219999999999999 108.126 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.455 ' HD3' ' H ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -75.63 90.38 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.962 0.887 . . . . 74.209999999999994 112.153 -176.101 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.96 143.63 35.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 114.288 -1.324 . . . . 60.020000000000003 108.522 173.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -65.41 156.98 30.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.384 0.612 . . . . 75.319999999999993 112.002 -173.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.477 ' HB1' ' OD2' ' A' ' 12' ' ' ASP . . . -145.07 145.06 31.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.438 -0.801 . . . . 65.230000000000004 109.661 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -145.72 44.96 1.28 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.123 0.416 . . . . 70.230000000000004 112.123 -174.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.9 m -63.0 -33.02 74.52 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.071 -0.393 . . . . 54.219999999999999 111.168 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 64.59 56.56 16.43 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.913 -0.661 . . . . 73.400000000000006 113.294 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -112.11 179.08 4.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.43 -0.582 . . . . 71.349999999999994 109.43 176.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.19 -29.77 65.91 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.94 0.4 . . . . 63.509999999999998 111.159 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -66.47 -26.46 67.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.986 -0.552 . . . . 50.329999999999998 111.431 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.533 ' HA ' HG12 ' A' ' 127' ' ' VAL . 10.1 m120 -63.23 -33.3 75.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.328 . . . . 63.009999999999998 110.971 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.28 -40.93 96.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.003 -0.544 . . . . 73.530000000000001 109.772 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.484 ' O ' ' HB2' ' A' ' 130' ' ' LYS . 70.4 t80 -70.57 -49.79 44.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.064 -0.971 . . . . 74.109999999999999 110.987 -178.109 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' A' ' 124' ' ' ASN . 14.4 p -71.24 -34.8 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.413 -0.358 . . . . 63.439999999999998 111.769 -175.429 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.685 ' O ' ' HG2' ' A' ' 132' ' ' LYS . 8.8 t70 -59.48 -56.25 24.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.619 0.247 . . . . 71.099999999999994 111.244 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 26.9 ptm -66.82 -31.38 71.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.997 0.427 . . . . 74.109999999999999 110.408 -178.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 126' ' ' TYR . 4.0 tmtp? -62.37 -48.22 80.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.908 -0.587 . . . . 75.140000000000001 109.946 178.226 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.32 85.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 51.229999999999997 111.086 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.775 ' HB3' ' HB ' ' A' ' 137' ' ' ILE . 33.2 mmtp -61.3 -32.54 72.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.424 -0.353 . . . . 63.340000000000003 110.872 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.3 t -64.42 -34.91 79.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.416 -0.356 . . . . 72.519999999999996 110.519 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -76.75 -21.57 55.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.089 0.471 . . . . 72.129999999999995 110.818 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 95.8 mt -93.91 -2.84 52.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.961 -0.563 . . . . 73.409999999999997 110.277 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 77.17 23.96 67.36 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.627 -0.715 . . . . 72.099999999999994 112.815 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.775 ' HB ' ' HB3' ' A' ' 132' ' ' LYS . 50.7 mm -76.81 134.31 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.748 0.309 . . . . 75.329999999999998 110.34 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 138' ' ' ARG . 6.1 mpt_? -90.3 170.79 9.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.108 0.48 . . . . 70.209999999999994 111.153 -177.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 55.23 67.8 0.96 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.635 -1.166 . . . . 72.030000000000001 111.548 -176.709 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.41 HD21 ' HB2' ' A' ' 132' ' ' LYS . 85.1 mt -96.86 -38.68 9.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.705 -1.134 . . . . 53.329999999999998 108.249 168.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.458 ' H ' ' CD ' ' A' ' 141' ' ' GLU . 0.8 OUTLIER -88.4 13.68 11.27 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.533 -1.667 . . . . 73.409999999999997 110.371 -178.655 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -81.56 88.04 6.22 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.081 0.467 . . . . 74.239999999999995 110.102 -175.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -142.06 -68.14 0.38 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.684 -0.689 . . . . 75.420000000000002 109.366 174.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 63.05 -178.54 0.15 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.239 -0.891 . . . . 75.010000000000005 111.503 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 57.2 m80 -142.54 108.75 5.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.39 -0.368 . . . . 74.040000000000006 110.442 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -137.79 131.9 31.88 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.355 -0.384 . . . . 65.540000000000006 110.372 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 66.9 m80 . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.447 -0.787 . . . . 71.420000000000002 109.693 179.241 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.7 mtp . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.891 0.377 . . . . 72.25 110.588 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -87.02 45.1 1.23 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 122.027 0.918 . . . . 64.140000000000001 108.692 171.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 1.066 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 2.7 p-10 -149.52 121.84 8.43 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.433 -1.258 . . . . 74.239999999999995 108.594 -171.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -139.51 -24.69 0.85 Allowed 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.928 0.714 . . . . 71.329999999999998 112.928 -172.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.75 95.25 6.58 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 113.347 0.869 . . . . 70.299999999999997 113.347 -165.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 43.13 90.39 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.446 1.091 . . . . 73.030000000000001 112.445 169.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.672 ' HB2' HG22 ' A' ' 72' ' ' ILE . 22.4 m-85 -72.31 127.88 33.93 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.049 -0.523 . . . . 72.310000000000002 110.618 -172.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -110.42 100.17 9.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.027 -0.533 . . . . 64.310000000000002 109.737 -176.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.465 ' HB ' ' O ' ' A' ' 73' ' ' ARG . 76.8 t -96.8 112.14 28.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.008 -0.542 . . . . 74.230000000000004 110.193 -178.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.477 ' HA ' ' HB2' ' A' ' 75' ' ' LEU . 45.4 p90 -143.33 150.97 39.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.049 -0.523 . . . . 74.010000000000005 110.374 -178.142 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.465 HG23 HG21 ' A' ' 127' ' ' VAL . 37.9 m -146.91 86.2 1.64 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.406 0.622 . . . . 71.109999999999999 110.07 175.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -115.5 99.47 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.628 -0.714 . . . . 72.040000000000006 109.127 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.87 97.16 0.19 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.024 -0.83 . . . . 64.219999999999999 111.024 -176.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.518 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 10.1 p -159.67 18.24 0.16 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.829 0.347 . . . . 72.120000000000005 111.483 -175.265 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.804 ' HB3' ' HD1' ' A' ' 20' ' ' TYR . 22.1 p90 -145.11 131.0 19.15 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.303 0.573 . . . . 74.230000000000004 110.731 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.494 HG11 ' HE2' ' A' ' 132' ' ' LYS . 8.1 p -154.73 136.38 5.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.737 -0.665 . . . . 73.209999999999994 110.069 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.1 m120 59.24 28.57 17.93 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.343 -0.389 . . . . 64.299999999999997 111.328 -178.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.83 -2.85 86.94 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.895 -0.669 . . . . 34.229999999999997 112.4 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.498 ' HB3' HD22 ' A' ' 135' ' ' LEU . 51.3 mt-30 -94.42 132.7 38.78 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.833 -0.432 . . . . 72.409999999999997 109.833 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.804 ' HD1' ' HB3' ' A' ' 15' ' ' TYR . 86.9 t80 -131.6 134.12 45.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.95 0.405 . . . . 73.329999999999998 111.177 -174.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' ' 14' ' ' SER . . . -152.51 133.63 14.24 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.61 -0.885 . . . . 72.530000000000001 108.61 176.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 48.7 p-90 -82.54 144.3 30.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.51 0.672 . . . . 73.319999999999993 111.004 -173.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -146.98 168.54 21.26 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.045 -0.98 . . . . 74.439999999999998 109.21 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -145.74 136.67 24.54 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.026 0.441 . . . . 74.530000000000001 110.699 177.016 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.78 112.59 14.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.571 -0.741 . . . . 75.129999999999995 109.786 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.482 ' CE1' HD12 ' A' ' 55' ' ' ILE . 31.9 m-85 -94.85 97.79 10.27 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.291 0.567 . . . . 75.200000000000003 110.448 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 p -97.7 115.04 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 115.075 -0.966 . . . . 42.219999999999999 109.749 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -102.95 101.46 11.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.386 -0.825 . . . . 72.010000000000005 109.561 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 1.066 ' HB3' ' HB2' ' A' ' 3' ' ' ASP . 37.5 t0 45.61 49.22 11.12 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.366 -0.834 . . . . 73.420000000000002 111.403 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.78 -19.35 54.94 Favored Glycine 0 CA--C 1.52 0.379 0 CA-C-N 115.739 -0.664 . . . . 55.450000000000003 113.46 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -94.62 126.4 39.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.226 0.513 . . . . 72.430000000000007 110.747 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.2 t -87.46 98.26 7.25 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 N-CA-C 109.288 -0.634 . . . . 74.409999999999997 109.288 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -85.63 -30.55 23.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.266 -0.425 . . . . 73.129999999999995 110.701 -175.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -144.57 141.17 29.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.059 0.457 . . . . 72.209999999999994 111.596 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -152.57 120.52 6.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.76 -1.109 . . . . 54.210000000000001 108.165 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.609 ' HB3' HG13 ' A' ' 51' ' ' VAL . 1.9 t0 -160.73 165.79 29.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.808 0.337 . . . . 63.539999999999999 110.646 -175.43 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.67 155.57 40.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.104 -0.498 . . . . 65.200000000000003 110.195 -175.697 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.417 ' HB2' HG23 ' A' ' 51' ' ' VAL . 4.2 t0 -148.57 167.28 25.83 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.978 -0.379 . . . . 74.030000000000001 109.978 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 20.4 m -108.74 156.72 9.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.247 -0.433 . . . . 74.400000000000006 110.132 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.73 67.66 1.35 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.507 -0.854 . . . . 65.400000000000006 111.973 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' O ' ' HD3' ' A' ' 41' ' ' LYS . 14.8 tmtt? -84.46 88.65 7.3 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.511 -0.552 . . . . 62.420000000000002 109.511 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -141.96 152.36 61.79 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.633 -0.712 . . . . 71.519999999999996 109.677 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -63.14 -24.29 72.98 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.659 2.239 . . . . 71.340000000000003 112.126 175.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.49 -26.74 68.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.381 -0.372 . . . . 52.229999999999997 111.1 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.521 ' O ' ' HG3' ' A' ' 49' ' ' ARG . . . -91.5 7.32 41.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.067 -0.515 . . . . 74.430000000000007 111.45 -177.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . . . -47.88 -43.23 28.41 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.459 0.911 . . . . 75.439999999999998 113.459 -174.503 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 m -93.56 -28.97 15.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.914 0.387 . . . . 72.230000000000004 110.977 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.9 ptp -95.68 66.12 2.68 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.529 0.681 . . . . 73.230000000000004 111.415 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 80.2 mtt180 -115.42 126.44 54.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.549 -0.751 . . . . 75.519999999999996 109.824 176.339 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -68.71 -40.57 79.92 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.88 0.372 . . . . 75.109999999999999 110.359 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.609 HG13 ' HB3' ' A' ' 36' ' ' ASP . 47.7 t -60.58 -30.56 47.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.666 -0.697 . . . . 73.140000000000001 111.275 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.17 -23.09 61.92 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.278 -0.419 . . . . 74.329999999999998 111.987 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.0 -51.91 51.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 71.519999999999996 111.625 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -71.36 -35.58 71.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.798 0.332 . . . . 72.209999999999994 111.17 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.54 HG12 ' O ' ' A' ' 51' ' ' VAL . 46.2 mm -63.32 -30.38 49.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 73.340000000000003 111.14 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.12 -29.06 70.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 71.099999999999994 111.581 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.65 -27.53 63.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.055 0.455 . . . . 74.120000000000005 110.965 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.65 -21.86 54.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 64.319999999999993 110.771 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.93 -30.97 71.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.863 -0.608 . . . . 65.450000000000003 111.034 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -60.29 -35.86 76.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.540000000000006 111.178 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.94 -35.95 77.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 63.109999999999999 110.219 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.94 -39.07 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.781 -0.645 . . . . 41.329999999999998 110.151 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -63.79 -38.23 90.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.773 -0.649 . . . . 73.140000000000001 110.454 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 88.5 mttt -75.14 -29.15 60.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.627 -0.261 . . . . 65.200000000000003 111.06 176.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.78 -35.61 76.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.861 0.362 . . . . 33.240000000000002 111.105 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.508 ' HB2' ' CD1' ' A' ' 109' ' ' ILE . 33.1 t -62.63 -37.57 86.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 63.530000000000001 110.212 176.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 49.5 mt-30 -73.89 -48.3 31.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.643 -0.708 . . . . 50.119999999999997 111.161 -178.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.42 -26.06 65.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.043 -0.526 . . . . 65.319999999999993 111.314 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.8 10.55 58.78 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.646 -0.788 . . . . 51.210000000000001 112.857 177.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.9 m -86.7 150.5 3.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 110.237 -0.283 . . . . 70.230000000000004 110.237 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.498 ' HD2' ' O ' ' A' ' 108' ' ' GLY . 70.2 mmtt -116.24 144.22 44.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.378 -0.374 . . . . 70.420000000000002 110.767 -173.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.672 HG22 ' HB2' ' A' ' 7' ' ' TYR . 17.1 pt -127.7 154.05 37.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.297 -0.41 . . . . 71.0 110.887 178.227 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.465 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 4.4 mpt_? -97.65 135.06 40.0 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.254 -0.647 . . . . 62.240000000000002 109.254 172.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.702 HG22 ' HB2' ' A' ' 76' ' ' HIS . 35.1 mm -116.64 113.91 44.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.896 0.379 . . . . 71.120000000000005 110.738 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.477 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 1.1 tm? -81.99 96.03 7.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.463 -0.94 . . . . 53.130000000000003 108.463 173.136 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.702 ' HB2' HG22 ' A' ' 74' ' ' ILE . 13.2 t-80 -134.32 169.67 16.87 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.291 -0.413 . . . . 53.240000000000002 109.969 -173.458 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -66.17 147.09 53.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.419 -0.355 . . . . 70.209999999999994 110.41 176.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -88.72 -1.1 57.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.966 0.728 . . . . 72.219999999999999 112.966 -170.509 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.83 -20.01 26.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.091 -0.38 . . . . 74.439999999999998 111.031 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.423 ' O ' ' HD1' ' A' ' 84' ' ' TRP . . . -71.65 -36.92 61.97 Favored Glycine 0 CA--C 1.518 0.247 0 CA-C-N 115.986 -0.552 . . . . 72.329999999999998 113.276 -176.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.5 tt -57.06 -42.72 79.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 116.836 0.318 . . . . 74.420000000000002 111.759 -176.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.48 -22.14 54.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.954 0.407 . . . . 43.409999999999997 110.808 -178.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.437 ' HD2' ' HB3' ' A' ' 88' ' ' GLU . 4.4 t80 -73.72 -41.79 62.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.895 -0.593 . . . . 74.310000000000002 110.174 -177.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.423 ' HD1' ' O ' ' A' ' 80' ' ' GLY . 88.6 m95 -70.54 -46.32 63.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 62.32 111.526 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.37 -5.01 36.99 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.478 0.547 . . . . 71.120000000000005 112.478 -172.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.7 p -112.54 3.62 16.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.983 0.421 . . . . 71.510000000000005 110.456 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.85 99.08 0.43 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.905 -0.665 . . . . 74.519999999999996 112.356 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.437 ' HB3' ' HD2' ' A' ' 83' ' ' PHE . 10.0 pt-20 -72.89 -28.33 62.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.119 0.485 . . . . 63.200000000000003 110.73 176.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -97.65 -177.65 3.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.876 -0.602 . . . . 71.109999999999999 109.535 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 1.041 ' HA ' ' HE3' ' A' ' 90' ' ' LYS . 0.5 OUTLIER -67.03 114.77 6.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.196 0.522 . . . . 72.409999999999997 111.169 -173.728 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.2 133.67 35.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.629 -0.714 . . . . 65.109999999999999 111.319 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -73.11 154.32 40.43 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.7 -0.852 . . . . 73.129999999999995 108.7 173.252 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -47.68 -45.72 28.62 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.911 0.708 . . . . 71.430000000000007 112.911 -171.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -123.46 -43.63 2.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.195 -0.315 . . . . 74.25 111.258 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -52.66 -57.54 9.73 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.649 0.611 . . . . 74.150000000000006 112.649 -172.615 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.7 m -71.49 -37.82 71.23 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.854 -0.339 . . . . 65.140000000000001 111.14 -177.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -56.22 -41.48 75.73 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.992 0.425 . . . . 72.129999999999995 111.34 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.43 -41.79 55.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.02 -0.536 . . . . 73.109999999999999 110.956 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -63.49 -41.86 98.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.485 . . . . 61.219999999999999 111.354 -177.221 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.86 -33.12 74.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.022 0.439 . . . . 72.129999999999995 110.683 178.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.797 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 0.9 OUTLIER -70.74 -35.25 72.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.832 -0.622 . . . . 74.349999999999994 110.431 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.3 mt -101.05 13.23 35.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.997 -0.547 . . . . 50.030000000000001 111.293 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 21.0 ttt -70.55 -31.08 67.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.072 0.463 . . . . 64.400000000000006 109.949 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -58.56 -32.15 68.64 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.206 -0.906 . . . . 63.009999999999998 110.902 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.02 -47.56 84.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.637 -0.711 . . . . 74.209999999999994 111.11 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -84.58 -39.0 19.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 53.409999999999997 110.985 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -68.1 114.75 6.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.023 0.439 . . . . 73.099999999999994 110.459 -178.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.498 ' O ' ' HD2' ' A' ' 71' ' ' LYS . . . -152.68 17.52 0.75 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.932 -0.651 . . . . 72.040000000000006 111.613 176.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.508 ' CD1' ' HB2' ' A' ' 66' ' ' SER . 9.3 mt -74.44 -39.63 48.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.129 0.49 . . . . 74.209999999999994 110.435 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.576 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 32.1 p90 -140.15 149.02 42.48 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.479 -0.782 . . . . 74.129999999999995 110.899 -174.143 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.3 m -149.7 164.75 34.37 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.531 -0.758 . . . . 74.420000000000002 109.39 177.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -134.7 142.17 46.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.932 0.396 . . . . 74.109999999999999 110.525 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -142.52 133.92 26.36 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.936 -1.135 . . . . 64.319999999999993 107.936 178.287 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -71.56 89.0 0.95 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.153 0.501 . . . . 73.129999999999995 110.835 -174.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 18.2 t -125.49 100.11 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.621 -0.718 . . . . 54.32 110.101 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -78.61 84.39 4.72 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.915 -0.772 . . . . 65.239999999999995 108.915 175.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -148.34 -52.01 0.18 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.301 -0.863 . . . . 44.43 109.73 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.32 12.69 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.395 0.617 . . . . 73.040000000000006 109.928 174.098 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.8 m -98.23 11.36 38.11 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.264 -0.88 . . . . 64.329999999999998 110.205 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -137.07 32.53 2.42 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.585 -0.734 . . . . 33.509999999999998 111.52 178.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -92.25 166.77 12.44 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.789 -0.448 . . . . 62.130000000000003 109.789 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -55.89 -34.45 65.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.896 0.379 . . . . 42.0 111.623 -177.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -66.9 -26.27 66.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.054 -0.521 . . . . 72.340000000000003 111.513 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.3 -38.05 89.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.653 0.263 . . . . 74.540000000000006 110.7 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.81 -29.98 66.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 72.439999999999998 110.345 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -60.36 -50.42 73.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 51.409999999999997 110.703 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.465 HG21 HG23 ' A' ' 11' ' ' THR . 11.8 p -76.46 -31.53 20.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.955 0.407 . . . . 75.420000000000002 110.64 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 132' ' ' LYS . 34.2 t70 -57.76 -49.79 75.4 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.05 -0.523 . . . . 75.230000000000004 110.369 177.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.442 ' HA ' ' HB3' ' A' ' 132' ' ' LYS . 27.6 ptt? -71.54 -30.25 65.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.361 -0.381 . . . . 73.519999999999996 110.928 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -58.65 -53.48 57.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.41 . . . . 71.430000000000007 110.057 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.14 -31.89 68.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.239 0.543 . . . . 54.420000000000002 110.519 177.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.669 ' HG2' ' HB ' ' A' ' 137' ' ' ILE . 37.0 ttmt -57.53 -35.19 69.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.345 -0.843 . . . . 72.239999999999995 111.363 178.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.6 m -65.93 -32.53 74.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 72.430000000000007 110.809 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.46 -6.95 55.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.082 -0.508 . . . . 73.040000000000006 110.855 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 19' ' ' GLN . 83.6 mt -97.14 -5.57 36.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.979 -0.555 . . . . 72.439999999999998 110.602 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 100.68 -6.76 57.38 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.733 -0.746 . . . . 53.100000000000001 112.556 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.669 ' HB ' ' HG2' ' A' ' 132' ' ' LYS . 58.4 mt -85.66 119.99 35.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.433 -0.58 . . . . 53.439999999999998 109.433 178.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 26.6 ttt85 68.68 53.55 0.53 Allowed 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 122.01 0.909 . . . . 75.019999999999996 109.256 -174.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.54 156.92 44.75 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.112 -0.949 . . . . 75.040000000000006 109.568 177.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' LEU . . . . . 0.451 HD13 ' O ' ' A' ' 140' ' ' LEU . 2.9 tm? -75.01 -33.36 61.79 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.152 0.427 . . . . 74.209999999999994 112.152 -171.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -101.26 16.23 26.2 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.607 -0.437 . . . . 75.540000000000006 111.822 -169.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -61.59 135.01 57.49 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.133 -0.691 . . . . 72.219999999999999 109.133 173.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 5.7 t60 63.27 -105.16 0.15 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 107.992 -1.114 . . . . 74.430000000000007 107.992 -170.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 74.2 m80 26.04 71.99 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.061 1.134 . . . . 72.450000000000003 114.061 173.569 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -109.62 5.87 23.37 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.853 -0.425 . . . . 71.129999999999995 109.853 175.529 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 13.0 t60 69.65 -71.7 0.12 Allowed 'General case' 0 N--CA 1.465 0.31 0 O-C-N 124.12 0.888 . . . . 71.230000000000004 110.61 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.315 -0.85 . . . . 72.230000000000004 109.404 -179.957 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 110.56 -0.163 . . . . 75.099999999999994 110.56 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -107.48 87.62 2.54 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.65 -0.87 . . . . 75.519999999999996 108.65 172.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -124.05 98.63 5.87 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.385 -0.825 . . . . 73.310000000000002 110.073 -174.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 4' ' ' ARG . 56.5 mtt85 -89.92 -25.86 20.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.586 -0.733 . . . . 54.009999999999998 111.324 -178.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 p -105.96 121.48 44.19 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.587 -0.733 . . . . 63.109999999999999 111.013 -177.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.637 ' O ' ' HE2' ' A' ' 28' ' ' LYS . 32.5 tt0 68.2 106.8 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 O-C-N 124.203 0.939 . . . . 72.420000000000002 110.904 -177.571 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -85.59 148.02 26.12 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 108.184 -1.043 . . . . 72.109999999999999 108.184 167.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.73 ' OD2' ' HB2' ' A' ' 26' ' ' PHE . 1.5 p-10 -78.81 104.52 9.49 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.492 0.663 . . . . 74.450000000000003 111.153 -174.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.693 HG21 HD13 ' A' ' 72' ' ' ILE . 55.3 t -130.24 130.81 65.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.456 -0.793 . . . . 52.409999999999997 111.033 -178.017 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -153.41 137.72 16.62 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.504 -0.924 . . . . 74.040000000000006 108.504 174.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.9 t -148.64 154.33 39.55 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.55 -0.46 . . . . 44.109999999999999 111.475 -174.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.518 ' HA ' ' O ' ' A' ' 115' ' ' VAL . 0.0 OUTLIER -103.6 173.47 6.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.798 -0.816 . . . . 61.32 108.798 172.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -168.82 39.19 0.21 Allowed Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.928 -0.653 . . . . 52.32 111.534 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.9 m -127.6 113.17 15.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.93 0.395 . . . . 75.540000000000006 111.293 -176.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -58.15 122.2 12.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.698 -0.683 . . . . 74.319999999999993 110.326 176.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.9 p -102.94 127.05 57.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.96 0.409 . . . . 73.519999999999996 110.811 -176.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.9 m120 62.92 30.94 16.48 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.793 -0.64 . . . . 74.200000000000003 111.356 179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.14 10.06 85.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.823 -0.704 . . . . 70.430000000000007 113.53 173.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -127.08 155.12 43.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.995 0.398 . . . . 75.129999999999995 110.29 178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -97.06 134.93 39.76 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.519 0.676 . . . . 62.210000000000001 111.938 -175.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.88 167.2 24.52 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 107.495 -1.298 . . . . 54.109999999999999 107.495 173.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.6 p-90 -139.77 130.05 25.31 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.144 -0.622 . . . . 72.230000000000004 110.731 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.731 ' HB1' ' HB ' ' A' ' 127' ' ' VAL . . . -124.68 135.91 53.45 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.672 -0.695 . . . . 52.25 110.113 176.033 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -128.23 139.46 52.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.085 0.469 . . . . 73.219999999999999 109.99 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.793 ' HB2' HG11 ' A' ' 127' ' ' VAL . . . -133.23 154.15 50.91 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.906 -0.588 . . . . 64.420000000000002 110.255 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.73 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -128.15 97.79 4.89 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.627 0.727 . . . . 55.450000000000003 110.244 175.463 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.726 ' HA ' ' HA ' ' A' ' 32' ' ' VAL . 2.7 p -109.98 125.66 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 114.884 -1.053 . . . . 71.530000000000001 110.717 -174.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.687 ' HB2' ' HB3' ' A' ' 8' ' ' ASP . 23.7 tptp -126.78 122.98 36.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.848 -0.614 . . . . 61.240000000000002 109.952 -176.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.443 ' OD1' ' HG3' ' A' ' 28' ' ' LYS . 4.2 m-20 62.47 35.59 14.63 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.624 0.601 . . . . 51.43 112.624 172.161 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.53 1.74 58.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.24 -0.981 . . . . 55.509999999999998 114.295 172.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.61 ' HE2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -153.25 151.64 30.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.87 0.835 . . . . 75.439999999999998 111.717 173.812 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.726 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 14.9 p -84.14 151.37 3.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.603 -0.726 . . . . 73.209999999999994 110.65 -176.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.676 ' HB2' ' HD2' ' A' ' 26' ' ' PHE . 37.6 m170 -77.44 -60.11 2.5 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.841 -0.429 . . . . 74.530000000000001 109.841 174.226 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.41 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 98.7 m-85 -144.76 154.04 42.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 73.319999999999993 109.652 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -124.71 120.99 33.38 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.245 -0.28 . . . . 73.129999999999995 110.245 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -152.61 159.36 43.23 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.06 -0.348 . . . . 64.430000000000007 110.06 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -176.6 156.04 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.275 -0.639 . . . . 72.129999999999995 109.275 -175.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -156.76 175.94 13.39 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.254 -0.276 . . . . 71.450000000000003 110.254 -178.519 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.9 m -98.55 130.19 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-O 121.229 0.538 . . . . 64.129999999999995 111.222 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.84 -165.98 53.54 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.72 -0.673 . . . . 41.310000000000002 112.344 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -138.58 109.41 6.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.804 0.335 . . . . 72.239999999999995 110.736 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.754 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 17.9 m120 -129.41 142.74 46.3 Favored Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 109.12 -0.696 . . . . 75.329999999999998 109.12 175.292 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.08 -50.4 11.45 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 122.86 2.373 . . . . 74.299999999999997 113.357 -173.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.69 -33.26 17.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.69 0.281 . . . . 72.049999999999997 111.077 -176.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.754 ' HB3' ' HB2' ' A' ' 42' ' ' ASN . . . -67.95 -36.14 79.59 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.203 0.446 . . . . 71.400000000000006 112.203 -176.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.02 -16.6 60.6 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.06 0.392 . . . . 62.219999999999999 112.06 -175.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 p -120.02 -62.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.851 -0.34 . . . . 72.129999999999995 111.509 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.424 ' HG2' ' HG3' ' A' ' 49' ' ' ARG . 49.2 ttm 44.16 -85.44 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 125.613 1.565 . . . . 72.120000000000005 112.576 178.107 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.424 ' HG3' ' HG2' ' A' ' 48' ' ' MET . 51.4 mtt180 -148.03 13.43 1.0 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.455 -1.248 . . . . 73.409999999999997 109.413 -176.366 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -82.36 176.51 9.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.082 -0.963 . . . . 73.439999999999998 110.318 -175.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.526 ' O ' HG12 ' A' ' 55' ' ' ILE . 45.9 t -62.81 -35.97 73.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.377 0.608 . . . . 61.240000000000002 109.467 177.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.709 ' HA ' ' HB ' ' A' ' 55' ' ' ILE . . . -58.59 -16.03 14.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.097 -0.956 . . . . 62.409999999999997 112.027 177.362 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.52 -53.38 39.19 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.708 -0.758 . . . . 51.140000000000001 111.844 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.4 -31.19 65.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.954 0.407 . . . . 72.439999999999998 110.412 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.709 ' HB ' ' HA ' ' A' ' 52' ' ' ALA . 37.7 mm -64.44 -29.58 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.896 -0.593 . . . . 65.219999999999999 110.966 177.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.67 -24.62 22.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.371 . . . . 74.010000000000005 111.581 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.58 -24.74 67.7 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.742 0.306 . . . . 72.420000000000002 110.83 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -68.93 -26.83 65.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.48 -0.327 . . . . 75.420000000000002 110.343 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.6 tp -67.26 -39.28 86.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.328 0.585 . . . . 75.129999999999995 109.501 176.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.487 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 97.5 m-85 -73.8 -26.37 60.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.535 -0.757 . . . . 75.209999999999994 110.13 175.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.2 -34.47 78.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.304 -0.407 . . . . 74.299999999999997 110.049 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 58' ' ' ALA . 62.0 t -69.57 -37.18 73.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.117 0.484 . . . . 62.229999999999997 109.938 174.043 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.487 ' HB2' ' HA ' ' A' ' 60' ' ' TYR . 6.0 tmtt? -56.41 -41.75 76.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.411 -0.813 . . . . 73.030000000000001 109.748 174.762 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -71.0 -45.87 63.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.709 -0.678 . . . . 73.420000000000002 110.791 174.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.05 -41.62 64.96 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.058 -0.519 . . . . 43.399999999999999 111.993 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.475 ' HA ' HG12 ' A' ' 109' ' ' ILE . 34.5 t -52.22 -49.71 63.4 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.053 -0.521 . . . . 61.350000000000001 110.926 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -83.63 -29.13 27.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.921 -0.581 . . . . 74.540000000000006 111.461 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.3 tp -72.74 -26.55 61.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.393 . . . . 64.319999999999993 111.027 -176.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.88 14.61 31.07 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.563 -0.827 . . . . 65.230000000000004 112.932 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.4 m -112.43 147.41 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.753 0.311 . . . . 61.240000000000002 110.749 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.583 ' HA ' HG23 ' A' ' 109' ' ' ILE . 80.4 mttt -129.69 178.37 6.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.168 -0.469 . . . . 71.310000000000002 110.318 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.693 HD13 HG21 ' A' ' 9' ' ' VAL . 2.7 pp -109.31 167.18 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 110.121 -0.325 . . . . 70.219999999999999 110.121 178.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.6 ttt85 -76.79 102.8 6.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.127 0.489 . . . . 74.230000000000004 109.914 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.539 ' HB ' ' HB3' ' A' ' 111' ' ' SER . 35.5 pt -87.34 139.44 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-N 115.588 -0.733 . . . . 74.319999999999993 111.601 -175.008 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -106.87 28.32 8.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.737 -0.665 . . . . 75.519999999999996 109.377 175.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -52.57 -46.51 66.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.28 -0.873 . . . . 73.010000000000005 112.642 -172.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.541 ' OD1' ' HD1' ' A' ' 78' ' ' TYR . 12.1 t70 59.58 -85.23 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.679 0.612 . . . . 55.25 110.181 -173.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.541 ' HD1' ' OD1' ' A' ' 77' ' ' ASP . 4.5 p90 -165.19 -26.26 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.828 0.347 . . . . 74.319999999999993 110.353 172.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -79.72 -12.99 59.77 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.431 0.53 . . . . 62.32 112.431 -174.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -57.78 -15.6 20.15 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 114.252 0.461 . . . . 75.420000000000002 114.252 -176.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.405 ' H ' HG13 ' A' ' 81' ' ' ILE . 2.8 pp -75.5 -19.95 15.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 O-C-N 122.237 -0.567 . . . . 44.439999999999998 111.895 179.128 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.06 11.99 4.64 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.323 0.86 . . . . 74.109999999999999 113.323 -169.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.424 ' HE2' ' HA ' ' A' ' 113' ' ' GLU . 54.4 p90 -133.71 -8.51 2.8 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.16 -0.616 . . . . 71.0 111.227 173.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.711 ' HZ2' ' H ' ' A' ' 112' ' ' PHE . 33.0 m0 -75.34 -68.91 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.075 0.464 . . . . 73.340000000000003 110.926 175.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.535 ' HB1' ' HB1' ' A' ' 100' ' ' ALA . . . -65.82 -29.95 70.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.461 -0.79 . . . . 74.5 111.604 -171.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.2 p -105.99 10.08 32.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.094 -0.503 . . . . 55.219999999999999 111.805 -178.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 83' ' ' PHE . . . -110.54 -68.35 0.57 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.439 -0.886 . . . . 61.350000000000001 112.607 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.65 -37.12 85.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.991 0.424 . . . . 72.340000000000003 110.676 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -126.0 158.39 35.44 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.06 -0.718 . . . . 74.400000000000006 109.06 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -89.38 112.18 23.23 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.898 0.38 . . . . 75.409999999999997 110.246 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.505 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -106.83 109.79 21.78 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.803 -0.635 . . . . 73.319999999999993 109.901 177.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -154.02 -63.57 0.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.023 -0.535 . . . . 73.209999999999994 110.659 -174.264 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -90.7 83.01 5.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.168 -0.469 . . . . 75.129999999999995 112.178 -174.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 56.36 -86.56 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.807 1.04 . . . . 70.0 113.807 169.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -58.49 -29.94 66.63 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.14 0.576 . . . . 71.409999999999997 111.832 -171.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.505 ' HB ' ' HA ' ' A' ' 91' ' ' ALA . 24.6 p -58.45 -28.57 65.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.683 -0.69 . . . . 72.109999999999999 111.649 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -68.61 -38.91 80.96 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.466 -0.334 . . . . 71.209999999999994 111.319 -178.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.34 -35.7 81.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.957 0.408 . . . . 63.219999999999999 110.383 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -79.72 -30.93 41.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.862 -0.608 . . . . 72.200000000000003 110.935 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.627 ' O ' ' HG2' ' A' ' 103' ' ' MET . . . -69.78 -45.46 67.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.06 -0.518 . . . . 71.299999999999997 111.077 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -74.57 -9.61 58.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.923 0.392 . . . . 62.420000000000002 110.553 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 58.4 tp -69.41 -32.24 71.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.044 -0.525 . . . . 73.109999999999999 110.411 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.627 ' HG2' ' O ' ' A' ' 100' ' ' ALA . 21.7 ptp -69.56 -26.66 64.59 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.138 0.494 . . . . 63.119999999999997 109.997 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.641 ' HA ' ' HD3' ' A' ' 107' ' ' ARG . 63.3 t30 -66.77 -23.1 66.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.569 -0.741 . . . . 73.030000000000001 111.014 -175.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.56 -31.14 65.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 70.230000000000004 111.315 176.569 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -79.32 -18.72 51.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 75.099999999999994 110.317 -178.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.641 ' HD3' ' HA ' ' A' ' 104' ' ' ASN . 11.8 mpt_? -78.93 159.61 27.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.036 -0.529 . . . . 62.229999999999997 110.109 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 136.25 -49.72 0.87 Allowed Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.99 -0.844 . . . . 72.329999999999998 110.99 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.583 HG23 ' HA ' ' A' ' 71' ' ' LYS . 4.1 mp -80.28 -39.58 19.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.468 -0.938 . . . . 75.099999999999994 108.468 172.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.67 147.29 41.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.871 -1.059 . . . . 72.329999999999998 109.522 175.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.539 ' HB3' ' HB ' ' A' ' 74' ' ' ILE . 5.7 t -161.41 140.21 9.83 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.415 -0.587 . . . . 71.219999999999999 109.415 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.711 ' H ' ' HZ2' ' A' ' 84' ' ' TRP . 88.2 m-85 -126.29 171.56 10.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.118 0.485 . . . . 53.549999999999997 111.304 -174.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.424 ' HA ' ' HE2' ' A' ' 83' ' ' PHE . 0.6 OUTLIER -147.41 152.06 37.5 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.12 -1.437 . . . . 63.140000000000001 107.12 172.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.402 ' HG2' ' OE2' ' A' ' 113' ' ' GLU . 17.5 ptpt -79.35 81.62 5.6 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.896 0.855 . . . . 73.329999999999998 110.833 -176.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 12' ' ' ASP . 60.6 t -100.64 139.44 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.99 -1.005 . . . . 63.409999999999997 110.715 -176.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -142.43 124.21 15.12 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.12 -0.696 . . . . 75.5 109.12 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.43 132.61 43.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.794 0.331 . . . . 72.019999999999996 110.325 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -109.36 -37.96 5.61 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.209 -0.45 . . . . 75.329999999999998 111.108 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 17.7 m -72.98 -32.66 65.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.377 -0.374 . . . . 75.430000000000007 111.451 -174.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 135.29 90.09 0.32 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.254 -0.974 . . . . 64.439999999999998 113.351 175.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -116.74 131.17 57.02 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.364 -0.236 . . . . 62.100000000000001 110.364 173.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -63.19 -41.76 99.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.941 0.4 . . . . 74.140000000000001 110.788 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -60.43 -39.63 88.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.537 -0.756 . . . . 73.409999999999997 110.165 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -69.26 -48.05 62.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.58 -0.736 . . . . 71.25 110.841 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -67.48 -35.96 80.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.028 -0.533 . . . . 72.209999999999994 111.069 -175.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -56.11 25.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 73.420000000000002 110.766 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.793 HG11 ' HB2' ' A' ' 25' ' ' ALA . 30.6 m -68.69 -30.9 48.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.795 0.331 . . . . 61.329999999999998 110.794 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.23 -45.55 92.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.772 -0.649 . . . . 73.019999999999996 109.864 174.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 46.6 ttm -64.4 -40.44 95.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.455 -0.793 . . . . 71.239999999999995 110.777 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -65.35 -42.83 92.42 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.375 -0.375 . . . . 72.340000000000003 110.077 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -63.37 -42.74 98.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.359 -0.382 . . . . 61.43 110.652 177.782 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.611 ' HA ' HD12 ' A' ' 135' ' ' LEU . 83.1 mttt -64.64 -35.3 80.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.219 -0.446 . . . . 73.030000000000001 111.02 177.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 48.8 m -61.24 -39.42 90.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.633 0.254 . . . . 62.450000000000003 110.447 177.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.5 -21.32 60.44 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.047 -0.524 . . . . 41.219999999999999 110.954 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 132' ' ' LYS . 66.3 mt -80.28 -16.44 54.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.274 0.559 . . . . 64.200000000000003 109.607 177.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.31 15.9 54.5 Favored Glycine 0 N--CA 1.439 -1.104 0 CA-C-N 115.303 -0.862 . . . . 53.140000000000001 111.576 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.508 ' HB ' ' HB3' ' A' ' 132' ' ' LYS . 50.7 mm -78.19 93.74 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.118 0.485 . . . . 62.340000000000003 110.781 -177.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.49 -164.45 1.57 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.788 -0.819 . . . . 73.040000000000006 108.788 174.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -71.23 152.5 43.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 73.219999999999999 110.336 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -87.94 -20.16 26.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.091 -0.504 . . . . 65.439999999999998 111.765 -172.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -70.28 -31.76 69.26 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.422 -0.584 . . . . 70.439999999999998 109.422 177.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -61.87 112.89 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.324 -0.853 . . . . 71.219999999999999 109.618 166.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -78.77 164.77 24.26 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.079 -0.51 . . . . 74.129999999999995 110.741 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -65.25 107.53 1.62 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.118 -0.697 . . . . 74.439999999999998 109.118 174.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -74.9 115.46 14.53 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.952 -0.567 . . . . 73.400000000000006 111.444 -170.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -68.23 137.9 55.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.531 -0.759 . . . . 63.420000000000002 109.73 175.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 60.9 m170 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.629 -0.701 . . . . 71.219999999999999 110.186 177.939 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.6 mtt . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 109.552 -0.536 . . . . 71.519999999999996 109.552 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -134.51 -89.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.011 0.374 . . . . 60.409999999999997 112.011 -173.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -166.71 129.01 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.563 -0.903 . . . . 63.219999999999999 108.563 -173.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -121.54 10.93 10.52 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.029 -0.532 . . . . 62.229999999999997 110.119 -176.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.39 127.53 36.22 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.881 -0.6 . . . . 74.430000000000007 112.034 -168.192 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -70.97 127.36 32.33 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.651 -0.87 . . . . 74.200000000000003 108.651 170.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.585 ' CE1' ' HG2' ' A' ' 28' ' ' LYS . 42.7 m-85 -91.28 133.59 35.29 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.537 0.569 . . . . 74.349999999999994 112.537 -166.687 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -85.88 89.96 7.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.89 -1.05 . . . . 55.520000000000003 109.005 171.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.965 ' HB ' HG22 ' A' ' 74' ' ' ILE . 61.0 t -93.0 134.16 31.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 116.301 -0.409 . . . . 42.210000000000001 109.917 -172.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -111.29 141.91 44.2 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.579 0.704 . . . . 70.040000000000006 112.044 -173.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.713 HG22 ' H ' ' A' ' 12' ' ' ASP . 3.6 m -143.91 -171.42 3.54 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.76 -1.57 . . . . 71.239999999999995 106.76 172.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.713 ' H ' HG22 ' A' ' 11' ' ' THR . 24.8 t70 -81.47 153.11 27.03 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.081 -0.711 . . . . 73.120000000000005 109.081 173.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.78 -32.69 78.39 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.057 -0.592 . . . . 74.329999999999998 114.271 -173.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 p -143.48 172.52 12.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.421 0.61 . . . . 74.209999999999994 111.945 -172.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -73.84 131.81 41.9 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.006 -0.739 . . . . 73.299999999999997 109.006 175.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.42 HG21 ' HE3' ' A' ' 132' ' ' LYS . 9.3 p -99.24 131.0 47.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.192 0.52 . . . . 72.099999999999994 111.047 -173.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 18.9 m120 57.99 26.97 14.13 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.467 -0.788 . . . . 74.400000000000006 111.599 -177.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.77 3.0 90.43 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.026 -0.607 . . . . 53.130000000000003 113.044 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.575 ' HB3' HD22 ' A' ' 135' ' ' LEU . 18.7 mm-40 -103.12 143.24 32.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.042 0.449 . . . . 60.149999999999999 110.872 -178.718 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -128.33 146.38 50.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.812 -0.631 . . . . 73.239999999999995 111.117 -177.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 38' ' ' ASP . . . -152.69 166.14 33.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.523 -0.762 . . . . 72.0 109.238 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -98.65 130.75 45.17 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.512 -0.475 . . . . 63.420000000000002 109.842 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.35 145.43 6.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.161 -0.472 . . . . 73.319999999999993 110.905 -177.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.419 ' HB2' ' CG1' ' A' ' 9' ' ' VAL . 44.2 p90 -167.28 140.23 3.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.941 -0.572 . . . . 73.140000000000001 109.698 174.006 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.477 ' HB2' ' HB3' ' A' ' 35' ' ' GLU . . . -108.51 116.7 32.46 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.295 -0.411 . . . . 74.409999999999997 110.269 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -84.59 107.89 17.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.864 0.84 . . . . 72.450000000000003 111.313 -176.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 p -92.65 129.89 42.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 114.781 -1.1 . . . . 71.019999999999996 110.462 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.585 ' HG2' ' CE1' ' A' ' 7' ' ' TYR . 25.6 mtpp -134.6 127.57 31.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.9 -0.591 . . . . 70.329999999999998 110.223 -176.751 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.0 t70 63.98 24.88 13.74 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.752 -0.658 . . . . 74.129999999999995 111.099 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.62 -15.82 61.4 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.734 -0.746 . . . . 54.439999999999998 113.091 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -112.74 161.13 17.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.059 0.457 . . . . 73.439999999999998 110.75 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -106.67 126.51 62.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.092 -0.504 . . . . 73.040000000000006 109.939 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 -83.91 -59.02 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.5 -0.318 . . . . 63.109999999999999 111.19 -177.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -139.66 145.91 39.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.644 0.259 . . . . 73.219999999999999 111.326 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' HB3' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -139.83 132.92 29.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.775 -0.648 . . . . 70.540000000000006 110.489 174.628 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.561 ' HB2' ' HB ' ' A' ' 51' ' ' VAL . 34.3 t0 -162.42 171.32 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.817 -0.438 . . . . 72.239999999999995 109.817 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -148.94 152.37 36.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.361 -0.381 . . . . 71.109999999999999 110.524 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.47 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 22.6 t70 -147.28 157.2 43.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.473 -0.33 . . . . 64.430000000000007 110.4 176.778 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.7 m -106.9 130.34 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-O 121.288 0.565 . . . . 73.120000000000005 111.674 -176.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.63 -164.03 28.88 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.89 -0.671 . . . . 70.030000000000001 112.333 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -141.13 112.52 7.45 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 122.173 0.189 . . . . 75.019999999999996 110.782 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.582 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 87.5 m-20 -130.13 142.07 44.11 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-O 120.735 0.302 . . . . 62.299999999999997 110.369 176.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 42' ' ' ASN . 6.8 Cg_exo -75.77 -55.55 0.07 OUTLIER 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 123.174 2.583 . . . . 63.030000000000001 112.943 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.21 -24.51 47.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.18 0.514 . . . . 73.129999999999995 110.986 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.582 ' HB3' ' HB2' ' A' ' 42' ' ' ASN . . . -86.79 8.93 20.69 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.813 -0.631 . . . . 62.119999999999997 111.414 -177.843 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.59 -27.27 2.68 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.874 0.694 . . . . 71.219999999999999 112.874 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.414 HG22 ' HA2' ' A' ' 53' ' ' GLY . 16.0 p -80.87 -59.61 2.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.96 0.41 . . . . 74.019999999999996 110.179 174.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 2.5 tpt 68.14 -68.54 0.17 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.692 1.197 . . . . 72.140000000000001 112.435 170.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 49' ' ' ARG . 13.9 mtm180 -104.95 -85.59 0.48 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.356 -0.384 . . . . 75.109999999999999 111.219 -172.14 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -165.49 -53.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.617 0.246 . . . . 64.310000000000002 110.995 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.561 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 36.9 t -73.88 -39.8 52.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.864 0.364 . . . . 72.219999999999999 110.076 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.64 -23.61 52.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.975 -0.557 . . . . 71.329999999999998 111.083 174.038 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.414 ' HA2' HG22 ' A' ' 47' ' ' THR . . . -62.34 -37.13 94.09 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.775 -0.726 . . . . 34.140000000000001 111.701 175.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -72.24 -36.93 69.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.186 0.517 . . . . 73.329999999999998 109.795 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.19 -38.18 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.401 -0.818 . . . . 73.450000000000003 110.969 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.31 -35.73 67.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.33 -0.395 . . . . 41.399999999999999 111.215 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.89 -39.72 42.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 73.099999999999994 110.8 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.69 -31.22 72.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.034 -0.53 . . . . 73.510000000000005 110.926 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.2 tp -63.57 -34.32 77.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.113 -0.494 . . . . 63.219999999999999 110.68 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -68.04 -31.01 70.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 73.299999999999997 109.784 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.77 -31.09 71.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 63.310000000000002 110.183 175.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 110' ' ' TYR . 43.5 t -72.15 -36.36 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.964 -0.562 . . . . 54.109999999999999 109.965 176.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.419 ' HD3' ' C ' ' A' ' 63' ' ' LYS . 1.2 tmtp? -61.83 -40.29 94.76 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.263 -0.643 . . . . 75.239999999999995 109.263 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -62.69 -31.51 72.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.579 -0.737 . . . . 75.409999999999997 111.379 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.98 -28.43 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.093 0.405 . . . . 74.140000000000001 112.093 -176.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.1 p -61.36 -34.62 75.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.864 0.364 . . . . 71.129999999999995 110.779 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -70.01 -38.29 75.91 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.916 -0.584 . . . . 64.329999999999998 110.932 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.7 mp -79.19 -25.22 42.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.11 -0.496 . . . . 73.109999999999999 110.763 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.76 25.7 31.67 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.888 -0.673 . . . . 74.310000000000002 112.065 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.1 m -112.03 143.12 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.808 0.337 . . . . 74.120000000000005 110.154 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -119.59 153.8 34.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.351 -0.386 . . . . 72.140000000000001 110.089 -177.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.777 HD11 ' HD1' ' A' ' 110' ' ' TYR . 2.7 pp -114.52 146.15 19.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.502 -0.555 . . . . 74.019999999999996 109.502 177.863 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -112.3 102.6 10.74 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.881 0.372 . . . . 65.030000000000001 111.469 -175.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.965 HG22 ' HB ' ' A' ' 9' ' ' VAL . 2.3 pp -84.95 128.32 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 N-CA-C 108.763 -0.828 . . . . 71.140000000000001 108.763 171.587 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 76' ' ' HIS . 96.1 mt 60.26 26.76 16.25 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.873 0.368 . . . . 52.25 110.583 -176.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.481 ' HB2' ' O ' ' A' ' 75' ' ' LEU . 2.8 m-70 74.78 -176.65 0.15 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.416 -0.811 . . . . 74.519999999999996 111.664 -177.838 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -86.65 113.15 22.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.885 -0.413 . . . . 74.140000000000001 109.885 -174.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.559 ' HB3' ' HG3' ' A' ' 113' ' ' GLU . 10.1 t80 -115.1 156.39 25.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.242 -0.435 . . . . 72.540000000000006 110.942 -173.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.61 -13.93 50.22 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.138 -0.483 . . . . 75.030000000000001 112.188 -176.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.608 ' HA2' ' HD2' ' A' ' 83' ' ' PHE . . . -63.8 -12.9 49.92 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 121.302 -0.475 . . . . 70.430000000000007 113.651 -174.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.485 HG13 ' HD3' ' A' ' 107' ' ' ARG . 11.3 tt -58.31 -34.18 49.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 120.862 0.363 . . . . 74.310000000000002 111.506 -179.174 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.01 -13.35 56.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 63.109999999999999 110.918 -178.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.608 ' HD2' ' HA2' ' A' ' 80' ' ' GLY . 95.9 m-85 -93.6 6.24 48.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.265 -0.425 . . . . 63.149999999999999 110.997 -178.086 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -73.98 -45.8 47.82 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.981 -0.288 . . . . 74.329999999999998 110.654 174.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.497 ' HB1' ' HB1' ' A' ' 100' ' ' ALA . . . -63.68 -43.54 96.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.974 -0.557 . . . . 63.039999999999999 111.185 -177.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 72.2 p -92.21 -11.18 36.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.263 -0.426 . . . . 71.200000000000003 111.3 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.75 -30.72 12.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.142 -0.552 . . . . 74.340000000000003 112.448 -178.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.647 ' HB3' ' HE2' ' A' ' 99' ' ' TYR . 26.4 mm-40 -68.37 -58.22 4.7 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.738 -0.468 . . . . 62.039999999999999 109.738 174.199 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 32.7 t-105 -163.46 126.17 2.6 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.346 -0.983 . . . . 74.510000000000005 108.346 174.204 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -63.52 122.22 15.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.963 0.411 . . . . 73.049999999999997 111.052 -176.178 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.631 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -76.04 91.27 3.08 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.714 -0.675 . . . . 72.540000000000006 110.742 -178.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -78.13 -33.11 50.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.478 0.656 . . . . 71.310000000000002 110.226 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -125.74 169.77 12.24 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.369 -0.832 . . . . 75.319999999999993 109.192 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.777 ' HA ' ' HB2' ' A' ' 97' ' ' GLN . 45.4 mt-10 -69.11 -26.55 64.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.8 0.334 . . . . 73.319999999999993 110.38 176.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -56.11 -47.83 77.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.937 -0.574 . . . . 72.25 109.653 170.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.631 ' HB ' ' HA ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -71.6 -34.62 70.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.683 -0.69 . . . . 74.239999999999995 110.47 177.302 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.777 ' HB2' ' HA ' ' A' ' 94' ' ' GLU . 24.0 mt-30 -58.64 -32.22 68.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.87 -0.604 . . . . 61.240000000000002 111.611 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.28 -35.21 67.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.377 . . . . 71.409999999999997 111.087 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.647 ' HE2' ' HB3' ' A' ' 88' ' ' GLU . 56.2 t80 -74.02 -41.84 61.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.007 -0.542 . . . . 75.010000000000005 110.575 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.497 ' HB1' ' HB1' ' A' ' 85' ' ' ALA . . . -70.22 -36.41 74.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.088 -0.506 . . . . 60.210000000000001 110.812 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HB2' ' HE3' ' A' ' 101' ' ' LYS . 33.5 ttmt -69.19 -28.47 66.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.762 -0.654 . . . . 55.109999999999999 110.315 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.5 tt -59.47 -42.55 92.29 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.158 -0.682 . . . . 73.099999999999994 109.158 174.433 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.442 ' O ' ' HG2' ' A' ' 107' ' ' ARG . 21.3 mmt -69.97 -45.72 66.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.768 -0.651 . . . . 65.120000000000005 110.727 176.195 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -56.7 -35.35 68.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.027 -0.533 . . . . 72.540000000000006 111.063 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -53.72 -41.31 66.87 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.58 -0.737 . . . . 75.010000000000005 111.897 177.354 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.444 ' HE2' ' HD2' ' A' ' 110' ' ' TYR . 57.7 t80 -95.06 -23.55 17.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.304 -0.407 . . . . 72.120000000000005 111.619 -176.295 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.504 ' NH2' ' HA ' ' A' ' 111' ' ' SER . 11.8 mmp_? -64.35 143.12 58.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 75.409999999999997 110.608 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.87 -81.47 0.28 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.46 -0.876 . . . . 72.230000000000004 112.294 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.779 ' H ' HD13 ' A' ' 109' ' ' ILE . 0.2 OUTLIER -78.99 -29.76 14.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 111.634 0.235 . . . . 73.439999999999998 111.634 -177.212 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.777 ' HD1' HD11 ' A' ' 72' ' ' ILE . 83.8 t80 -139.49 144.01 37.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.183 0.516 . . . . 62.229999999999997 111.001 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.504 ' HA ' ' NH2' ' A' ' 107' ' ' ARG . 33.6 m -156.36 170.89 21.24 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.43 -0.952 . . . . 61.009999999999998 108.43 177.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -126.74 136.87 53.01 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.591 -1.262 . . . . 75.120000000000005 107.591 171.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.559 ' HG3' ' HB3' ' A' ' 78' ' ' TYR . 17.0 mm-40 -132.3 153.93 50.2 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.493 0.923 . . . . 74.420000000000002 113.493 -171.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.759 ' H ' ' HE3' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -105.36 97.41 7.25 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 113.89 -1.505 . . . . 64.219999999999999 109.121 -177.242 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 25.4 m -108.63 145.68 15.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.264 0.554 . . . . 74.040000000000006 110.912 -175.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 116' ' ' LYS . 42.1 tptt -102.73 84.75 2.45 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.759 -0.83 . . . . 74.099999999999994 108.759 175.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -131.49 153.15 50.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.957 -0.565 . . . . 64.510000000000005 111.321 -174.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -119.15 15.62 13.2 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.76 0.79 . . . . 74.319999999999993 108.932 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.9 t -86.81 35.19 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.193 -0.912 . . . . 74.400000000000006 110.664 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -58.87 106.54 0.91 Allowed Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.652 -0.579 . . . . 72.400000000000006 111.652 177.209 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -72.81 163.43 28.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.723 -0.238 . . . . 72.239999999999995 110.497 -178.391 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.68 -25.27 67.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.618 0.247 . . . . 64.340000000000003 111.471 -177.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -70.81 -26.72 63.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 72.439999999999998 111.063 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -59.14 -27.57 65.76 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.137 -0.483 . . . . 50.350000000000001 111.461 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -54.13 -31.96 53.82 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.347 0.404 . . . . 71.540000000000006 111.355 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -69.45 -54.24 15.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.46 -0.336 . . . . 71.319999999999993 111.249 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.412 HG11 ' HA ' ' A' ' 11' ' ' THR . 12.4 p -68.34 -26.69 34.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.972 0.415 . . . . 53.420000000000002 110.233 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.41 -54.89 22.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.897 -0.592 . . . . 70.420000000000002 111.075 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -61.59 -33.1 73.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.753 0.311 . . . . 75.340000000000003 110.645 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -68.65 -50.63 49.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.323 -0.399 . . . . 64.099999999999994 110.683 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.35 -46.45 83.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.354 -0.385 . . . . 63.520000000000003 111.356 -178.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.42 ' HE3' HG21 ' A' ' 16' ' ' VAL . 46.7 mttp -60.01 -45.64 92.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.353 -0.385 . . . . 73.230000000000004 111.747 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.7 t -65.39 -34.81 79.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.616 0.246 . . . . 74.319999999999993 110.619 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.08 -24.21 64.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 51.140000000000001 111.165 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.575 HD22 ' HB3' ' A' ' 19' ' ' GLN . 96.6 mt -92.91 3.94 54.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.067 -0.515 . . . . 62.25 110.115 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.15 12.38 82.44 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.617 -0.72 . . . . 75.239999999999995 112.645 177.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 63.9 mt -87.77 122.24 39.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.94 0.4 . . . . 72.439999999999998 110.579 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.89 171.2 14.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.172 -0.467 . . . . 74.530000000000001 110.167 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -72.7 113.81 10.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.264 0.554 . . . . 44.439999999999998 111.163 -177.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 80.9 mt -93.56 -24.66 17.87 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.285 -0.871 . . . . 64.409999999999997 111.996 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -138.46 -19.89 1.07 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 114.74 1.385 . . . . 64.109999999999999 114.74 -163.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 72.7 m80 -75.72 89.62 2.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.42 0.628 . . . . 74.200000000000003 110.902 -171.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -102.19 160.93 14.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.551 -0.749 . . . . 65.299999999999997 110.302 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 70.55 -55.46 0.63 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.75 0.82 . . . . 64.120000000000005 110.074 -169.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -78.37 81.51 4.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.025 -0.731 . . . . 73.319999999999993 109.025 174.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -173.23 -38.23 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.062 -1.088 . . . . 64.049999999999997 108.062 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 29.1 p80 . . . . . 0 C--O 1.247 0.936 0 CA-C-N 115.08 -0.964 . . . . 75.519999999999996 108.974 171.736 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.8 ttm . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.932 0.396 . . . . 63.109999999999999 109.953 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -131.3 -56.78 1.02 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.959 -0.564 . . . . 72.120000000000005 110.708 -176.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 59.54 95.99 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 O-C-N 124.069 0.856 . . . . 65.430000000000007 110.309 -175.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -128.09 8.59 6.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.065 -0.516 . . . . 72.430000000000007 112.116 -170.59 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.0 t -145.19 118.86 9.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.921 0.391 . . . . 72.129999999999995 111.446 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 59.47 98.36 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.592 -0.731 . . . . 75.0 111.921 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.74 ' HB2' HG22 ' A' ' 72' ' ' ILE . 93.2 m-85 -92.15 157.52 16.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.833 -0.621 . . . . 74.510000000000005 110.844 -178.075 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -92.61 116.67 29.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.713 -0.676 . . . . 74.299999999999997 111.028 -177.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.405 ' HB ' HD13 ' A' ' 72' ' ' ILE . 88.5 t -125.88 111.96 28.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.176 -0.676 . . . . 62.420000000000002 109.176 173.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.52 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 90.4 m-85 -97.33 148.87 22.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.029 0.443 . . . . 75.310000000000002 110.91 -176.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.727 ' HB ' HD12 ' A' ' 75' ' ' LEU . 13.9 m -151.07 137.73 18.81 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.691 -0.686 . . . . 72.0 109.233 177.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -163.03 77.24 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.282 -0.636 . . . . 73.519999999999996 109.282 176.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.78 ' HA2' ' HA ' ' A' ' 115' ' ' VAL . . . 107.37 156.17 19.98 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.617 -0.72 . . . . 64.549999999999997 112.218 -177.179 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.475 ' H ' HG22 ' A' ' 115' ' ' VAL . 70.0 m -158.48 -51.13 0.06 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.178 -0.675 . . . . 71.099999999999994 109.178 177.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.78 ' HB3' ' HD1' ' A' ' 20' ' ' TYR . 39.1 p90 -110.57 164.19 12.97 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.766 -0.652 . . . . 71.319999999999993 109.357 173.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.504 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 5.8 p -142.57 111.73 2.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.172 0.51 . . . . 72.439999999999998 109.847 174.336 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 28.7 m120 57.74 36.36 26.46 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.699 -0.682 . . . . 64.319999999999993 111.659 -178.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.2 -26.26 25.25 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.93 -0.577 . . . . 62.299999999999997 114.384 172.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 29.3 pt20 -82.49 126.39 32.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 118.221 1.01 . . . . 54.229999999999997 109.002 176.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.78 ' HD1' ' HB3' ' A' ' 15' ' ' TYR . 73.2 t80 -116.25 137.34 52.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.483 0.659 . . . . 71.329999999999998 112.356 -167.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.07 151.57 51.29 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.21 -1.033 . . . . 74.209999999999994 108.21 169.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.651 ' HZ2' ' HG3' ' A' ' 49' ' ' ARG . 27.4 p-90 -100.15 128.61 46.2 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.072 -0.651 . . . . 75.219999999999999 110.1 179.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . . . -154.69 135.45 13.61 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.496 -0.774 . . . . 52.009999999999998 110.33 -176.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -146.32 138.05 24.8 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.336 -0.616 . . . . 73.129999999999995 109.336 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . . . -91.29 101.26 13.96 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.055 0.455 . . . . 63.219999999999999 110.672 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.33 100.16 12.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.675 -0.693 . . . . 65.329999999999998 109.19 174.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 31' ' ' LYS . 2.4 p -127.81 128.01 68.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.612 -0.722 . . . . 73.450000000000003 111.112 -172.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 30.8 ttmt -106.99 128.31 54.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.996 -0.547 . . . . 55.439999999999998 110.157 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.8 t70 66.89 11.37 8.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.705 -0.68 . . . . 71.219999999999999 111.685 172.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.0 14.21 55.18 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.66 -0.781 . . . . 65.140000000000001 113.123 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -126.91 138.75 53.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.177 0.513 . . . . 65.409999999999997 110.58 175.866 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.3 t -90.85 123.96 43.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.923 -0.58 . . . . 65.219999999999999 110.58 -176.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -75.84 -40.72 54.29 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.076 0.399 . . . . 75.230000000000004 112.076 -177.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -144.82 147.13 32.51 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.75 -0.463 . . . . 73.040000000000006 109.75 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -109.06 120.9 43.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.389 -0.369 . . . . 33.140000000000001 111.125 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -174.34 173.08 3.08 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.184 0.516 . . . . 75.209999999999994 111.574 173.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 23' ' ' ALA . . . 175.09 103.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.968 1.307 . . . . 73.409999999999997 107.723 -174.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -112.02 168.01 9.93 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.243 -0.583 . . . . 61.329999999999998 111.972 -167.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.9 m -102.79 -176.33 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 115.675 -0.693 . . . . 64.400000000000006 110.642 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.67 51.13 21.72 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.756 -0.735 . . . . 73.030000000000001 112.191 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -66.73 95.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.113 0.483 . . . . 71.299999999999997 109.934 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.451 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 49.3 m-80 -145.85 148.19 35.15 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.92 -0.77 . . . . 60.149999999999999 108.92 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.18 -49.05 13.5 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.991 2.461 . . . . 73.0 113.047 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.57 -41.51 31.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.874 0.368 . . . . 75.540000000000006 111.124 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' ' 42' ' ' ASN . . . -66.56 -41.61 88.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 63.43 111.821 -175.094 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.12 -34.88 77.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.508 -0.315 . . . . 71.140000000000001 110.892 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 m -71.29 -26.47 62.88 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.203 0.525 . . . . 64.450000000000003 110.368 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.9 mtm -88.05 29.0 0.97 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.215 0.531 . . . . 70.150000000000006 110.973 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.651 ' HG3' ' HZ2' ' A' ' 22' ' ' TRP . 2.2 mmp_? -108.52 130.82 55.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.263 -0.643 . . . . 72.209999999999994 109.263 173.545 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -70.05 -26.31 63.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.324 0.583 . . . . 54.420000000000002 110.382 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.2 t -72.59 -29.36 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.768 -0.651 . . . . 72.439999999999998 110.497 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . . . -63.88 -15.04 58.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.575 -0.739 . . . . 73.329999999999998 112.875 -172.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.04 -49.24 50.06 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.114 -0.565 . . . . 72.439999999999998 112.533 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.49 -31.86 67.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.807 0.336 . . . . 71.329999999999998 110.527 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.5 mm -62.19 -44.54 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.047 -0.524 . . . . 74.310000000000002 110.219 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.61 93.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.85 -0.614 . . . . 63.229999999999997 110.564 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.44 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . . . -63.53 -38.93 93.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 62.399999999999999 110.554 178.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -64.31 -34.72 78.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 44.310000000000002 110.715 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.34 -44.76 92.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 74.319999999999993 109.686 177.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.44 ' CD2' ' HA ' ' A' ' 57' ' ' ALA . 17.2 m-85 -65.48 -39.65 92.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.102 -0.499 . . . . 75.25 110.222 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.66 -46.94 87.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.84 -0.618 . . . . 75.120000000000005 111.013 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 58' ' ' ALA . 94.8 t -64.78 -36.55 77.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.075 0.464 . . . . 54.310000000000002 110.441 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -65.3 -38.32 89.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.902 -0.59 . . . . 72.109999999999999 110.39 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -70.86 -38.05 73.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.074 -0.512 . . . . 74.099999999999994 110.665 176.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.415 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -56.86 -32.02 65.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 62.039999999999999 110.983 179.418 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -60.01 -34.55 73.5 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.743 -0.662 . . . . 72.239999999999995 110.788 178.296 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -76.72 -38.83 53.61 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.888 0.375 . . . . 71.340000000000003 110.813 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.7 -13.77 61.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 71.129999999999995 110.936 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.19 27.4 44.77 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.835 -0.697 . . . . 65.420000000000002 112.179 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.415 HG23 ' HB1' ' A' ' 65' ' ' ALA . 30.9 m -126.01 173.01 12.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 110.079 -0.341 . . . . 54.310000000000002 110.079 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.542 ' HB2' ' HA ' ' A' ' 109' ' ' ILE . 0.0 OUTLIER -153.26 -173.18 4.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.879 0.371 . . . . 75.530000000000001 110.48 179.462 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.74 HG22 ' HB2' ' A' ' 7' ' ' TYR . 2.8 pp -108.43 162.32 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.815 -0.629 . . . . 75.109999999999999 109.388 173.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -77.83 115.59 17.7 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.234 -0.586 . . . . 73.400000000000006 110.011 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.524 HG22 ' HA ' ' A' ' 111' ' ' SER . 2.4 pp -76.75 129.9 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.819 -0.628 . . . . 72.209999999999994 111.182 -177.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.727 HD12 ' HB ' ' A' ' 11' ' ' THR . 8.0 tp 53.88 -154.17 0.26 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.028 -0.533 . . . . 74.239999999999995 109.943 178.386 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.571 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 59.4 t-80 -87.24 -62.83 1.41 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.743 -1.206 . . . . 74.329999999999998 107.743 166.574 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 178.29 136.62 0.08 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.56 -1.2 . . . . 55.210000000000001 108.469 173.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.707 ' HB3' HG23 ' A' ' 81' ' ' ILE . 0.5 OUTLIER -165.65 144.72 6.28 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.032 -0.267 . . . . 73.230000000000004 110.554 -175.692 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.29 -30.17 15.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.044 0.449 . . . . 74.099999999999994 110.388 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.2 -3.83 54.07 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.579 -0.737 . . . . 73.319999999999993 113.394 -177.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.707 HG23 ' HB3' ' A' ' 78' ' ' TYR . 2.8 pp -66.7 -20.4 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.994 0.397 . . . . 73.430000000000007 111.697 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.402 ' N ' HD12 ' A' ' 81' ' ' ILE . . . -75.49 11.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.793 0.294 . . . . 51.549999999999997 111.793 -176.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -56.96 -37.46 71.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.452 -0.34 . . . . 53.340000000000003 111.584 -177.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.45 ' CZ3' ' HB2' ' A' ' 85' ' ' ALA . 4.0 p-90 -65.68 -22.32 66.62 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 111.761 0.282 . . . . 75.299999999999997 111.761 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 84' ' ' TRP . . . -81.06 -25.76 36.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.042 0.449 . . . . 40.200000000000003 110.36 -179.517 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.1 p -91.86 -4.09 55.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.9 -0.591 . . . . 73.5 110.206 176.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.59 97.79 1.51 Allowed Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.81 -0.709 . . . . 71.049999999999997 112.719 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -71.54 -16.76 62.33 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.571 0.7 . . . . 73.549999999999997 109.754 173.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 55.6 t-105 -138.85 159.12 42.9 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.813 -1.181 . . . . 72.140000000000001 107.813 176.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -62.97 112.69 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.05 0.453 . . . . 51.399999999999999 110.843 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.41 98.24 11.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.716 -0.674 . . . . 74.109999999999999 110.907 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -90.79 -27.82 18.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.719 0.771 . . . . 75.140000000000001 108.951 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -92.92 143.68 26.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.68 -1.145 . . . . 74.239999999999995 110.162 -178.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -62.16 -36.42 81.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.216 -0.447 . . . . 74.040000000000006 110.846 -177.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -64.21 -38.43 91.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.987 -0.551 . . . . 54.310000000000002 110.967 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.2 m -61.67 -41.5 97.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 73.519999999999996 110.765 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -59.31 -42.16 90.72 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.052 -0.522 . . . . 64.120000000000005 110.828 174.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.11 92.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.971 -0.558 . . . . 63.219999999999999 110.951 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.453 ' O ' ' HG3' ' A' ' 103' ' ' MET . 24.4 m-85 -56.77 -42.62 79.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.343 -0.389 . . . . 71.150000000000006 110.986 176.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.56 -44.62 86.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.007 -0.542 . . . . 74.430000000000007 111.421 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.3 mmtm -68.79 -37.47 79.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.397 -0.365 . . . . 74.420000000000002 111.211 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.471 HD23 ' O ' ' A' ' 102' ' ' LEU . 3.7 tt -59.93 -32.86 71.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.903 -0.589 . . . . 74.019999999999996 110.5 -178.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.502 ' O ' ' HG2' ' A' ' 107' ' ' ARG . 63.4 mtt -54.71 -41.19 70.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.049 -0.523 . . . . 74.420000000000002 111.342 -178.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -53.29 -30.33 38.13 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.678 -0.692 . . . . 73.030000000000001 112.295 -169.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -48.29 82.24 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.334 -0.394 . . . . 74.030000000000001 111.191 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.461 ' CZ ' ' HA ' ' A' ' 103' ' ' MET . 28.6 p90 -97.85 -13.54 21.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 75.010000000000005 111.497 -176.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 103' ' ' MET . 27.1 mmt180 -68.71 133.87 49.01 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.341 -0.615 . . . . 74.140000000000001 109.341 173.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 122.22 -21.01 7.87 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.407 -0.901 . . . . 71.450000000000003 111.851 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.542 ' HA ' ' HB2' ' A' ' 71' ' ' LYS . 51.6 mt -79.02 -29.24 13.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.346 0.594 . . . . 64.450000000000003 109.967 177.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -127.17 156.6 41.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.516 -0.765 . . . . 71.239999999999995 109.599 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.524 ' HA ' HG22 ' A' ' 74' ' ' ILE . 15.5 t -74.18 155.66 38.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.964 0.411 . . . . 64.140000000000001 110.51 -175.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.447 ' HE1' ' HD2' ' A' ' 107' ' ' ARG . 36.6 m-85 -103.07 151.78 22.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.136 -0.483 . . . . 70.310000000000002 110.407 -176.008 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -96.17 98.38 10.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.861 0.839 . . . . 65.400000000000006 110.756 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -131.66 143.87 50.61 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.287 -0.869 . . . . 75.209999999999994 109.207 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' VAL . . . . . 0.78 ' HA ' ' HA2' ' A' ' 13' ' ' GLY . 95.8 t -95.89 121.46 46.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.291 0.567 . . . . 62.210000000000001 111.592 -176.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 116' ' ' LYS . 30.7 mmtm -147.56 172.21 14.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.641 -1.163 . . . . 75.329999999999998 107.92 172.428 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -140.44 40.66 1.9 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.898 0.38 . . . . 60.210000000000001 110.602 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -143.25 4.91 1.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.386 -0.37 . . . . 61.009999999999998 110.934 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.66 2.49 18.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.622 0.725 . . . . 75.430000000000007 109.385 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLY . . . . . 0.438 ' HA2' ' OD1' ' A' ' 124' ' ' ASN . . . -81.29 90.67 1.42 Allowed Glycine 0 N--CA 1.439 -1.109 0 CA-C-N 114.918 -1.037 . . . . 73.299999999999997 112.614 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -64.84 173.94 2.07 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.73 -0.47 . . . . 62.420000000000002 109.73 173.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -45.33 -53.79 8.04 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.995 0.739 . . . . 72.150000000000006 112.995 -174.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -76.42 -26.84 55.94 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.336 -0.393 . . . . 64.099999999999994 111.55 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.438 ' OD1' ' HA2' ' A' ' 120' ' ' GLY . 2.3 t-20 -76.33 -42.27 45.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.952 0.406 . . . . 71.349999999999994 110.719 -177.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.52 -28.26 68.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.146 0.498 . . . . 72.540000000000006 110.518 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.412 ' O ' ' HB3' ' A' ' 129' ' ' MET . 53.6 t80 -64.32 -32.17 73.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.901 -0.591 . . . . 65.209999999999994 110.805 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.446 HG21 ' HB2' ' A' ' 25' ' ' ALA . 44.2 t -65.51 -44.12 94.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.975 0.417 . . . . 72.349999999999994 109.909 177.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.22 -30.71 71.8 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.925 -0.58 . . . . 42.020000000000003 110.649 176.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.579 ' HA ' ' NH1' ' A' ' 138' ' ' ARG . 49.4 ttm -58.84 -39.79 82.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.853 -0.612 . . . . 74.209999999999994 110.493 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 11.9 tmtt? -78.73 -36.93 42.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.515 -0.311 . . . . 73.209999999999994 110.22 176.575 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.29 -52.08 56.53 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.662 0.616 . . . . 63.32 112.662 -174.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -66.16 -30.89 71.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.77 0.319 . . . . 74.129999999999995 111.247 -177.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 55.6 m -71.32 -29.08 64.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.887 0.375 . . . . 64.340000000000003 110.87 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.61 -20.76 65.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.201 0.524 . . . . 54.520000000000003 110.223 175.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 85.8 mt -88.37 -7.1 57.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.606 -0.724 . . . . 73.030000000000001 109.836 177.366 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 96.02 18.04 33.02 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.898 -0.668 . . . . 62.119999999999997 112.853 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.65 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 61.3 mt -102.09 139.95 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 122.809 -0.23 . . . . 75.010000000000005 110.931 -178.312 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' A' ' 137' ' ' ILE . 7.1 ptp85 70.34 142.91 0.05 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.252 1.421 . . . . 73.400000000000006 113.02 175.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 57.24 168.35 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 114.294 -1.321 . . . . 73.310000000000002 112.003 -178.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 91.2 mt -83.53 -47.9 10.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.509 0.559 . . . . 62.25 112.509 -174.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -140.01 -37.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.409 0.892 . . . . 73.209999999999994 113.409 -171.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -127.3 121.32 30.77 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.215 -0.303 . . . . 73.349999999999994 110.698 -173.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 7.1 p-80 -71.74 60.42 0.36 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.743 0.782 . . . . 73.239999999999995 111.41 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -141.57 10.7 2.06 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.821 -1.177 . . . . 73.340000000000003 107.821 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -111.59 175.04 5.59 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 114.753 -1.112 . . . . 65.150000000000006 109.557 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -146.92 88.8 1.76 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.092 0.472 . . . . 71.150000000000006 110.045 172.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 3.8 m80 . . . . . 0 C--O 1.245 0.858 0 CA-C-N 115.481 -0.781 . . . . 71.540000000000006 109.851 179.106 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tmt? . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 107.984 -1.117 . . . . 64.099999999999994 107.984 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -81.36 73.11 8.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.557 0.694 . . . . 70.340000000000003 109.181 175.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.97 103.73 9.56 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.88 -1.054 . . . . 74.530000000000001 109.658 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -108.56 -0.72 20.16 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.073 -0.967 . . . . 71.040000000000006 110.382 -175.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.1 p -73.16 146.47 45.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.617 -0.719 . . . . 65.420000000000002 111.391 -178.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -62.91 137.49 58.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.877 -0.601 . . . . 63.119999999999997 110.111 174.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.876 ' HB2' HG22 ' A' ' 72' ' ' ILE . 57.5 m-85 -72.95 137.66 45.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.146 0.498 . . . . 61.210000000000001 111.354 -174.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -116.24 134.06 55.33 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.258 -1.015 . . . . 63.25 108.258 173.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.69 119.17 51.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.53 0.681 . . . . 72.310000000000002 111.044 -173.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' A' ' 123' ' ' PHE . 42.5 m-85 -106.39 144.46 33.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.867 -0.606 . . . . 73.239999999999995 110.979 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.696 HG21 HD13 ' A' ' 75' ' ' LEU . 1.2 t -140.74 101.85 4.17 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.73 -0.668 . . . . 61.299999999999997 109.748 177.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -91.4 136.57 33.02 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.155 0.503 . . . . 74.530000000000001 110.47 -176.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.01 31.43 1.86 Allowed Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 110.369 -1.092 . . . . 53.32 110.369 175.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.0 t -85.93 103.54 14.74 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.162 -0.519 . . . . 75.319999999999993 110.453 -175.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.678 ' HB3' ' HB3' ' A' ' 20' ' ' TYR . 19.0 p90 -60.29 133.82 56.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.882 -0.599 . . . . 75.150000000000006 110.803 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.463 HG11 ' HE3' ' A' ' 132' ' ' LYS . 8.5 p -125.06 132.32 71.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.855 -0.612 . . . . 64.519999999999996 110.081 -177.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.5 m120 59.65 27.72 17.01 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.157 -0.474 . . . . 74.420000000000002 110.915 -176.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.6 -0.42 88.21 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.942 -0.647 . . . . 71.230000000000004 113.029 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -112.6 126.69 55.63 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.59 -0.359 . . . . 74.319999999999993 110.69 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.678 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 32.6 p90 -103.48 159.91 15.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.106 -0.497 . . . . 75.019999999999996 111.339 -176.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.99 169.85 22.5 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.654 -0.869 . . . . 62.43 108.654 176.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.413 ' HH2' ' HB2' ' A' ' 49' ' ' ARG . 22.1 p-90 -137.32 129.72 29.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.137 0.494 . . . . 71.010000000000005 110.272 176.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -144.5 151.93 39.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.768 -0.651 . . . . 74.340000000000003 111.108 -174.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -122.7 138.44 54.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.206 -0.452 . . . . 74.150000000000006 110.611 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.557 ' HB2' ' HB ' ' A' ' 127' ' ' VAL . . . -131.69 109.24 10.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.771 -0.65 . . . . 41.399999999999999 110.34 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -99.14 107.28 19.6 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.466 -0.568 . . . . 72.400000000000006 109.466 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 p -110.72 139.17 35.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.331 0.586 . . . . 51.439999999999998 111.491 -175.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' HD2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -143.87 134.26 24.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.482 -0.781 . . . . 71.120000000000005 109.594 177.358 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.5 t70 63.98 8.8 4.15 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.398 0.618 . . . . 72.420000000000002 111.781 175.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.93 -6.6 64.39 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.868 -0.682 . . . . 62.020000000000003 111.745 -177.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -104.95 159.05 16.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.864 0.364 . . . . 64.430000000000007 110.307 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.7 t -85.96 118.16 32.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.257 -0.429 . . . . 75.129999999999995 110.4 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -87.0 -38.72 16.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.151 -0.477 . . . . 63.119999999999997 109.997 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -153.58 142.99 21.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.908 -0.587 . . . . 73.030000000000001 110.15 175.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -145.94 139.74 26.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.305 -0.407 . . . . 74.25 110.146 177.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -167.04 146.29 5.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.58 -0.526 . . . . 75.329999999999998 109.58 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -141.95 134.85 28.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.634 -0.257 . . . . 52.210000000000001 111.056 -176.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -138.06 174.96 10.01 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.605 -0.517 . . . . 55.229999999999997 109.605 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.8 m -128.99 168.33 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-O 120.751 0.31 . . . . 62.520000000000003 111.246 -175.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.22 122.08 0.34 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.976 -0.63 . . . . 53.439999999999998 113.044 175.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' N ' ' HE1' ' A' ' 20' ' ' TYR . 58.9 mtpt -111.57 87.73 2.62 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.434 -0.58 . . . . 71.329999999999998 109.434 176.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -126.68 153.54 75.62 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.288 -0.869 . . . . 64.010000000000005 110.122 -177.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.52 -26.82 83.65 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.527 2.151 . . . . 50.039999999999999 112.122 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.23 -25.5 63.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 72.439999999999998 111.113 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.27 3.98 19.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.344 -0.389 . . . . 71.439999999999998 111.026 -177.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.73 -35.26 33.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.373 -0.376 . . . . 61.210000000000001 110.851 178.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.2 m -90.33 -35.1 15.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.03 0.443 . . . . 71.120000000000005 111.066 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.9 ptm -118.03 80.08 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.46 0.648 . . . . 74.239999999999995 111.245 -175.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.422 ' C ' ' H ' ' A' ' 51' ' ' VAL . 14.5 ptt180 -132.42 -24.24 2.05 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.746 -0.661 . . . . 73.0 111.033 176.214 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 73.08 -30.68 0.21 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.56 0.744 . . . . 74.239999999999995 112.085 175.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.422 ' H ' ' C ' ' A' ' 49' ' ' ARG . 45.2 t -50.61 -27.49 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 123.816 0.847 . . . . 73.140000000000001 112.006 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.54 -30.3 12.69 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.258 0.466 . . . . 72.420000000000002 112.258 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.87 -35.47 58.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.82 -0.705 . . . . 74.099999999999994 112.179 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -71.29 -44.78 64.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.718 0.294 . . . . 72.230000000000004 110.958 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.2 pt -69.09 -31.37 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.851 0.358 . . . . 62.299999999999997 110.94 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.86 -39.38 90.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.289 -0.414 . . . . 75.549999999999997 110.299 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.41 73.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.055 -0.52 . . . . 62.200000000000003 110.604 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.537 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -66.36 -36.64 83.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.969 -0.56 . . . . 63.439999999999998 110.509 176.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.25 -43.21 95.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 71.329999999999998 110.436 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -64.6 -33.9 77.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 72.540000000000006 110.403 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.67 -37.04 85.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 64.519999999999996 110.733 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 58' ' ' ALA . 91.4 t -61.54 -39.02 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-O 121.171 0.51 . . . . 72.239999999999995 110.37 176.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.97 -40.18 95.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.725 -0.67 . . . . 73.109999999999999 110.588 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -73.71 -33.6 64.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.036 -0.529 . . . . 74.430000000000007 110.653 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.62 -27.79 51.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.886 -0.597 . . . . 60.520000000000003 111.965 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.3 t -56.11 -36.66 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.412 -0.358 . . . . 72.239999999999995 110.739 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -71.16 -30.67 66.74 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.139 -0.482 . . . . 60.200000000000003 111.06 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.6 mp -89.71 -17.22 28.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.22 -0.445 . . . . 62.530000000000001 110.906 -177.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.33 47.24 23.45 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.96 -0.638 . . . . 75.519999999999996 112.004 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.8 m -129.49 168.65 22.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 110.322 -0.251 . . . . 74.310000000000002 110.322 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.527 ' HE2' ' O ' ' A' ' 108' ' ' GLY . 15.8 ptpt -131.04 173.53 10.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.488 -0.324 . . . . 64.150000000000006 110.613 -179.101 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.876 HG22 ' HB2' ' A' ' 7' ' ' TYR . 16.1 pt -131.47 153.75 39.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 116.439 -0.346 . . . . 53.140000000000001 110.509 173.692 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 73' ' ' ARG . 46.8 mtp180 -96.92 102.18 13.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 61.340000000000003 110.41 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 112' ' ' PHE . 33.6 mt -93.48 142.02 13.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.693 -0.231 . . . . 62.100000000000001 110.804 -175.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.696 HD13 HG21 ' A' ' 11' ' ' THR . 2.3 pt? -61.11 -179.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.154 0.502 . . . . 52.450000000000003 110.817 173.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -87.2 -174.1 4.72 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.858 -0.337 . . . . 74.120000000000005 111.808 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.3 t70 62.39 -157.58 0.33 Allowed 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 115.43 -0.804 . . . . 60.210000000000001 109.004 -171.546 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 40.1 t80 66.16 6.26 4.07 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.498 0.666 . . . . 74.540000000000006 110.647 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.24 -13.79 61.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.743 -0.662 . . . . 51.329999999999998 111.425 -177.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.442 ' HA2' ' CE2' ' A' ' 83' ' ' PHE . . . -53.69 -45.08 69.38 Favored Glycine 0 CA--C 1.517 0.205 0 CA-C-N 116.196 -0.456 . . . . 51.32 112.978 -179.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.435 HD12 ' N ' ' A' ' 82' ' ' ALA . 2.8 pp -75.71 -19.42 15.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.063 0.459 . . . . 54.340000000000003 111.561 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.435 ' N ' HD12 ' A' ' 81' ' ' ILE . . . -87.27 1.96 51.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.535 -0.302 . . . . 75.329999999999998 111.578 -175.618 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.793 ' HB3' ' HB3' ' A' ' 88' ' ' GLU . 11.1 m-85 -70.38 -13.22 62.05 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.2 0.444 . . . . 71.150000000000006 112.2 -177.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -73.67 -39.33 64.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.214 0.53 . . . . 52.229999999999997 109.941 176.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.83 -18.19 29.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.5 -0.773 . . . . 73.239999999999995 111.397 -175.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.9 p -104.71 -39.24 6.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.297 -0.411 . . . . 75.099999999999994 111.524 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 108.76 94.55 2.34 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.96 -0.638 . . . . 54.350000000000001 112.102 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.793 ' HB3' ' HB3' ' A' ' 83' ' ' PHE . 15.9 pt-20 -67.93 -21.55 65.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.356 0.598 . . . . 64.230000000000004 110.099 177.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -140.67 149.65 42.51 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.947 -1.131 . . . . 73.430000000000007 107.947 172.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -62.34 111.54 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.625 0.726 . . . . 71.25 111.358 -176.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.642 ' HB2' ' HB ' ' A' ' 96' ' ' THR . . . -76.94 112.31 13.42 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.561 -0.745 . . . . 61.32 110.757 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -97.02 -34.81 11.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.37 -0.377 . . . . 64.349999999999994 110.495 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -165.65 20.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.185 0.517 . . . . 74.239999999999995 110.56 176.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -82.09 -176.4 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.684 -0.689 . . . . 61.25 111.031 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -69.87 -28.93 66.06 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.953 -0.567 . . . . 71.019999999999996 110.473 176.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.642 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 6.5 m -49.52 -35.26 19.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.604 -0.726 . . . . 71.209999999999994 111.972 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.443 ' HG3' ' CB ' ' A' ' 91' ' ' ALA . 12.3 mt-30 -62.63 -34.01 76.17 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.735 0.272 . . . . 73.010000000000005 111.735 178.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.08 -31.7 58.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.15 0.5 . . . . 71.049999999999997 110.717 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -76.17 -30.58 58.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.639 . . . . 74.109999999999999 111.255 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.0 -15.06 52.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.316 0.579 . . . . 72.239999999999995 110.18 174.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.481 ' HG2' HD23 ' A' ' 102' ' ' LEU . 62.8 tttp -75.66 118.5 18.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.44 -0.8 . . . . 73.319999999999993 110.585 -177.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.481 HD23 ' HG2' ' A' ' 101' ' ' LYS . 4.2 mm? 63.21 22.47 13.38 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.55 -0.75 . . . . 72.310000000000002 112.19 177.006 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -27.36 67.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.632 0.73 . . . . 70.209999999999994 109.436 172.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.593 ' HA ' ' HB3' ' A' ' 107' ' ' ARG . 64.5 t30 -61.77 -22.41 65.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.74 -1.118 . . . . 60.200000000000003 111.14 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.05 -44.69 79.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.703 -0.68 . . . . 62.109999999999999 110.407 177.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -87.2 -25.57 23.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.874 -0.603 . . . . 74.019999999999996 110.3 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.593 ' HB3' ' HA ' ' A' ' 104' ' ' ASN . 28.7 ttt180 -63.71 144.08 57.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.755 -0.657 . . . . 73.540000000000006 110.657 178.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLY . . . . . 0.527 ' O ' ' HE2' ' A' ' 71' ' ' LYS . . . 122.12 -38.44 2.59 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.76 -0.936 . . . . 64.019999999999996 110.76 -175.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.1 mt -73.19 -39.27 56.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.837 0.827 . . . . 73.420000000000002 109.175 174.519 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.56 ' CE1' ' HA ' ' A' ' 107' ' ' ARG . 36.2 p90 -104.33 145.49 30.17 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.299 -0.864 . . . . 64.530000000000001 109.047 173.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 27.5 p -159.16 141.76 14.06 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.332 -0.618 . . . . 60.340000000000003 109.332 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 74' ' ' ILE . 67.4 m-85 -101.89 136.46 41.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.905 0.383 . . . . 75.040000000000006 110.028 -177.425 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -138.06 140.49 40.06 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.136 -0.484 . . . . 64.400000000000006 109.771 -177.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.417 ' H ' ' HG2' ' A' ' 114' ' ' LYS . 17.7 pttt -84.82 128.02 34.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.87 0.367 . . . . 74.319999999999993 110.986 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.9 p -131.61 112.33 20.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.382 0.611 . . . . 71.109999999999999 110.757 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -153.1 95.63 1.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.534 -0.913 . . . . 63.229999999999997 108.534 177.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -155.45 158.79 39.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.022 -0.536 . . . . 64.010000000000005 110.738 -176.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -92.63 -17.8 23.88 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.906 -0.776 . . . . 72.219999999999999 108.906 173.63 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.3 m -82.45 35.55 0.45 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.151 -0.932 . . . . 50.149999999999999 111.08 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -66.2 144.84 46.82 Favored Glycine 0 N--CA 1.431 -1.636 0 N-CA-C 111.668 -0.573 . . . . 22.039999999999999 111.668 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -67.62 177.02 2.15 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.005 -0.598 . . . . 73.109999999999999 111.368 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -49.1 -47.4 45.25 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.785 -0.643 . . . . 75.129999999999995 112.264 -176.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.429 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 50.4 m-85 -64.77 -26.73 68.48 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.834 -0.621 . . . . 72.5 111.459 -174.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.432 HD22 ' C ' ' A' ' 124' ' ' ASN . 0.2 OUTLIER -71.0 -43.37 68.14 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.422 -0.585 . . . . 73.150000000000006 109.422 178.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.439 ' HA ' ' HB3' ' A' ' 128' ' ' ASP . 31.7 t70 -73.43 -29.27 62.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.357 0.598 . . . . 73.140000000000001 110.109 178.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -62.53 -48.77 78.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.507 -0.77 . . . . 72.340000000000003 110.789 177.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.557 ' HB ' ' HB2' ' A' ' 25' ' ' ALA . 8.9 p -74.67 -27.61 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 121.003 0.43 . . . . 74.329999999999998 110.243 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.439 ' HB3' ' HA ' ' A' ' 125' ' ' ASP . 2.0 t70 -60.69 -46.34 90.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.905 -0.589 . . . . 74.019999999999996 110.387 174.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -59.77 -37.33 78.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 54.229999999999997 110.476 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -61.77 -47.42 85.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 72.519999999999996 110.649 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.7 93.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.935 -0.575 . . . . 73.430000000000007 111.363 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.463 ' HE3' HG11 ' A' ' 16' ' ' VAL . 31.6 mttp -59.12 -39.64 82.92 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.487 -0.324 . . . . 61.450000000000003 111.116 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 50.8 m -61.06 -30.79 70.54 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.193 -0.458 . . . . 62.030000000000001 111.265 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.68 -17.75 57.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 61.020000000000003 111.256 178.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 98.1 mt -94.22 -17.43 22.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.272 -0.422 . . . . 72.540000000000006 110.954 -178.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 95.21 -7.3 69.24 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.714 -0.755 . . . . 73.219999999999999 111.408 -176.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 63.2 mt -82.32 128.8 38.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.104 -0.702 . . . . 52.200000000000003 109.104 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 63.82 53.52 1.94 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 122.081 0.943 . . . . 73.439999999999998 109.287 -174.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.722 ' HB3' ' HB2' ' A' ' 142' ' ' HIS . 24.3 t70 -97.18 140.84 31.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.866 -1.061 . . . . 72.439999999999998 109.476 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.9 tt -60.03 -32.93 71.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.33 -0.395 . . . . 73.430000000000007 111.741 -175.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -102.36 15.0 30.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.941 0.4 . . . . 74.430000000000007 110.84 -176.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.722 ' HB2' ' HB3' ' A' ' 139' ' ' ASP . 44.1 t-80 -90.8 119.09 30.73 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.154 -0.684 . . . . 74.209999999999994 109.154 176.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -73.27 158.58 34.89 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.181 -0.463 . . . . 70.349999999999994 110.616 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -100.09 123.05 43.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.797 -0.638 . . . . 74.510000000000005 109.774 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -71.93 -39.09 69.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.15 -0.477 . . . . 74.219999999999999 110.485 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -92.29 117.26 29.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.951 -0.568 . . . . 72.209999999999994 109.962 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 . . . . . 0 C--O 1.245 0.832 0 CA-C-O 118.415 -0.802 . . . . 72.25 110.429 179.266 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 110.113 -0.329 . . . . 63.109999999999999 110.113 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -114.63 75.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.628 -0.26 . . . . 74.120000000000005 111.141 -177.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.404 ' HB3' ' HE1' ' A' ' 7' ' ' TYR . 70.2 m-20 44.98 77.88 0.07 Allowed 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.086 0.866 . . . . 74.349999999999994 112.74 177.058 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -121.4 12.52 10.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.519 0.676 . . . . 73.239999999999995 109.902 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.27 175.13 7.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.132 -0.94 . . . . 70.120000000000005 111.0 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.455 ' CD ' ' HD3' ' A' ' 73' ' ' ARG . 32.2 tt0 -71.8 114.07 9.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.236 -0.438 . . . . 75.540000000000006 109.964 178.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.404 ' HE1' ' HB3' ' A' ' 3' ' ' ASP . 42.1 m-85 -73.21 127.79 33.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.969 -0.559 . . . . 75.040000000000006 110.845 -176.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.529 ' O ' HG13 ' A' ' 27' ' ' VAL . 14.6 p-10 -109.29 110.25 21.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.409 0.623 . . . . 71.120000000000005 110.196 177.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.403 HG11 ' HE2' ' A' ' 110' ' ' TYR . 52.4 t -107.99 136.08 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.923 -0.581 . . . . 52.310000000000002 110.629 -175.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.53 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 9.2 m-85 -110.67 133.05 53.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.251 0.548 . . . . 70.439999999999998 110.639 177.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.2 m -142.1 140.32 32.47 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.941 -0.762 . . . . 72.239999999999995 108.941 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.741 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -80.35 160.36 25.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.341 0.591 . . . . 71.209999999999994 110.971 -175.9 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.69 ' HA3' ' HA ' ' A' ' 114' ' ' LYS . . . -157.65 30.68 0.51 Allowed Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.214 -1.154 . . . . 73.239999999999995 110.214 174.311 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.8 p -100.16 109.04 21.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.268 0.556 . . . . 70.239999999999995 111.877 -171.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -105.95 126.85 52.68 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.324 -0.621 . . . . 64.409999999999997 109.324 175.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.1 p -146.69 143.59 20.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 110.123 -0.325 . . . . 72.040000000000006 110.123 -177.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 27.3 m120 60.69 27.2 16.94 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.938 0.495 . . . . 64.439999999999998 110.948 -179.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.59 19.04 68.66 Favored Glycine 0 CA--C 1.52 0.372 0 CA-C-N 116.089 -0.505 . . . . 72.219999999999999 113.141 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.492 ' OE1' ' HB3' ' A' ' 135' ' ' LEU . 8.1 pt20 -131.36 147.61 52.59 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.852 -0.425 . . . . 74.129999999999995 109.852 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -141.68 138.1 32.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.014 0.435 . . . . 62.149999999999999 111.048 -175.018 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.3 141.99 51.76 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.312 -0.996 . . . . 74.209999999999994 108.312 172.21 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 49.5 p-90 -89.81 130.3 36.08 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.509 -0.477 . . . . 65.310000000000002 110.749 -175.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.741 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . . . -126.76 136.53 52.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.014 -0.539 . . . . 71.349999999999994 111.762 -179.023 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -125.59 138.51 53.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 75.140000000000001 109.91 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.614 ' HB2' HG11 ' A' ' 127' ' ' VAL . . . -133.81 104.07 6.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.939 0.4 . . . . 74.310000000000002 110.699 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -92.3 98.38 11.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.435 0.636 . . . . 74.450000000000003 110.025 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 8' ' ' ASP . 1.9 p -115.75 142.05 30.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 114.919 -1.037 . . . . 73.140000000000001 110.13 -176.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -127.75 118.4 23.71 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.59 -0.522 . . . . 75.5 109.59 179.214 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.4 t70 65.9 22.1 11.37 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.759 0.79 . . . . 72.439999999999998 110.373 175.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.96 8.85 64.52 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.638 -0.792 . . . . 62.039999999999999 112.607 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -112.14 121.66 45.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.954 -0.388 . . . . 51.229999999999997 109.954 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.426 HG22 ' HB ' ' A' ' 27' ' ' VAL . 38.6 t -90.7 104.15 15.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.881 -0.6 . . . . 55.100000000000001 109.665 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -30.2 50.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.203 -0.453 . . . . 71.310000000000002 110.48 -175.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -168.67 140.54 2.69 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.877 -0.601 . . . . 74.109999999999999 110.369 176.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.63 162.16 40.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.609 . . . . 73.519999999999996 109.606 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -173.98 171.89 3.54 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.881 0.372 . . . . 74.239999999999995 111.121 175.717 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.19 142.23 17.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.701 -0.681 . . . . 53.0 109.616 -177.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -153.72 176.3 12.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.895 0.379 . . . . 70.049999999999997 110.683 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 m -106.98 168.01 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 115.996 -0.547 . . . . 71.019999999999996 110.856 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.22 81.18 0.4 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.775 -0.726 . . . . 60.109999999999999 112.884 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -77.54 98.95 5.53 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.605 -0.517 . . . . 71.519999999999996 109.605 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -138.06 153.25 73.24 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.024 -0.535 . . . . 75.420000000000002 110.213 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.06 -46.56 32.22 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.92 2.413 . . . . 74.239999999999995 112.368 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.62 -37.6 81.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.529 -0.305 . . . . 61.130000000000003 111.359 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.421 ' HA ' ' HB2' ' A' ' 49' ' ' ARG . . . -67.0 -33.76 76.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 64.439999999999998 111.012 -178.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.39 -16.21 46.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.121 -0.49 . . . . 72.409999999999997 111.298 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.502 HG22 ' HG3' ' A' ' 48' ' ' MET . 26.6 m -95.56 -51.46 4.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.393 -0.367 . . . . 64.349999999999994 111.47 -177.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.502 ' HG3' HG22 ' A' ' 47' ' ' THR . 60.2 mtm -144.49 89.41 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.621 0.248 . . . . 74.400000000000006 110.507 -175.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.457 ' HD2' ' O ' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -167.47 61.37 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.046 -0.353 . . . . 64.329999999999998 110.046 -178.785 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 64.19 -78.18 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.926 -0.579 . . . . 73.109999999999999 112.283 174.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.5 t -58.73 -29.11 39.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.148 0.499 . . . . 75.209999999999994 110.589 -179.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.4 ' HA ' HG12 ' A' ' 55' ' ' ILE . . . -53.19 -29.45 32.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.235 -0.893 . . . . 72.310000000000002 112.162 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.27 98.87 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.548 -0.834 . . . . 61.109999999999999 112.229 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -65.32 -46.12 81.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.955 0.407 . . . . 74.209999999999994 110.931 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.4 HG12 ' HA ' ' A' ' 52' ' ' ALA . 27.2 pt -73.16 -32.62 39.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.305 -0.407 . . . . 74.030000000000001 111.629 -176.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.43 98.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.967 0.413 . . . . 74.099999999999994 110.353 175.45 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.434 ' HA ' ' HD2' ' A' ' 60' ' ' TYR . . . -65.8 -37.74 87.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.993 -0.548 . . . . 63.340000000000003 110.655 177.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.87 -32.7 72.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.976 -0.557 . . . . 64.209999999999994 110.984 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.0 tp -61.81 -35.94 79.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.106 -0.497 . . . . 71.319999999999993 110.497 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.526 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 33.6 m-85 -60.3 -37.07 79.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.079 -0.51 . . . . 73.439999999999998 110.644 177.123 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.31 -35.79 80.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 75.049999999999997 110.645 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.5 t -72.21 -36.24 55.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.233 0.539 . . . . 52.030000000000001 110.142 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' HD3' ' O ' ' A' ' 63' ' ' LYS . 7.6 tmtm? -62.9 -32.99 74.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.615 -0.721 . . . . 63.530000000000001 109.879 177.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 60' ' ' TYR . 94.8 mttt -73.02 -38.76 66.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.097 -0.501 . . . . 71.129999999999995 110.419 175.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.55 -44.37 85.16 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.535 -0.757 . . . . 65.409999999999997 112.472 -173.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.9 p -62.32 -35.46 79.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.981 0.419 . . . . 62.100000000000001 111.203 -177.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -83.18 -28.42 29.34 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.238 -0.437 . . . . 73.519999999999996 110.764 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.2 tp -76.02 -20.4 57.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.983 -0.553 . . . . 33.25 110.555 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.55 34.16 12.27 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.886 -0.673 . . . . 62.450000000000003 111.766 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.59 170.31 19.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.011 0.434 . . . . 64.209999999999994 110.363 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.521 ' HA ' HG23 ' A' ' 109' ' ' ILE . 19.8 ptpt -153.18 179.16 8.98 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.268 -0.642 . . . . 72.230000000000004 109.268 179.104 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -108.0 145.24 15.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 108.741 -0.837 . . . . 65.439999999999998 108.741 172.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.455 ' HD3' ' CD ' ' A' ' 6' ' ' GLU . 63.8 mtp180 -84.31 109.26 17.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.37 0.605 . . . . 65.120000000000005 110.443 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.665 ' HB ' ' HD2' ' A' ' 76' ' ' HIS . 38.2 pt -69.06 140.31 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.519 -1.219 . . . . 63.439999999999998 112.45 -172.344 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.3 tp -98.97 60.08 1.2 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.41 -0.814 . . . . 75.120000000000005 109.845 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.665 ' HD2' ' HB ' ' A' ' 74' ' ' ILE . 4.8 p80 -172.43 172.11 4.48 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.238 -0.437 . . . . 73.310000000000002 110.291 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -90.39 -83.03 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 O-C-N 123.159 0.287 . . . . 74.510000000000005 111.16 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.454 ' O ' HG22 ' A' ' 81' ' ' ILE . 47.3 p90 -170.34 -9.2 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 113.068 0.766 . . . . 62.119999999999997 113.068 -174.194 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.91 -25.07 58.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.285 0.476 . . . . 51.399999999999999 112.285 -172.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.647 ' HA3' ' HG3' ' A' ' 113' ' ' GLU . . . -62.52 -25.51 67.16 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 121.233 -0.508 . . . . 74.239999999999995 113.905 -175.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' ' 78' ' ' TYR . 12.4 tt -64.93 -21.35 29.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 117.186 0.493 . . . . 74.200000000000003 111.126 -176.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.693 ' HB1' ' HA ' ' A' ' 90' ' ' LYS . . . -66.32 -32.56 74.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.111 0.481 . . . . 64.329999999999998 110.566 179.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -81.88 -21.13 37.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.897 -0.592 . . . . 73.409999999999997 109.984 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -73.66 -36.16 65.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.786 -0.643 . . . . 63.43 110.082 174.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.78 -50.62 72.72 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.365 -0.834 . . . . 62.399999999999999 112.007 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.0 t -141.44 -44.58 0.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.739 -0.385 . . . . 70.540000000000006 111.359 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.43 -47.29 1.03 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.317 -0.944 . . . . 54.100000000000001 112.985 177.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -60.18 -53.51 56.86 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.905 0.383 . . . . 71.319999999999993 111.706 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 1.5 p90 -157.31 -174.71 5.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.124 -0.489 . . . . 73.519999999999996 110.781 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.693 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 53.4 mtmt -74.08 165.79 24.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.772 -0.649 . . . . 61.539999999999999 109.899 178.269 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.15 95.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.151 0.501 . . . . 50.210000000000001 111.496 -176.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -91.75 -48.25 6.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.39 -0.823 . . . . 72.310000000000002 110.354 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.55 ' HB2' ' OG1' ' A' ' 96' ' ' THR . 92.6 m-20 -84.87 150.99 24.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.565 -0.743 . . . . 62.109999999999999 110.645 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.68 -38.08 83.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.453 -0.794 . . . . 75.140000000000001 111.459 -174.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -72.38 -32.86 66.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.216 0.532 . . . . 72.140000000000001 110.124 176.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.55 ' OG1' ' HB2' ' A' ' 93' ' ' ASN . 22.9 m -63.68 -37.81 88.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.796 -0.638 . . . . 64.239999999999995 110.409 175.035 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -60.95 -35.34 76.5 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.224 -0.444 . . . . 74.329999999999998 111.197 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.53 -45.31 59.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.016 -0.538 . . . . 74.299999999999997 110.474 177.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -62.46 -35.21 78.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.055 -0.52 . . . . 74.120000000000005 110.308 177.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.77 -36.43 83.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 72.099999999999994 110.746 177.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -76.74 -22.6 53.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.230000000000004 110.082 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 59.6 tp -69.96 -35.65 74.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.172 0.511 . . . . 65.099999999999994 109.712 174.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 96.4 mmm -75.17 -29.55 60.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.35 0.595 . . . . 75.310000000000002 110.272 173.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -62.44 -30.97 71.62 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.213 -0.903 . . . . 74.140000000000001 112.566 -173.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 102' ' ' LEU . 3.9 pp0? -62.77 -18.56 62.85 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.082 0.401 . . . . 72.239999999999995 112.082 -178.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -80.01 -25.8 40.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.42 0.629 . . . . 72.109999999999999 109.764 176.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.452 ' HD2' HD12 ' A' ' 81' ' ' ILE . 72.8 ttt180 -79.79 142.59 35.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.349 -0.842 . . . . 72.5 110.329 179.07 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 148.16 -65.92 0.4 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.839 -0.696 . . . . 21.41 111.411 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.521 HG23 ' HA ' ' A' ' 71' ' ' LYS . 3.9 mp -80.18 -34.69 15.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.419 -0.585 . . . . 72.120000000000005 109.419 176.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.403 ' HE2' HG11 ' A' ' 9' ' ' VAL . 39.8 t80 -137.82 144.32 41.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.378 -0.828 . . . . 70.239999999999995 109.496 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.438 ' HB3' ' HG3' ' A' ' 107' ' ' ARG . 85.4 p -173.87 137.65 0.59 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.212 -0.662 . . . . 65.239999999999995 109.212 173.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -135.98 172.47 12.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.325 0.583 . . . . 75.040000000000006 112.039 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.647 ' HG3' ' HA3' ' A' ' 80' ' ' GLY . 13.5 tt0 -147.54 154.44 40.73 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.742 -1.117 . . . . 72.409999999999997 108.545 -171.224 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.69 ' HA ' ' HA3' ' A' ' 13' ' ' GLY . 53.2 mtpt -70.82 92.37 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.083 0.468 . . . . 74.310000000000002 110.448 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 49.7 t -86.72 134.55 27.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.659 -0.7 . . . . 72.409999999999997 110.79 -176.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -91.31 171.33 9.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.871 -0.604 . . . . 70.140000000000001 110.695 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.9 94.55 9.81 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.653 0.612 . . . . 71.150000000000006 112.653 -168.53 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -131.09 0.23 4.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.022 -0.535 . . . . 74.420000000000002 109.813 169.569 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.6 t -150.66 36.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.643 -0.708 . . . . 61.32 109.479 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.94 97.47 0.26 Allowed Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.789 -0.641 . . . . 73.230000000000004 112.901 -176.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -81.19 158.34 24.93 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.809 -0.441 . . . . 64.329999999999998 109.809 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.58 -15.44 62.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.424 -0.353 . . . . 74.310000000000002 111.691 -173.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -69.54 -34.92 74.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.291 0.567 . . . . 75.530000000000001 109.919 174.033 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -77.41 -28.03 52.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.67 -0.696 . . . . 63.109999999999999 109.68 177.114 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -56.2 -31.03 63.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.508 -0.769 . . . . 73.200000000000003 111.32 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -70.59 -43.45 69.35 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.191 0.441 . . . . 62.32 112.191 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.721 ' HB ' ' HB1' ' A' ' 23' ' ' ALA . 30.0 m -74.51 -28.82 22.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.361 -0.536 . . . . 63.130000000000003 109.887 176.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.72 -47.73 84.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.669 -0.696 . . . . 63.25 110.111 173.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 70.2 mtm -61.68 -44.81 96.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.582 . . . . 72.140000000000001 111.133 177.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -59.82 -44.26 94.11 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.644 0.259 . . . . 75.010000000000005 111.031 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.48 -45.75 92.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.933 0.397 . . . . 43.340000000000003 110.904 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.682 ' HB3' ' HB ' ' A' ' 137' ' ' ILE . 82.0 mttt -67.64 -34.4 76.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 72.439999999999998 111.404 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 56.1 m -61.91 -39.05 90.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.021 0.438 . . . . 52.210000000000001 110.637 177.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.32 -22.83 61.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.036 -0.529 . . . . 72.109999999999999 111.195 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.492 ' HB3' ' OE1' ' A' ' 19' ' ' GLN . 98.3 mt -97.56 -17.94 19.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 71.099999999999994 111.52 -176.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 93.1 23.04 25.95 Favored Glycine 0 C--O 1.237 0.302 0 C-N-CA 120.738 -0.744 . . . . 73.329999999999998 112.234 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.682 ' HB ' ' HB3' ' A' ' 132' ' ' LYS . 55.0 mt -90.27 148.96 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.692 -0.485 . . . . 62.439999999999998 109.692 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.485 ' HG3' HG22 ' A' ' 137' ' ' ILE . 81.5 mtp180 62.01 52.77 3.21 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.44 0.638 . . . . 71.219999999999999 110.208 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -117.48 147.88 42.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.253 -0.885 . . . . 71.420000000000002 109.889 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.3 mp -70.66 -45.1 65.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.525 -0.307 . . . . 72.329999999999998 111.804 -174.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -91.23 -0.82 57.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.016 0.376 . . . . 74.5 112.016 -173.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -70.08 100.17 1.59 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.728 -1.212 . . . . 73.430000000000007 107.728 170.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -43.44 104.91 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 O-C-N 124.19 0.932 . . . . 61.329999999999998 113.18 -164.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -87.77 80.78 7.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.754 -0.657 . . . . 73.420000000000002 109.494 177.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 177.95 143.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.982 -1.118 . . . . 74.209999999999994 107.982 -177.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -124.75 144.75 50.08 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.38 -0.528 . . . . 72.420000000000002 110.733 -179.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.552 -0.737 . . . . 75.140000000000001 109.84 177.051 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttt . . . . . 0 N--CA 1.484 1.255 0 N-CA-C 109.277 -0.638 . . . . 62.100000000000001 109.277 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -97.17 85.34 3.68 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 106.604 -1.628 . . . . 71.409999999999997 106.604 164.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -77.26 75.84 3.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.795 -1.093 . . . . 72.409999999999997 111.565 -163.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -137.7 2.23 2.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.484 -0.78 . . . . 70.25 110.106 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.95 96.61 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.213 0.449 . . . . 71.239999999999995 112.213 -169.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 43.9 101.77 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.51 1.124 . . . . 62.5 113.474 171.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.919 ' HB2' HG22 ' A' ' 72' ' ' ILE . 15.5 m-85 -73.01 125.65 28.13 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.225 -0.658 . . . . 72.200000000000003 109.225 178.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.529 ' O ' HG13 ' A' ' 27' ' ' VAL . 19.1 t70 -112.19 91.32 3.61 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.271 -0.422 . . . . 54.409999999999997 109.918 -174.238 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.637 HG12 HD21 ' A' ' 75' ' ' LEU . 41.1 t -99.71 115.93 41.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.898 -0.592 . . . . 62.539999999999999 110.113 -176.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.736 ' HA ' HD11 ' A' ' 75' ' ' LEU . 17.9 p90 -146.57 137.58 24.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.971 0.415 . . . . 74.209999999999994 111.506 -177.256 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.876 HG21 ' HA ' ' A' ' 24' ' ' TYR . 29.1 m -156.5 140.8 16.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.166 -0.679 . . . . 53.329999999999998 109.166 175.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.573 ' HB2' ' HB3' ' A' ' 117' ' ' ALA . 23.8 t70 -94.15 144.58 25.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.635 0.255 . . . . 72.200000000000003 110.527 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.76 66.2 3.79 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.866 -0.683 . . . . 63.109999999999999 111.712 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.2 m -71.2 152.78 43.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.101 0.477 . . . . 71.349999999999994 111.764 -176.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -131.55 171.14 13.78 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.099 -0.704 . . . . 72.25 109.099 177.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.5 p -154.84 134.62 3.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.726 0.298 . . . . 72.209999999999994 110.591 178.262 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.7 m120 63.66 27.93 14.92 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.968 -0.56 . . . . 71.040000000000006 111.149 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.86 8.49 77.8 Favored Glycine 0 C--O 1.227 -0.298 0 C-N-CA 120.624 -0.798 . . . . 73.319999999999993 112.091 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -114.39 146.37 40.66 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.514 -0.55 . . . . 72.540000000000006 109.514 178.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -138.25 152.66 48.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.145 0.498 . . . . 53.219999999999999 111.424 -177.451 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.535 ' HB1' ' O ' ' A' ' 38' ' ' ASP . . . -140.88 167.41 22.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.095 -0.957 . . . . 61.5 108.716 178.112 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.433 ' NE1' ' HB3' ' A' ' 38' ' ' ASP . 60.0 p-90 -96.96 130.46 44.27 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.123 -0.631 . . . . 73.409999999999997 110.587 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.56 136.14 10.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.336 -0.847 . . . . 73.150000000000006 109.315 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.876 ' HA ' HG21 ' A' ' 11' ' ' THR . 39.5 p90 -162.23 163.31 28.31 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.54 -0.3 . . . . 70.239999999999995 110.45 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.38 129.2 30.9 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.104 -0.498 . . . . 75.209999999999994 111.259 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.581 ' HA ' HG13 ' A' ' 9' ' ' VAL . 81.1 m-85 -88.1 106.15 17.97 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.44 -0.578 . . . . 74.549999999999997 109.44 175.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 8' ' ' ASP . 2.5 p -111.18 128.17 67.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.312 0.577 . . . . 74.099999999999994 110.964 -178.671 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.44 120.51 35.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 74.0 110.678 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 62.61 18.7 10.74 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.191 0.519 . . . . 71.120000000000005 110.577 176.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.24 0.62 59.69 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.977 -0.556 . . . . 75.340000000000003 112.479 -178.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -102.72 134.5 46.01 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.925 -0.162 . . . . 74.409999999999997 110.713 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.7 p -79.89 121.4 33.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.242 0.544 . . . . 62.109999999999999 110.319 176.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -101.52 -35.8 9.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.335 -0.393 . . . . 62.130000000000003 110.932 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -152.43 146.8 25.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.413 -0.358 . . . . 73.099999999999994 110.716 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -160.77 151.74 18.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.847 -0.615 . . . . 71.25 110.002 174.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -175.2 169.03 3.34 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.356 -0.384 . . . . 63.32 110.136 173.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -151.03 139.88 20.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.767 0.318 . . . . 64.109999999999999 111.054 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.535 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 6.0 t0 -154.39 170.94 20.17 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.098 -1.075 . . . . 55.020000000000003 108.098 175.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.401 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 28.8 m -93.01 -176.25 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-O 120.536 0.208 . . . . 64.439999999999998 110.715 -175.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.26 97.57 0.33 Allowed Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 110.957 -0.857 . . . . 72.409999999999997 110.957 173.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 26.1 mtpp -83.64 179.85 7.51 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.313 0.578 . . . . 73.319999999999993 110.791 -173.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 13.4 m120 -87.12 143.68 35.15 Favored Pre-proline 0 C--N 1.312 -1.059 0 CA-C-N 115.43 -0.805 . . . . 64.340000000000003 110.533 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 42' ' ' ASN . 53.0 Cg_exo -55.96 -39.94 88.07 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.013 2.475 . . . . 75.209999999999994 112.703 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.05 -17.06 64.45 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.845 0.313 . . . . 60.039999999999999 111.845 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.09 -39.24 8.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.077 0.465 . . . . 72.150000000000006 110.57 177.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.491 ' HA ' ' HB3' ' A' ' 50' ' ' ASN . . . -67.14 -26.71 66.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.937 -0.574 . . . . 65.349999999999994 111.799 -177.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.2 p -62.06 -25.06 67.46 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.331 0.493 . . . . 75.310000000000002 112.331 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 40.6 ttm -87.72 47.49 1.51 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.395 0.616 . . . . 64.310000000000002 110.631 -177.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.406 ' HG2' ' HA2' ' A' ' 53' ' ' GLY . 7.4 ttm180 56.96 50.39 12.27 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.262 -0.881 . . . . 71.219999999999999 111.372 174.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.491 ' HB3' ' HA ' ' A' ' 46' ' ' ALA . 22.9 t-20 -85.18 -78.07 0.27 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.318 -0.401 . . . . 74.109999999999999 110.393 177.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 t -66.87 -30.87 51.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.631 0.729 . . . . 54.030000000000001 109.715 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.71 -15.39 62.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.117 -0.947 . . . . 74.329999999999998 111.533 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLY . . . . . 0.406 ' HA2' ' HG2' ' A' ' 49' ' ' ARG . . . -60.75 -54.29 38.24 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.989 -0.624 . . . . 73.150000000000006 113.197 -174.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -63.93 -47.19 81.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.645 0.259 . . . . 74.450000000000003 111.404 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.6 pt -67.93 -35.01 70.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.122 0.416 . . . . 73.129999999999995 112.122 -176.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.47 -35.24 77.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.892 0.377 . . . . 71.430000000000007 110.792 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.41 -39.21 74.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.16 0.505 . . . . 62.340000000000003 110.229 176.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -71.91 -25.71 62.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.81 -0.632 . . . . 72.430000000000007 111.109 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.9 tp -58.28 -35.72 72.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.081 0.467 . . . . 72.340000000000003 111.104 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.35 -32.22 68.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.038 -0.528 . . . . 75.129999999999995 110.107 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.96 -33.93 70.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.994 -0.548 . . . . 74.310000000000002 109.791 175.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 58' ' ' ALA . 62.9 t -61.35 -45.97 97.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.811 -0.631 . . . . 71.019999999999996 109.648 173.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -60.51 -41.77 95.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.896 -0.593 . . . . 64.019999999999996 110.892 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -66.74 -34.76 78.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.484 -0.326 . . . . 64.140000000000001 111.588 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.68 -33.16 74.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.363 . . . . 73.120000000000005 110.91 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.434 ' HB2' ' CD1' ' A' ' 109' ' ' ILE . 7.2 t -66.95 -32.73 74.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.032 -0.531 . . . . 60.039999999999999 110.069 178.02 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -70.29 -32.42 70.21 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.017 -0.538 . . . . 73.510000000000005 111.086 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.3 mp -82.9 -25.22 32.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.027 -0.533 . . . . 73.120000000000005 110.306 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.04 34.69 8.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.788 -0.72 . . . . 74.409999999999997 112.246 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.0 m -120.96 161.75 20.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.745 0.307 . . . . 75.209999999999994 110.665 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -116.42 161.75 18.6 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.067 -0.515 . . . . 52.32 111.108 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.919 HG22 ' HB2' ' A' ' 7' ' ' TYR . 25.9 pt -131.48 176.18 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.239 -0.892 . . . . 71.319999999999993 109.78 175.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 9' ' ' VAL . 59.4 mtt-85 -100.79 137.85 38.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.307 -0.627 . . . . 73.010000000000005 109.307 172.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.461 HG23 ' HD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -107.11 125.95 63.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.654 -0.498 . . . . 61.409999999999997 109.654 179.244 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.736 HD11 ' HA ' ' A' ' 10' ' ' TYR . 2.8 mm? -83.4 -74.87 0.35 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.068 -0.515 . . . . 63.240000000000002 110.715 -177.081 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.35 96.15 2.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.957 0.408 . . . . 71.049999999999997 111.197 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.433 ' H ' HD11 ' A' ' 74' ' ' ILE . 8.8 t70 -141.16 133.72 28.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.536 -0.756 . . . . 72.129999999999995 109.777 173.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -131.07 8.24 4.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.389 0.614 . . . . 75.010000000000005 109.407 172.757 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.91 -55.15 3.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.505 -0.77 . . . . 73.530000000000001 110.686 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.57 -46.09 49.62 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.979 -0.555 . . . . 63.119999999999997 112.928 -174.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.4 pt -61.66 -20.35 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 74.239999999999995 111.521 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.482 ' O ' HG22 ' A' ' 86' ' ' THR . . . -93.76 -27.3 16.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.882 0.372 . . . . 43.509999999999998 110.651 177.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -67.65 -42.01 82.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.9 -0.591 . . . . 71.230000000000004 111.866 -173.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -73.34 -11.22 60.41 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.422 -0.511 . . . . 74.239999999999995 111.19 -178.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.707 ' HB1' ' HA ' ' A' ' 100' ' ' ALA . . . -90.17 -47.75 7.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.275 0.559 . . . . 50.399999999999999 110.208 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 82' ' ' ALA . 14.8 t -98.5 39.0 1.28 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.675 0.75 . . . . 65.450000000000003 109.32 177.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.82 -0.33 1.38 Allowed Glycine 0 CA--C 1.525 0.699 0 CA-C-N 115.054 -0.975 . . . . 71.099999999999994 115.21 -172.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -78.56 -61.18 2.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.618 0.709 . . . . 62.310000000000002 109.67 175.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -157.55 -176.95 6.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.986 -1.007 . . . . 72.109999999999999 109.065 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.42 ' HE3' ' HB2' ' A' ' 90' ' ' LYS . 39.4 ttmt -57.0 132.37 52.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.017 0.437 . . . . 75.040000000000006 111.116 178.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.04 93.46 0.2 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.69 -0.686 . . . . 74.329999999999998 111.894 -178.354 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -91.74 142.92 27.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.001 -0.545 . . . . 74.310000000000002 110.3 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.0 m120 59.58 -155.93 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.859 0.724 . . . . 44.350000000000001 110.678 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -104.94 -16.95 14.69 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.389 0.515 . . . . 73.549999999999997 112.389 -176.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -64.66 -33.58 76.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.638 -0.425 . . . . 74.450000000000003 110.759 -177.778 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.8 p -71.76 -50.44 30.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.1 -0.5 . . . . 64.230000000000004 110.499 174.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -52.98 -40.54 63.82 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.582 -0.736 . . . . 72.219999999999999 112.073 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ALA . . . . . 0.531 ' O ' ' HG2' ' A' ' 101' ' ' LYS . . . -66.08 -32.18 73.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.53 -0.304 . . . . 62.020000000000003 111.212 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -79.97 -30.78 39.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.246 0.546 . . . . 60.409999999999997 110.181 178.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.707 ' HA ' ' HB1' ' A' ' 85' ' ' ALA . . . -62.61 -30.54 71.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.719 -0.673 . . . . 75.319999999999993 112.287 -176.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 98' ' ' ALA . 22.3 ptmt -69.6 -14.62 62.93 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.096 -0.242 . . . . 62.509999999999998 110.976 -177.642 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.44 -46.24 87.2 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.258 -0.645 . . . . 73.530000000000001 109.258 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' A' ' 85' ' ' ALA . 1.8 mpt? -70.51 -28.29 64.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.849 -0.614 . . . . 75.310000000000002 110.404 177.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.536 ' O ' ' HG3' ' A' ' 107' ' ' ARG . 26.6 t-20 -66.51 -32.72 74.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 73.530000000000001 110.837 178.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.05 -39.38 23.56 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.185 -0.461 . . . . 72.230000000000004 111.351 173.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -70.12 -20.85 63.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.037 -0.529 . . . . 64.099999999999994 111.622 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 104' ' ' ASN . 7.3 ppt_? -67.63 141.4 56.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.376 0.607 . . . . 74.040000000000006 111.419 -177.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -147.63 23.11 1.5 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 110.642 -0.983 . . . . 73.019999999999996 110.642 173.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.463 HG21 ' O ' ' A' ' 62' ' ' VAL . 4.2 mt -96.2 -25.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.191 -0.504 . . . . 73.420000000000002 111.418 -173.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -129.05 145.86 51.16 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 120.221 -0.592 . . . . 71.109999999999999 111.233 -176.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.5 m -117.53 131.36 56.72 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.544 -0.91 . . . . 75.329999999999998 108.544 171.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.461 ' HD1' HG23 ' A' ' 74' ' ' ILE . 89.9 t80 -109.1 135.3 50.46 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.633 -0.427 . . . . 73.340000000000003 110.755 -178.377 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -147.87 122.3 9.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.898 -0.779 . . . . 72.140000000000001 108.898 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -78.52 78.89 4.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.431 0.634 . . . . 64.030000000000001 109.594 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.4 p -106.49 122.13 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-N 115.66 -0.7 . . . . 75.129999999999995 110.805 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.46 ' HD3' ' C ' ' A' ' 116' ' ' LYS . 5.4 tmtm? -78.13 120.16 22.54 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.08 -0.711 . . . . 64.409999999999997 109.08 177.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . . . -69.95 100.9 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.087 0.47 . . . . 61.140000000000001 110.399 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -116.13 13.21 15.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.679 -0.691 . . . . 70.010000000000005 109.409 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.6 m -72.73 -29.53 63.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.549 -0.75 . . . . 73.209999999999994 111.285 -176.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 65.39 44.6 93.05 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.658 -0.782 . . . . 72.140000000000001 111.357 -175.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -96.62 177.24 5.73 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.74 -0.467 . . . . 63.43 109.74 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -46.18 -59.5 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.492 0.717 . . . . 70.219999999999999 112.187 -178.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -62.35 -26.57 68.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.0 -0.545 . . . . 74.030000000000001 111.754 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 32.9 t-20 -70.88 -50.15 38.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.12 -0.491 . . . . 72.209999999999994 109.813 -177.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -75.66 -26.46 57.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.11 -0.496 . . . . 72.409999999999997 110.983 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -62.69 -48.46 79.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.632 -0.258 . . . . 72.030000000000001 111.086 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.1 p -65.34 -31.48 54.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-O 120.936 0.398 . . . . 64.010000000000005 110.603 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -61.26 -50.61 72.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.931 -0.577 . . . . 72.25 109.643 176.02 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 61.5 ttp -68.39 -33.1 73.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.516 -0.765 . . . . 71.230000000000004 110.572 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -61.06 -48.57 81.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.81 -0.632 . . . . 61.210000000000001 110.144 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -70.25 -32.45 70.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.105 -0.498 . . . . 65.230000000000004 110.727 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.691 ' HD2' HD12 ' A' ' 137' ' ' ILE . 21.1 tptm -56.09 -45.71 79.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.767 -0.651 . . . . 63.32 110.216 178.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 34.6 t -75.13 -35.64 61.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.656 -0.702 . . . . 62.140000000000001 110.835 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.11 -27.26 67.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 41.200000000000003 111.754 -176.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 97.2 mt -84.64 -11.72 55.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.19 0.519 . . . . 65.239999999999995 110.102 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.58 23.09 51.86 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.614 -0.803 . . . . 53.049999999999997 112.875 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.691 HD12 ' HD2' ' A' ' 132' ' ' LYS . 63.1 mt -74.65 108.81 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.788 -0.449 . . . . 72.420000000000002 109.788 178.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -108.15 -167.35 1.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.982 -0.554 . . . . 71.439999999999998 111.911 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -86.97 167.48 14.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.479 -0.782 . . . . 62.509999999999998 110.748 -177.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 94.3 mt -92.07 -19.07 22.72 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.353 0.501 . . . . 64.400000000000006 112.353 -175.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -78.45 -30.91 47.76 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.679 -0.408 . . . . 73.519999999999996 110.787 -175.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.406 ' O ' ' HB2' ' A' ' 143' ' ' HIS . 2.0 t-80 -60.82 120.17 9.62 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.541 -0.911 . . . . 43.210000000000001 108.541 174.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 142' ' ' HIS . 40.2 m80 64.57 83.02 0.17 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.617 -0.512 . . . . 72.510000000000005 109.617 -168.062 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -84.81 160.14 20.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.037 -0.528 . . . . 61.329999999999998 111.435 -174.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -117.02 173.53 6.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.87 -0.605 . . . . 55.200000000000003 109.663 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -115.59 161.47 18.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.974 0.416 . . . . 61.310000000000002 111.45 -177.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 . . . . . 0 C--O 1.248 1.026 0 CA-C-N 115.694 -0.684 . . . . 73.140000000000001 109.731 175.719 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.3 mtt . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 110.014 -0.365 . . . . 73.319999999999993 110.014 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -111.81 120.41 41.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.186 0.517 . . . . 52.229999999999997 110.763 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.484 ' HB3' ' HE1' ' A' ' 7' ' ' TYR . 1.2 m-20 -104.0 92.42 4.38 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.659 -1.237 . . . . 51.539999999999999 107.659 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.9 mtt-85 -93.89 -1.7 54.4 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.902 0.705 . . . . 72.209999999999994 112.902 -168.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.0 p -104.38 162.97 12.77 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.631 -0.428 . . . . 74.109999999999999 110.862 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.41 140.52 45.37 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.889 -0.411 . . . . 74.439999999999998 109.889 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.639 ' CD1' ' HB2' ' A' ' 28' ' ' LYS . 23.1 m-85 -88.3 128.25 35.48 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.482 0.658 . . . . 51.43 111.08 -172.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.829 ' HB2' ' HE2' ' A' ' 10' ' ' TYR . 16.4 p-10 -112.87 94.62 4.99 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.923 -1.035 . . . . 74.439999999999998 111.216 -176.367 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 21.5 t -103.57 111.14 32.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.455 -0.572 . . . . 70.129999999999995 109.455 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.829 ' HE2' ' HB2' ' A' ' 8' ' ' ASP . 7.4 p90 -154.35 142.21 20.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.959 0.409 . . . . 72.450000000000003 111.475 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.723 HG21 ' HA ' ' A' ' 24' ' ' TYR . 15.4 p -142.32 172.21 13.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.469 -0.787 . . . . 71.140000000000001 109.535 175.498 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -90.69 147.39 23.3 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.968 -0.382 . . . . 74.349999999999994 109.968 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -141.08 35.03 1.88 Allowed Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.973 -0.632 . . . . 54.240000000000002 111.744 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 t -103.02 122.5 44.76 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.944 -0.391 . . . . 62.229999999999997 109.944 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.555 ' HB3' ' HB3' ' A' ' 20' ' ' TYR . 6.3 p90 -68.21 106.06 2.31 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.431 0.634 . . . . 73.409999999999997 109.724 176.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.615 HG13 ' HE3' ' A' ' 132' ' ' LYS . 7.6 p -100.16 129.01 51.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.572 -0.74 . . . . 74.530000000000001 110.959 -173.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASN . . . . . 0.415 ' OD1' HG22 ' A' ' 16' ' ' VAL . 22.3 m120 63.37 26.99 15.19 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.126 -0.943 . . . . 73.140000000000001 110.626 -176.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.29 -22.03 11.3 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.758 -0.655 . . . . 54.450000000000003 112.815 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.608 ' HG2' ' HG ' ' A' ' 135' ' ' LEU . 2.0 mp0 -81.63 140.24 34.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.999 0.428 . . . . 71.409999999999997 110.85 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.555 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 42.4 p90 -139.69 153.36 47.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.021 -0.536 . . . . 65.019999999999996 109.989 177.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.689 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -155.49 169.98 23.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.107 -0.497 . . . . 55.329999999999998 109.865 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.3 p-90 -97.22 129.18 44.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.908 -0.775 . . . . 74.010000000000005 108.908 174.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.05 136.95 6.03 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.161 -0.472 . . . . 70.200000000000003 110.335 -174.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.723 ' HA ' HG21 ' A' ' 11' ' ' THR . 47.7 p90 -166.86 155.75 10.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.276 0.56 . . . . 60.130000000000003 110.915 178.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.455 ' H ' HG21 ' A' ' 11' ' ' THR . . . -142.64 126.6 17.27 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.379 -0.828 . . . . 63.32 109.14 177.203 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -84.3 96.45 9.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.55 0.69 . . . . 75.010000000000005 109.858 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 8' ' ' ASP . 1.9 p -96.29 145.75 8.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 114.528 -1.214 . . . . 74.25 109.446 176.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.639 ' HB2' ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -163.74 137.45 5.62 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.355 -0.609 . . . . 52.0 109.355 176.658 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.427 ' HB2' ' HB3' ' A' ' 3' ' ' ASP . 9.1 t70 66.2 11.81 8.12 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.657 0.742 . . . . 74.120000000000005 109.945 178.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.75 -4.22 63.37 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.584 -0.734 . . . . 65.109999999999999 112.5 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 27' ' ' VAL . 12.2 mptt -106.67 150.98 25.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.016 0.436 . . . . 72.129999999999995 111.172 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.6 t -102.46 111.98 34.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.694 -0.685 . . . . 71.099999999999994 109.252 174.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -94.59 -15.76 23.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.527 -0.306 . . . . 64.25 111.25 -173.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.523 ' CE2' ' HG3' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -160.2 144.04 14.11 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.917 -0.771 . . . . 71.239999999999995 108.917 176.82 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -155.34 127.09 7.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.887 0.375 . . . . 60.240000000000002 111.612 -172.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -154.66 135.48 13.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.01 -0.541 . . . . 71.109999999999999 109.57 174.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -155.53 121.16 4.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.457 -0.338 . . . . 63.450000000000003 110.297 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -166.68 164.51 16.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 64.319999999999993 110.748 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.689 HG12 ' HB2' ' A' ' 21' ' ' ALA . 30.9 m -89.23 146.15 6.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.036 0.446 . . . . 63.340000000000003 111.321 -178.217 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.98 111.79 0.32 Allowed Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.834 -0.698 . . . . 64.420000000000002 112.983 176.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -92.18 174.38 7.34 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 107.951 -1.129 . . . . 52.240000000000002 107.951 171.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -143.54 144.61 28.28 Favored Pre-proline 0 C--N 1.31 -1.127 0 CA-C-N 116.647 -0.252 . . . . 71.209999999999994 110.536 -176.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -66.02 -16.15 51.35 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.91 2.407 . . . . 61.549999999999997 111.438 174.46 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.35 -7.46 37.54 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.51 -0.768 . . . . 73.439999999999998 111.083 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.91 -37.26 78.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 73.420000000000002 110.532 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.47 -27.02 51.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.887 -0.597 . . . . 72.010000000000005 110.704 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.3 m -65.33 -46.29 80.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 75.329999999999998 110.688 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 49.6 ttm -96.64 -82.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 63.32 110.34 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.765 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . 11.6 ptt180 -167.66 -51.16 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.678 -0.237 . . . . 62.420000000000002 110.703 178.401 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.529 ' N ' ' HG3' ' A' ' 49' ' ' ARG . 0.6 OUTLIER 50.78 -87.42 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.97 0.908 . . . . 71.209999999999994 112.212 -176.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.626 ' O ' HG12 ' A' ' 55' ' ' ILE . 29.7 t -65.88 -38.32 81.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.559 -0.292 . . . . 74.420000000000002 110.598 -176.385 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.765 ' HB3' ' HB2' ' A' ' 49' ' ' ARG . . . -55.7 -35.0 65.59 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.098 -0.501 . . . . 73.510000000000005 112.215 -176.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.48 -48.11 19.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 45.130000000000003 111.927 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.523 ' HG3' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -67.62 -26.56 66.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.689 0.28 . . . . 64.010000000000005 111.127 -178.38 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.626 HG12 ' O ' ' A' ' 51' ' ' VAL . 17.0 mm -55.3 -30.11 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 116.019 -0.537 . . . . 54.549999999999997 111.742 176.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.08 -45.56 43.3 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.071 0.397 . . . . 51.210000000000001 112.071 -177.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.54 -33.69 74.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.864 0.364 . . . . 64.239999999999995 111.559 -177.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.608 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -77.38 -40.09 45.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.154 -0.475 . . . . 41.439999999999998 110.571 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.499 HD21 ' HE3' ' A' ' 63' ' ' LYS . 10.2 tt -59.81 -50.99 71.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 73.299999999999997 111.061 -176.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -68.76 -28.35 66.72 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.96 -0.296 . . . . 72.230000000000004 110.536 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.72 -37.11 85.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.627 -0.26 . . . . 45.329999999999998 110.509 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 58' ' ' ALA . 39.8 t -60.93 -45.04 99.08 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 CA-C-O 121.47 0.652 . . . . 75.239999999999995 109.516 174.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.499 ' HE3' HD21 ' A' ' 59' ' ' LEU . 77.6 mttt -66.95 -43.93 81.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.088 -0.96 . . . . 75.200000000000003 111.341 -178.364 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -62.17 -41.04 97.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 111.064 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.586 ' HB2' ' HD2' ' A' ' 7' ' ' TYR . . . -71.25 -32.22 68.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.624 0.249 . . . . 74.519999999999996 110.701 178.256 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.2 t -62.56 -41.05 98.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 42.450000000000003 110.066 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.85 -31.06 59.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.022 -0.536 . . . . 63.43 110.823 177.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.6 tp -74.36 -25.53 59.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 43.530000000000001 110.34 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.67 38.81 11.36 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.973 -0.558 . . . . 73.239999999999995 112.824 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.4 m -134.72 176.43 8.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.821 0.343 . . . . 74.230000000000004 111.089 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -117.19 164.47 14.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.943 -0.571 . . . . 61.329999999999998 110.257 176.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.571 HG12 ' CD1' ' A' ' 110' ' ' TYR . 1.5 pp -122.95 158.71 27.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.416 -0.587 . . . . 52.229999999999997 109.416 173.478 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -125.98 111.16 14.42 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.936 -0.394 . . . . 73.430000000000007 109.936 176.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.546 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -101.47 116.34 44.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.924 0.869 . . . . 74.340000000000003 108.997 175.896 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.53 ' HA ' ' O ' ' A' ' 113' ' ' GLU . 6.2 mp -91.72 120.07 32.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.469 -0.787 . . . . 71.329999999999998 111.435 -173.035 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -178.16 -167.06 0.12 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.024 -0.535 . . . . 64.519999999999996 110.15 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -64.89 175.79 1.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.335 -0.848 . . . . 71.120000000000005 112.531 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.417 ' CE1' ' HD1' ' A' ' 112' ' ' PHE . 51.9 m-85 -118.37 15.89 13.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.291 -0.868 . . . . 73.150000000000006 110.803 174.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.14 -47.08 6.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.913 0.387 . . . . 73.019999999999996 111.068 -176.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -76.5 -9.03 86.17 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.062 -0.589 . . . . 52.450000000000003 113.247 -175.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.9 pp -70.98 -20.83 21.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.835 0.35 . . . . 71.120000000000005 111.221 -177.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.02 -23.68 62.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 75.349999999999994 111.185 -178.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -75.14 -15.34 60.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.041 -0.527 . . . . 71.230000000000004 110.671 -176.265 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -73.11 -51.79 16.66 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.102 -0.703 . . . . 72.200000000000003 109.102 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.68 ' HB1' ' HA ' ' A' ' 100' ' ' ALA . . . -62.28 -40.55 96.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.425 -0.807 . . . . 51.100000000000001 110.859 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.3 p -87.81 20.78 2.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.084 -0.507 . . . . 75.319999999999993 111.144 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.78 -7.68 70.52 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 121.258 -0.496 . . . . 33.310000000000002 112.67 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.11 -59.27 1.83 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.315 -0.994 . . . . 74.120000000000005 108.315 175.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 24.9 t90 -154.63 161.52 41.55 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.003 -1.11 . . . . 75.230000000000004 108.003 177.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -70.82 128.81 37.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.181 -0.304 . . . . 74.239999999999995 110.181 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.78 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -62.21 98.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.16 0.505 . . . . 72.519999999999996 111.166 -177.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.622 ' HE2' ' HA ' ' A' ' 92' ' ' LYS . 0.2 OUTLIER -124.26 -37.62 2.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.768 -0.651 . . . . 65.299999999999997 111.489 -175.764 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -134.13 104.76 6.35 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.914 -0.314 . . . . 60.310000000000002 111.612 -173.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 44.65 -84.03 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.975 1.472 . . . . 74.430000000000007 114.975 170.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -53.59 -37.62 63.15 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.069 0.396 . . . . 72.310000000000002 112.069 -171.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.78 ' HB ' ' HA ' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -69.26 -40.79 77.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.941 0.4 . . . . 60.350000000000001 110.756 178.951 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -65.23 -43.36 91.68 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.766 -0.652 . . . . 62.439999999999998 110.428 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.83 -49.02 76.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.575 -0.739 . . . . 74.239999999999995 110.495 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -62.64 -34.98 78.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.369 . . . . 64.049999999999997 111.601 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.68 ' HA ' ' HB1' ' A' ' 85' ' ' ALA . . . -57.86 -48.67 79.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.095 0.474 . . . . 62.229999999999997 110.692 177.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -78.0 -25.7 48.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.014 -0.539 . . . . 70.200000000000003 110.485 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 60.2 tp -65.19 -40.39 94.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 73.019999999999996 110.338 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.465 ' O ' ' HG2' ' A' ' 107' ' ' ARG . 96.6 mmm -64.82 -42.93 94.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.511 -0.313 . . . . 44.130000000000003 110.293 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -65.25 -37.59 87.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 74.0 110.464 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -54.96 -38.3 67.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.547 -0.751 . . . . 75.310000000000002 111.025 178.607 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -80.93 -18.44 47.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.19 -0.459 . . . . 72.230000000000004 111.602 -177.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 103' ' ' MET . 22.2 mmm180 -75.91 115.36 15.54 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.235 -0.586 . . . . 52.399999999999999 110.239 -177.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -144.39 -43.48 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.463 -0.789 . . . . 54.219999999999999 111.174 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 109' ' ' ILE . 4.6 mp -64.84 -39.61 86.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.482 0.658 . . . . 73.519999999999996 109.313 173.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.573 ' CD1' HG22 ' A' ' 62' ' ' VAL . 2.5 m-85 -111.09 143.92 41.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.531 -0.759 . . . . 74.540000000000006 109.456 174.247 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.514 ' O ' HG22 ' A' ' 74' ' ' ILE . 77.4 p -156.23 162.78 40.12 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.444 -0.576 . . . . 54.32 109.444 176.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.417 ' HD1' ' CE1' ' A' ' 78' ' ' TYR . 0.9 OUTLIER -116.63 134.6 54.63 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.838 0.351 . . . . 75.120000000000005 110.23 179.76 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.53 ' O ' ' HA ' ' A' ' 75' ' ' LEU . 2.4 mp0 -131.74 136.89 47.95 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.94 -0.573 . . . . 62.039999999999999 110.66 -175.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.403 ' HB3' ' HE2' ' A' ' 78' ' ' TYR . 56.2 tptt -106.36 89.59 3.09 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.209 0.528 . . . . 74.349999999999994 109.715 173.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.7 p -135.3 137.12 50.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.66 -0.7 . . . . 74.239999999999995 109.488 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -122.95 92.67 3.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.079 0.466 . . . . 70.310000000000002 109.836 -179.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -131.47 -80.07 0.52 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.875 -0.602 . . . . 44.149999999999999 109.437 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -101.67 32.54 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.822 -0.807 . . . . 72.409999999999997 108.822 172.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.8 m -84.02 29.36 0.56 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.879 -1.055 . . . . 72.439999999999998 111.773 -172.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -132.55 70.32 0.52 Allowed Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.089 -0.804 . . . . 73.439999999999998 111.089 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -89.81 -176.42 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.793 0.33 . . . . 71.299999999999997 110.828 -178.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.32 -34.44 75.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 64.109999999999999 111.135 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -74.23 -26.62 60.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.072 -0.513 . . . . 71.439999999999998 111.286 -177.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -69.07 -44.42 72.6 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.416 -0.587 . . . . 73.109999999999999 109.416 174.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.14 -34.59 76.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.208 -0.906 . . . . 71.549999999999997 110.838 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.489 ' HA ' ' HE2' ' A' ' 129' ' ' MET . 65.3 t80 -58.78 -41.25 86.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.765 -0.652 . . . . 71.109999999999999 110.953 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 54.0 t -69.97 -38.74 76.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 74.310000000000002 111.063 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -58.2 -49.14 78.11 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.927 0.394 . . . . 73.230000000000004 111.13 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' MET . . . . . 0.489 ' HE2' ' HA ' ' A' ' 126' ' ' TYR . 54.4 mtm -58.88 -45.69 89.6 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.917 -0.583 . . . . 62.210000000000001 111.15 -178.503 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -66.42 -40.15 89.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.898 -0.592 . . . . 73.230000000000004 110.146 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.63 -51.35 70.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 53.140000000000001 111.07 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.615 ' HE3' HG13 ' A' ' 16' ' ' VAL . 32.4 mmtp -63.06 -38.77 92.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 70.409999999999997 111.174 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.6 m -65.48 -30.67 71.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.145 -0.48 . . . . 60.240000000000002 110.747 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.488 ' HB3' HG13 ' A' ' 39' ' ' VAL . . . -74.36 -21.26 59.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 74.400000000000006 111.429 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.608 ' HG ' ' HG2' ' A' ' 19' ' ' GLN . 1.3 mm? -85.37 -8.29 58.52 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.554 -0.536 . . . . 73.310000000000002 109.554 174.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.85 16.25 63.78 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.724 -0.75 . . . . 52.100000000000001 111.81 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 71.9 mt -87.89 113.44 25.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.777 0.322 . . . . 64.430000000000007 110.419 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.12 172.77 12.63 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.072 -0.513 . . . . 75.299999999999997 109.748 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ASP . . . . . 0.846 ' HB3' ' HB3' ' A' ' 142' ' ' HIS . 13.9 m-20 55.72 73.9 0.41 Allowed 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 123.895 0.747 . . . . 72.450000000000003 111.565 178.324 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.5 mp -90.78 -37.79 13.42 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.649 -0.705 . . . . 62.229999999999997 109.132 176.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.88 27.88 3.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.045 -0.979 . . . . 61.340000000000003 109.888 178.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.846 ' HB3' ' HB3' ' A' ' 139' ' ' ASP . 21.1 p-80 -72.16 129.96 39.71 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.961 0.41 . . . . 63.119999999999997 110.631 -177.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -108.06 93.23 4.42 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.225 -0.443 . . . . 62.340000000000003 109.982 176.345 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -127.28 129.19 47.26 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.452 -0.573 . . . . 62.310000000000002 109.452 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -86.42 149.84 24.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.249 -0.432 . . . . 72.209999999999994 111.644 -171.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 72.55 -67.24 0.27 Allowed 'General case' 0 N--CA 1.468 0.473 0 O-C-N 124.046 0.841 . . . . 75.310000000000002 111.34 178.039 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 19.7 t60 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.745 -0.645 . . . . 64.099999999999994 109.32 -178.748 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.2 ttp . . . . . 0 N--CA 1.48 1.041 0 CA-C-O 121.037 0.446 . . . . 63.119999999999997 110.179 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -139.09 99.02 3.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.985 0.421 . . . . 73.310000000000002 110.854 -178.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -91.69 89.79 7.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.675 0.75 . . . . 74.140000000000001 109.638 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -113.8 3.14 15.38 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.342 -0.844 . . . . 74.230000000000004 111.109 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.3 t -86.96 164.09 16.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.166 -0.47 . . . . 72.209999999999994 110.955 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.529 ' HA ' HG22 ' A' ' 72' ' ' ILE . 1.4 mp0 -59.36 120.71 9.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.74 -0.664 . . . . 60.100000000000001 110.182 178.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.406 ' HD1' ' HB3' ' A' ' 28' ' ' LYS . 95.4 m-85 -72.28 142.36 48.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.248 -0.433 . . . . 55.009999999999998 110.446 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -92.91 95.24 9.38 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.972 -0.751 . . . . 74.329999999999998 108.972 174.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.427 ' O ' ' HE1' ' A' ' 76' ' ' HIS . 50.3 t -94.48 127.0 46.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.602 -0.727 . . . . 63.009999999999998 110.4 -174.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.58 ' O ' HG22 ' A' ' 11' ' ' THR . 66.0 m-85 -88.49 175.85 7.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.335 -0.393 . . . . 73.349999999999994 111.095 -178.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.904 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 2.7 t 58.39 4.44 0.34 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.309 1.444 . . . . 71.540000000000006 113.592 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.9 p-10 -74.7 80.74 2.05 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.677 0.751 . . . . 74.340000000000003 111.412 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.2 -102.26 0.65 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.635 -0.793 . . . . 63.210000000000001 112.708 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . 0.418 ' HA ' ' CG ' ' A' ' 114' ' ' LYS . 11.8 p -165.05 -76.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.849 0.356 . . . . 75.109999999999999 110.605 -177.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -145.73 167.87 22.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.049 -0.523 . . . . 71.349999999999994 109.895 177.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.489 HG21 ' O ' ' A' ' 117' ' ' ALA . 12.1 p -146.82 137.46 17.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.667 0.27 . . . . 61.399999999999999 110.502 178.301 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 23.3 m120 60.74 26.68 16.46 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.033 -0.53 . . . . 74.230000000000004 110.802 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.36 -3.93 65.33 Favored Glycine 0 CA--C 1.521 0.469 0 CA-C-N 116.083 -0.508 . . . . 63.299999999999997 112.445 -177.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.589 ' HB3' HD22 ' A' ' 135' ' ' LEU . 16.5 mm-40 -101.75 137.13 40.47 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.169 -0.308 . . . . 72.120000000000005 110.169 -178.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -120.03 146.6 45.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.976 0.417 . . . . 74.219999999999999 110.626 178.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.568 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -155.05 167.17 31.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.682 -0.69 . . . . 64.209999999999994 109.529 -178.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.446 ' CE2' ' HB3' ' A' ' 38' ' ' ASP . 35.2 p-90 -105.4 130.08 53.57 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.565 -0.531 . . . . 73.430000000000007 109.565 178.448 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.15 167.43 18.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.072 -0.513 . . . . 73.030000000000001 110.214 -176.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.498 ' HA ' ' CG2' ' A' ' 11' ' ' THR . 49.4 p90 -167.16 157.5 11.32 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 123.396 0.435 . . . . 70.430000000000007 110.93 177.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.57 102.23 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.427 -0.806 . . . . 45.200000000000003 109.906 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -90.42 109.96 21.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.197 0.522 . . . . 74.219999999999999 110.309 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 1.5 p -129.78 133.96 63.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.373 -0.83 . . . . 71.239999999999995 111.744 -174.128 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HB3' ' HD1' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -145.61 139.94 27.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.483 -0.781 . . . . 75.040000000000006 109.097 173.086 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.5 t70 64.83 15.17 9.7 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.544 0.688 . . . . 74.430000000000007 110.494 -178.088 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.93 -1.55 83.37 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.814 -0.708 . . . . 73.099999999999994 112.322 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 27' ' ' VAL . 13.4 mptt -96.72 135.55 38.51 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 121.393 0.616 . . . . 72.239999999999995 110.222 178.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.24 124.04 65.6 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 CA-C-N 114.964 -1.016 . . . . 61.240000000000002 110.094 -178.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.46 ' CD2' ' HD1' ' A' ' 34' ' ' TYR . 85.1 t60 -72.93 -49.34 30.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.931 -0.577 . . . . 71.299999999999997 110.495 -177.092 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.46 ' HD1' ' CD2' ' A' ' 33' ' ' HIS . 8.0 m-85 -143.41 140.45 30.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.955 0.407 . . . . 75.439999999999998 110.555 176.173 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 126' ' ' TYR . 0.0 OUTLIER -130.6 119.06 21.92 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.385 -0.825 . . . . 75.420000000000002 109.227 173.73 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -167.51 163.39 14.77 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.24 -0.652 . . . . 62.039999999999999 109.24 -177.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 130' ' ' LYS . . . -159.3 121.61 3.48 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.846 -0.427 . . . . 51.409999999999997 109.846 -178.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.504 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 31.3 t70 -132.6 153.01 51.45 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.867 -0.333 . . . . 71.109999999999999 110.287 -177.188 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.578 HG12 HD23 ' A' ' 135' ' ' LEU . 27.1 m -84.23 174.97 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.05 0.452 . . . . 71.239999999999995 111.856 -174.674 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.56 87.16 0.52 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.362 -0.695 . . . . 62.119999999999997 111.362 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -92.94 -168.05 1.86 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.062 0.458 . . . . 61.420000000000002 110.864 -177.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -57.44 150.54 43.72 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.012 -0.994 . . . . 65.409999999999997 111.175 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.68 -14.7 18.12 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.363 2.709 . . . . 70.409999999999997 112.906 -178.268 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.47 -45.72 80.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.398 -0.364 . . . . 70.120000000000005 110.812 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.25 -30.09 61.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.032 0.444 . . . . 71.109999999999999 110.662 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.13 -22.63 61.29 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.875 -0.602 . . . . 22.23 110.825 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.7 m -96.84 -49.3 5.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.619 -0.719 . . . . 41.329999999999998 110.418 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 66.1 mtm -88.98 67.79 8.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.565 0.698 . . . . 73.319999999999993 109.598 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.771 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 84.5 mtt180 -75.7 89.2 2.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.406 -0.815 . . . . 72.120000000000005 110.754 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -71.3 -65.31 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.69 0.281 . . . . 73.239999999999995 110.436 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.41 -48.6 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 70.040000000000006 110.674 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.771 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -68.78 -13.91 62.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.649 -0.705 . . . . 64.310000000000002 111.551 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.41 -38.13 93.01 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 116.137 -0.483 . . . . 74.349999999999994 113.247 -177.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.42 -30.58 71.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.128 0.464 . . . . 72.200000000000003 110.101 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.4 mm -70.17 -36.65 68.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 64.310000000000002 109.804 177.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.05 -29.27 65.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.649 -0.705 . . . . 62.149999999999999 110.681 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.48 -37.78 42.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.126 -0.488 . . . . 74.450000000000003 110.218 176.176 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -67.0 -21.12 65.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.71 -0.677 . . . . 71.140000000000001 111.269 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.4 tp -50.68 -34.22 25.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.081 -0.509 . . . . 64.540000000000006 111.609 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -60.85 -48.88 79.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.486 -0.325 . . . . 60.350000000000001 110.606 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -30.61 70.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.019 0.438 . . . . 61.229999999999997 110.472 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.502 HG11 ' HD1' ' A' ' 110' ' ' TYR . 82.0 t -65.02 -45.92 93.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.846 -0.616 . . . . 75.109999999999999 110.442 176.062 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -68.21 -32.82 73.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.547 0.689 . . . . 74.200000000000003 109.723 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -61.57 -33.03 73.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.001 -1.0 . . . . 65.120000000000005 110.788 174.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.418 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -64.72 -29.88 70.88 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.327 -0.397 . . . . 61.539999999999999 111.391 -178.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.7 m -60.01 -37.35 79.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.112 0.482 . . . . 71.409999999999997 110.049 175.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -82.98 -33.17 26.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.657 -0.702 . . . . 74.400000000000006 110.944 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.1 tp -68.42 -26.6 65.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 74.430000000000007 110.848 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.0 26.78 9.99 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.678 -0.773 . . . . 44.149999999999999 113.05 176.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.418 HG23 ' HB1' ' A' ' 65' ' ' ALA . 19.3 m -131.01 135.07 60.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.009 0.433 . . . . 64.349999999999994 110.766 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.88 ' HA ' HG23 ' A' ' 109' ' ' ILE . 14.4 ttpt -132.83 144.33 50.14 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.95 -0.568 . . . . 74.409999999999997 109.609 178.297 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.617 HG13 ' O ' ' A' ' 109' ' ' ILE . 2.1 pp -106.48 154.07 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 108.404 -0.961 . . . . 73.200000000000003 108.404 174.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -83.52 101.87 11.73 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.032 0.444 . . . . 74.120000000000005 111.06 -171.21 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.681 HD12 ' HE1' ' A' ' 112' ' ' PHE . 25.3 pt -67.09 131.91 32.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.682 -0.69 . . . . 62.130000000000003 109.645 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 mp 59.51 21.67 10.17 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.144 -0.48 . . . . 73.530000000000001 110.256 -176.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.427 ' HE1' ' O ' ' A' ' 9' ' ' VAL . 16.8 m80 56.75 46.55 19.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.475 -0.784 . . . . 75.140000000000001 111.627 -176.23 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t70 70.65 90.15 0.1 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.216 -0.902 . . . . 61.520000000000003 110.42 173.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -131.41 161.92 31.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.236 -0.438 . . . . 74.340000000000003 110.895 -173.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.13 -11.84 61.15 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.673 -0.694 . . . . 60.450000000000003 112.387 -177.368 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.738 ' HA2' ' HD2' ' A' ' 83' ' ' PHE . . . -51.96 -21.93 8.49 Favored Glycine 0 CA--C 1.522 0.494 0 CA-C-N 116.194 -0.457 . . . . 61.100000000000001 114.074 -176.411 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.8 pp -58.1 -25.21 25.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.904 0.352 . . . . 75.340000000000003 111.852 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.01 -25.77 53.04 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.885 0.374 . . . . 75.239999999999995 111.238 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.741 ' HA ' ' HA2' ' A' ' 87' ' ' GLY . 98.3 m-85 -77.91 -42.47 33.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.328 -0.396 . . . . 73.230000000000004 110.756 -177.079 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -73.98 -24.41 59.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.73 0.3 . . . . 75.129999999999995 110.866 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.535 ' HB1' ' HB1' ' A' ' 100' ' ' ALA . . . -69.79 -55.23 10.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 72.209999999999994 110.604 176.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.2 t -138.2 -48.44 0.54 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.138 -0.483 . . . . 74.420000000000002 110.79 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.741 ' HA2' ' HA ' ' A' ' 83' ' ' PHE . . . 86.05 -61.58 4.47 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.126 -0.559 . . . . 61.350000000000001 112.998 175.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.63 -59.78 3.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.148 0.499 . . . . 53.229999999999997 111.034 -172.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -151.68 159.66 43.92 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.784 -0.644 . . . . 73.340000000000003 109.299 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.84 164.25 6.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.09 0.471 . . . . 72.219999999999999 111.05 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.462 ' HB3' ' HG2' ' A' ' 97' ' ' GLN . . . -70.34 113.67 7.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.991 -0.549 . . . . 62.399999999999999 110.574 -177.126 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -78.67 67.16 4.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.819 -0.628 . . . . 73.530000000000001 111.49 -175.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 70.06 -24.39 0.16 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.685 1.365 . . . . 64.230000000000004 114.685 169.002 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.873 ' HG2' ' H ' ' A' ' 95' ' ' PHE . 15.1 tt0 -77.76 -174.04 3.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 118.058 0.39 . . . . 75.329999999999998 111.053 -176.366 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' PHE . . . . . 0.873 ' H ' ' HG2' ' A' ' 94' ' ' GLU . 61.5 t80 -52.88 -29.23 27.07 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.746 0.818 . . . . 60.109999999999999 111.622 -177.724 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.4 m -48.72 -32.14 7.98 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.108 -0.496 . . . . 72.349999999999994 111.259 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.462 ' HG2' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -57.23 -50.74 71.93 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.384 -0.371 . . . . 73.019999999999996 110.609 176.475 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.03 -28.78 67.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.24 -0.436 . . . . 42.109999999999999 111.037 -177.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -75.09 -43.09 54.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.908 -0.587 . . . . 75.299999999999997 111.293 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ALA . . . . . 0.535 ' HB1' ' HB1' ' A' ' 85' ' ' ALA . . . -92.28 -15.37 27.52 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.422 0.527 . . . . 63.310000000000002 112.422 -173.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -61.02 95.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.087 0.47 . . . . 75.340000000000003 111.661 -175.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 88.1 mt 61.37 25.49 15.44 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.196 -0.911 . . . . 73.310000000000002 112.229 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.511 ' HG2' ' HA ' ' A' ' 100' ' ' ALA . 4.5 ppp? -65.26 -36.15 83.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.615 0.245 . . . . 73.25 111.241 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.467 ' HA ' ' HG3' ' A' ' 107' ' ' ARG . 28.6 t-20 -70.73 -33.18 70.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.008 0.432 . . . . 62.409999999999997 110.531 -179.055 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -18.69 63.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.582 -0.735 . . . . 75.120000000000005 111.128 178.272 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -92.1 -39.15 11.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.403 -0.362 . . . . 62.409999999999997 110.618 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.467 ' HG3' ' HA ' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -79.39 154.48 28.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.451 . . . . 74.230000000000004 110.621 178.146 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 46.8 77.52 0.1 Allowed Glycine 0 C--N 1.334 0.453 0 O-C-N 123.723 0.639 . . . . 54.0 113.387 174.615 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.88 HG23 ' HA ' ' A' ' 71' ' ' LYS . 32.7 mm -60.41 -25.42 34.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 111.803 0.297 . . . . 75.549999999999997 111.803 -177.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.502 ' HD1' HG11 ' A' ' 62' ' ' VAL . 1.7 p90 -92.53 159.26 15.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.88 0.371 . . . . 75.450000000000003 110.902 -175.608 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.603 ' HA ' HG22 ' A' ' 74' ' ' ILE . 8.5 t -74.41 174.97 8.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.978 -0.555 . . . . 74.209999999999994 110.416 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.681 ' HE1' HD12 ' A' ' 74' ' ' ILE . 97.0 m-85 -98.53 168.47 10.16 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.319 -0.252 . . . . 64.319999999999993 110.319 -175.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . 0.549 ' O ' ' HD2' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -94.68 107.65 19.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.088 0.946 . . . . 72.319999999999993 109.764 179.169 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.549 ' HD2' ' O ' ' A' ' 113' ' ' GLU . 13.8 mptt -151.1 152.82 33.95 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.571 -1.195 . . . . 74.439999999999998 109.869 -165.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.0 p -99.17 148.71 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.727 0.298 . . . . 63.530000000000001 110.603 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.904 ' HG2' ' HA ' ' A' ' 11' ' ' THR . 14.2 ptpt -158.39 172.52 18.19 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 110.265 -0.272 . . . . 65.299999999999997 110.265 176.521 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.489 ' O ' HG21 ' A' ' 16' ' ' VAL . . . 75.67 156.99 0.18 Allowed 'General case' 0 N--CA 1.466 0.346 0 O-C-N 124.427 1.08 . . . . 61.229999999999997 112.643 170.148 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -126.44 1.05 6.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.202 -0.908 . . . . 54.109999999999999 110.121 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.9 t -149.9 -34.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.97 -0.559 . . . . 73.340000000000003 109.811 175.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.81 163.67 2.39 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-O 121.468 0.482 . . . . 50.229999999999997 113.619 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -76.5 176.15 8.56 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.98 -1.118 . . . . 64.510000000000005 107.98 169.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 125' ' ' ASP . 35.3 tt0 -51.01 -54.15 27.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.612 0.597 . . . . 74.109999999999999 112.612 -174.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -76.47 -26.58 55.51 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.613 -0.267 . . . . 73.140000000000001 111.596 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -72.1 -27.91 62.95 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.694 -0.484 . . . . 71.299999999999997 109.694 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.594 ' HA ' ' HB3' ' A' ' 128' ' ' ASP . 12.9 t70 -53.18 -29.12 29.99 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.351 -0.84 . . . . 72.230000000000004 111.366 176.359 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.409 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -58.4 -52.29 66.23 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.368 -0.378 . . . . 73.150000000000006 111.043 175.618 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 92.6 t -76.86 -36.71 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 62.039999999999999 110.379 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.594 ' HB3' ' HA ' ' A' ' 125' ' ' ASP . 4.2 t70 -56.16 -55.24 35.55 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.049 -0.523 . . . . 61.240000000000002 111.12 176.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 43.8 ttp -60.94 -39.01 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 75.030000000000001 110.904 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 11.0 mptt -69.73 -42.87 73.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.357 -0.383 . . . . 72.150000000000006 110.952 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.68 96.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.336 -0.393 . . . . 73.510000000000005 110.536 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -56.95 -42.77 80.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.162 -0.472 . . . . 75.519999999999996 111.077 176.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.7 m -65.76 -42.08 91.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.312 -0.404 . . . . 75.299999999999997 110.859 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.439 ' HB1' HG13 ' A' ' 39' ' ' VAL . . . -73.49 -39.34 64.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.355 -0.384 . . . . 53.210000000000001 111.611 -178.427 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.589 HD22 ' HB3' ' A' ' 19' ' ' GLN . 98.5 mt -80.97 -17.67 49.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.357 -0.383 . . . . 70.420000000000002 110.654 -176.197 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.18 24.88 35.6 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.099 -1.048 . . . . 61.0 112.458 177.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.1 mm -60.49 112.47 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.334 0.588 . . . . 62.049999999999997 110.913 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.825 ' H ' ' HD3' ' A' ' 138' ' ' ARG . 0.1 OUTLIER -89.54 169.03 11.7 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.306 -0.861 . . . . 50.219999999999999 110.317 178.744 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -55.55 131.7 46.85 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.629 0.581 . . . . 73.030000000000001 111.418 -176.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 89.7 mt -71.9 -24.14 61.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.259 0.552 . . . . 71.209999999999994 110.338 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -93.59 22.77 5.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.929 -0.578 . . . . 73.239999999999995 111.285 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -54.86 128.78 34.71 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.516 -0.311 . . . . 72.109999999999999 110.192 178.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -48.07 128.33 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.155 0.798 . . . . 65.25 113.155 -172.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -109.93 128.88 55.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.545 -1.207 . . . . 72.140000000000001 108.499 176.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -68.24 102.68 1.41 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.132 0.491 . . . . 71.140000000000001 109.928 -176.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -91.06 121.04 32.53 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.776 -0.647 . . . . 60.219999999999999 109.414 -176.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 . . . . . 0 C--O 1.249 1.063 0 O-C-N 123.961 0.788 . . . . 72.409999999999997 110.338 179.423 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.496 -0.557 . . . . 53.109999999999999 109.496 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -97.27 82.58 3.17 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.287 -1.005 . . . . 73.540000000000006 108.287 170.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -124.37 20.69 8.79 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.311 -0.858 . . . . 65.530000000000001 111.52 -170.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -82.67 50.4 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.14 -0.482 . . . . 74.109999999999999 110.476 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 t -139.79 95.29 2.88 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.876 -0.33 . . . . 62.039999999999999 111.79 -178.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 43.29 91.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.19 -0.913 . . . . 74.019999999999996 112.925 173.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.471 ' O ' ' HB ' ' A' ' 72' ' ' ILE . 74.0 m-85 -72.64 155.55 39.89 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.466 -0.788 . . . . 65.219999999999999 110.899 -175.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -109.68 124.99 52.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.15 0.5 . . . . 72.310000000000002 110.01 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.0 t -129.27 122.85 56.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.881 -0.6 . . . . 75.209999999999994 109.738 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.495 ' HB3' ' OD1' ' A' ' 124' ' ' ASN . 58.7 m-85 -101.97 137.89 39.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.122 -0.49 . . . . 74.150000000000006 110.287 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -168.27 148.32 4.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.018 -0.537 . . . . 73.400000000000006 110.282 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -132.93 144.06 49.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.349 -0.387 . . . . 71.450000000000003 110.216 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.73 73.21 2.7 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 120.664 -0.779 . . . . 65.420000000000002 111.315 177.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.0 m -78.07 103.09 7.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.966 0.412 . . . . 60.140000000000001 110.799 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -144.95 144.7 31.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.855 -0.612 . . . . 70.319999999999993 109.667 175.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.0 p -169.38 139.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.315 -0.402 . . . . 61.130000000000003 110.621 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 44.2 t30 63.35 28.33 15.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.903 -0.589 . . . . 71.450000000000003 111.333 171.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.21 -14.96 62.25 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.64 -0.79 . . . . 70.430000000000007 112.163 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HB3' HD22 ' A' ' 135' ' ' LEU . 7.9 mm-40 -89.08 140.29 29.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.825 0.345 . . . . 72.530000000000001 110.66 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.657 ' HE1' ' H ' ' A' ' 41' ' ' LYS . 25.0 p90 -147.6 140.32 24.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.891 -0.595 . . . . 74.329999999999998 110.745 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.48 154.43 46.1 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.989 -0.551 . . . . 64.209999999999994 110.051 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.533 ' HB3' ' HE2' ' A' ' 41' ' ' LYS . 32.7 p-90 -114.51 130.41 56.74 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.997 0.427 . . . . 74.049999999999997 110.086 177.073 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.778 ' HB1' HG22 ' A' ' 127' ' ' VAL . . . -145.64 136.15 24.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.736 -0.665 . . . . 61.5 110.147 -177.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -142.57 138.48 30.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.385 -0.37 . . . . 73.409999999999997 110.47 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . . . -119.68 104.91 10.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.883 -0.599 . . . . 73.540000000000006 110.038 175.453 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.493 ' HD2' ' HB2' ' A' ' 34' ' ' TYR . 97.3 m-85 -90.79 98.91 12.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.968 -0.56 . . . . 61.140000000000001 110.163 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.51 ' HA ' ' HA ' ' A' ' 32' ' ' VAL . 3.0 p -106.71 124.59 62.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.427 0.632 . . . . 65.310000000000002 111.066 -175.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -133.21 131.13 39.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.836 -0.62 . . . . 74.420000000000002 109.838 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 68.19 10.31 7.75 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.002 -0.545 . . . . 55.229999999999997 110.752 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.36 1.98 60.56 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.819 -0.705 . . . . 74.430000000000007 111.638 -176.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -113.77 126.97 55.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.36 . . . . 75.140000000000001 110.358 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.51 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 5.9 p -85.63 106.95 15.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.588 0.708 . . . . 71.530000000000001 110.238 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -78.21 -43.47 28.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.906 -0.588 . . . . 63.450000000000003 110.271 -174.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.493 ' HB2' ' HD2' ' A' ' 26' ' ' PHE . 94.3 m-85 -122.65 139.23 54.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.227 -0.442 . . . . 61.100000000000001 110.131 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -161.64 120.42 2.4 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.556 0.535 . . . . 72.319999999999993 109.732 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -165.84 157.15 13.82 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.995 -0.372 . . . . 75.329999999999998 109.995 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.542 ' HB3' ' HB3' ' A' ' 130' ' ' LYS . . . -143.47 108.47 4.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.478 -0.328 . . . . 70.25 110.558 179.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -116.04 148.07 40.58 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.547 -0.538 . . . . 71.409999999999997 109.547 -177.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.9 m -93.41 136.08 26.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.131 0.491 . . . . 71.230000000000004 111.207 -177.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.4 108.34 1.04 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.569 -0.824 . . . . 53.399999999999999 112.189 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.657 ' H ' ' HE1' ' A' ' 20' ' ' TYR . 86.7 mttt -92.14 96.47 10.34 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.794 -0.447 . . . . 70.310000000000002 109.794 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -134.38 144.75 52.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.2 -0.454 . . . . 74.409999999999997 111.029 -175.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.57 -11.48 31.92 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.917 2.412 . . . . 64.310000000000002 112.456 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.2 -22.6 63.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.055 -0.52 . . . . 72.120000000000005 111.209 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.16 -28.3 69.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.262 -0.426 . . . . 71.430000000000007 110.932 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.825 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . . . -78.22 -30.04 48.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.308 -0.406 . . . . 74.409999999999997 110.631 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.1 m -79.99 -43.81 21.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.054 -0.521 . . . . 72.109999999999999 110.642 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.0 ttm -80.2 -67.54 0.76 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.524 . . . . 72.209999999999994 111.473 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -89.05 -14.86 35.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.595 -0.275 . . . . 61.109999999999999 111.286 -171.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.481 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 9.1 t-20 69.96 -1.46 2.36 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.241 0.617 . . . . 74.030000000000001 111.603 175.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 55' ' ' ILE . 58.8 t -56.83 -43.02 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.184 -0.462 . . . . 54.32 111.853 -175.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.825 ' HB3' ' HB2' ' A' ' 46' ' ' ALA . . . -62.99 -21.93 66.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.631 0.253 . . . . 52.439999999999998 111.652 -176.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.34 -50.98 9.01 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.909 -0.662 . . . . 45.409999999999997 112.192 177.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.4 -33.99 69.97 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.972 0.36 . . . . 73.140000000000001 111.972 -175.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' ' 51' ' ' VAL . 40.5 pt -71.12 -29.42 36.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.737 0.303 . . . . 54.229999999999997 111.547 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.61 -24.4 8.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.775 -0.648 . . . . 54.32 112.324 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.02 -31.98 67.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.004 0.431 . . . . 73.409999999999997 111.197 177.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.56 -23.82 61.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 74.109999999999999 111.285 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 tt -63.0 -40.99 99.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.968 0.413 . . . . 72.510000000000005 110.023 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.4 -25.86 59.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.249 -0.432 . . . . 73.409999999999997 111.402 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.95 94.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.108 0.48 . . . . 51.049999999999997 109.721 173.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.1 t -69.75 -34.75 62.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.67 -0.695 . . . . 73.109999999999999 110.255 175.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -59.54 -44.53 93.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.814 -0.63 . . . . 71.430000000000007 110.168 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -70.69 -28.24 64.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 63.130000000000003 110.989 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.415 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -56.36 -35.32 67.53 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.298 0.481 . . . . 64.120000000000005 112.298 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.849 ' HB3' HD11 ' A' ' 109' ' ' ILE . 61.7 p -60.22 -38.2 82.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.16 0.505 . . . . 65.120000000000005 111.025 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -66.49 -35.67 80.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.492 -0.777 . . . . 73.329999999999998 110.561 -177.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.6 mp -84.16 -25.54 29.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.808 -0.633 . . . . 71.409999999999997 110.635 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.32 18.87 47.9 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.879 -0.677 . . . . 74.140000000000001 111.916 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.415 HG23 ' HB1' ' A' ' 65' ' ' ALA . 30.1 m -99.61 158.0 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.944 -0.391 . . . . 70.409999999999997 109.944 178.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -153.45 -179.7 8.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.565 -0.289 . . . . 74.329999999999998 110.279 -173.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.641 HG12 ' O ' ' A' ' 109' ' ' ILE . 32.5 pt -114.48 -176.34 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.879 -0.785 . . . . 62.109999999999999 108.879 171.323 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -132.74 119.53 20.46 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.134 -0.626 . . . . 73.209999999999994 111.195 -178.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 112' ' ' PHE . 5.8 tp -101.23 113.83 38.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.887 -0.597 . . . . 72.030000000000001 109.911 175.498 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 75' ' ' LEU . 4.0 mm? 62.09 -81.53 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.637 -0.71 . . . . 63.5 112.376 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -137.21 -76.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.763 0.283 . . . . 75.400000000000006 111.763 -176.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.415 ' O ' ' HE3' ' A' ' 116' ' ' LYS . 4.1 p30 -133.82 160.44 37.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.166 0.508 . . . . 65.040000000000006 112.131 -172.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -154.88 26.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.259 -0.882 . . . . 71.409999999999997 109.357 173.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.42 -13.7 60.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.173 -0.922 . . . . 53.520000000000003 112.133 -172.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -52.88 -46.87 60.16 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 121.134 -0.555 . . . . 61.509999999999998 112.94 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 34.8 pt -74.91 -20.13 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.963 0.411 . . . . 74.329999999999998 111.399 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.58 -23.6 39.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.414 -0.357 . . . . 63.340000000000003 111.152 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.538 ' CD2' ' HB2' ' A' ' 88' ' ' GLU . 12.0 t80 -66.27 -19.53 65.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.83 -0.623 . . . . 72.319999999999993 110.844 -177.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -64.59 -37.63 88.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.108 -0.496 . . . . 73.310000000000002 110.842 176.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.621 ' HB3' HH21 ' A' ' 107' ' ' ARG . . . -76.71 -29.31 56.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.993 -0.549 . . . . 72.25 111.61 -175.399 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.6 p -80.74 -35.46 33.33 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.873 -0.331 . . . . 62.100000000000001 111.304 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 146.48 48.98 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 119.52 -1.324 . . . . 33.420000000000002 114.122 173.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.538 ' HB2' ' CD2' ' A' ' 83' ' ' PHE . 41.4 tt0 -81.13 -44.51 17.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.56 0.68 . . . . 71.549999999999997 109.341 171.223 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -90.55 126.2 35.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.398 -0.819 . . . . 61.210000000000001 109.216 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -73.27 125.52 27.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.938 0.399 . . . . 70.450000000000003 110.762 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ALA . . . . . 0.524 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -72.85 134.97 45.09 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.818 -0.628 . . . . 74.299999999999997 110.542 178.76 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -55.87 -64.08 0.97 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.76 -0.459 . . . . 72.540000000000006 109.76 175.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -147.78 -85.52 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.357 -0.838 . . . . 72.109999999999999 109.523 174.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -109.17 -30.06 8.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.555 -0.293 . . . . 61.5 111.413 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -52.67 -56.08 18.0 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.847 0.356 . . . . 72.239999999999995 111.926 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.524 ' HB ' ' HA ' ' A' ' 91' ' ' ALA . 1.3 m -68.33 -38.21 81.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.18 -0.464 . . . . 65.439999999999998 111.275 -176.844 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.631 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 27.4 mt-30 -68.16 -32.99 73.64 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.467 -0.333 . . . . 62.530000000000001 111.222 -178.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.73 -37.27 73.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.359 . . . . 62.020000000000003 110.706 177.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -69.13 -42.25 76.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.018 -0.537 . . . . 72.209999999999994 110.505 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.95 -21.46 66.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.964 -0.562 . . . . 62.329999999999998 111.677 -177.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.631 ' HG3' ' O ' ' A' ' 97' ' ' GLN . 88.1 mttt -82.43 -11.1 58.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.373 -0.376 . . . . 70.209999999999994 111.008 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 47.7 tp -117.77 -11.16 10.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 74.140000000000001 111.34 -177.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.455 ' SD ' ' HB2' ' A' ' 85' ' ' ALA . 24.6 ttt -63.57 -25.33 68.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.361 -0.381 . . . . 61.100000000000001 111.842 -174.56 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -49.68 -38.81 34.28 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.858 0.361 . . . . 61.439999999999998 111.677 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.434 HE21 ' C ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -68.95 -33.69 74.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.232 0.539 . . . . 62.32 110.774 179.295 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -80.86 -5.77 57.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.721 -0.672 . . . . 72.030000000000001 111.548 -177.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.621 HH21 ' HB3' ' A' ' 85' ' ' ALA . 25.0 mmt85 -56.43 155.16 7.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.341 0.591 . . . . 72.420000000000002 112.082 -177.162 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.7 69.75 2.98 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.654 -0.703 . . . . 74.219999999999999 111.825 177.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.849 HD11 ' HB3' ' A' ' 66' ' ' SER . 19.8 mt -64.94 -31.78 55.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.04 0.448 . . . . 73.310000000000002 110.906 -178.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -103.13 171.23 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.595 -0.73 . . . . 74.310000000000002 110.802 -177.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.563 ' N ' HD11 ' A' ' 72' ' ' ILE . 14.2 p -79.55 130.92 35.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.77 -0.65 . . . . 54.530000000000001 112.039 -173.383 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PHE . . . . . 0.539 ' O ' HG12 ' A' ' 74' ' ' ILE . 97.7 m-85 -109.03 171.9 7.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.705 -0.68 . . . . 75.120000000000005 109.366 173.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.0 118.55 32.84 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.451 0.643 . . . . 74.209999999999994 109.596 175.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -151.58 139.22 19.69 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.522 -0.763 . . . . 73.099999999999994 109.802 -175.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.0 p -74.49 98.21 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.901 0.858 . . . . 52.229999999999997 111.175 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.415 ' HE3' ' O ' ' A' ' 77' ' ' ASP . 73.3 mmtt -120.95 114.34 21.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.378 -0.828 . . . . 73.450000000000003 109.642 176.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 68.47 -178.97 0.22 Allowed 'General case' 0 C--O 1.233 0.206 0 O-C-N 124.022 0.826 . . . . 44.109999999999999 110.39 -175.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -136.09 5.21 3.03 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.448 -0.501 . . . . 71.129999999999995 110.82 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 m -84.94 -35.48 22.05 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.829 0.307 . . . . 72.239999999999995 111.829 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 69.08 155.03 0.84 Allowed Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.867 -0.682 . . . . 43.030000000000001 112.274 -174.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 4.5 m-20 -113.19 146.9 38.49 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.037 -0.727 . . . . 55.5 109.037 173.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLU . . . . . 0.63 ' HA ' ' HB3' ' A' ' 125' ' ' ASP . 44.1 mt-10 -75.73 -18.07 59.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.908 0.336 . . . . 72.219999999999999 111.908 -173.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -67.2 -36.94 82.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.419 -0.586 . . . . 74.040000000000006 109.419 170.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.495 ' OD1' ' HB3' ' A' ' 10' ' ' TYR . 7.8 t30 -77.95 -35.55 50.24 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.502 -0.772 . . . . 72.019999999999996 109.849 174.245 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.63 ' HB3' ' HA ' ' A' ' 122' ' ' GLU . 23.1 t70 -52.85 -37.14 59.87 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.571 -0.741 . . . . 74.239999999999995 112.507 -175.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -70.68 -45.86 64.25 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.512 -0.475 . . . . 74.409999999999997 111.221 -177.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.778 HG22 ' HB1' ' A' ' 23' ' ' ALA . 8.0 p -74.01 -29.02 24.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.132 0.492 . . . . 71.120000000000005 110.057 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -64.18 -49.32 72.53 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.778 -0.646 . . . . 64.209999999999994 109.418 174.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 44.2 ttm -56.05 -42.38 76.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.931 -1.031 . . . . 73.400000000000006 110.349 177.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.542 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 71.3 mmtt -54.74 -53.55 53.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 71.430000000000007 111.394 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.03 -45.16 74.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.115 -0.493 . . . . 75.530000000000001 111.542 -176.138 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -71.53 -35.38 70.66 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.51 0.559 . . . . 74.200000000000003 112.51 -173.534 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 68.9 p -73.09 -29.96 63.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.933 0.397 . . . . 70.340000000000003 110.481 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -74.23 -19.62 60.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 73.329999999999998 110.961 177.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 19' ' ' GLN . 84.7 mt -93.76 -17.84 22.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 73.340000000000003 110.574 177.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.516 ' O ' ' HD3' ' A' ' 138' ' ' ARG . . . 98.91 25.25 9.83 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.186 -1.007 . . . . 62.020000000000003 113.316 176.765 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 48.7 mm -80.61 119.96 31.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 117.21 0.505 . . . . 54.409999999999997 111.001 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 136' ' ' GLY . 0.4 OUTLIER -120.49 128.05 52.78 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.525 -0.307 . . . . 70.310000000000002 110.197 177.271 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 50.26 74.27 0.23 Allowed 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.687 0.617 . . . . 74.409999999999997 112.004 176.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -81.18 -68.03 0.73 Allowed 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.57 -0.529 . . . . 71.420000000000002 109.57 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -105.5 2.05 28.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.55 0.69 . . . . 75.530000000000001 109.491 178.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -80.82 99.4 8.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.514 -0.767 . . . . 74.239999999999995 110.063 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -169.49 136.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 74.129999999999995 110.614 -177.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -73.05 113.71 10.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.329 -0.396 . . . . 74.109999999999999 110.538 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 55.4 p-80 -145.88 133.54 21.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.863 0.364 . . . . 75.439999999999998 110.786 -177.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -93.85 -25.3 17.41 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.358 -0.608 . . . . 74.040000000000006 109.358 175.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 43.4 m80 . . . . . 0 C--O 1.246 0.908 0 CA-C-N 115.379 -0.828 . . . . 73.230000000000004 109.126 174.175 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.2 ttm . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 110.109 -0.33 . . . . 75.430000000000007 110.109 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -106.87 83.72 1.88 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.905 -0.776 . . . . 63.119999999999997 108.905 176.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -106.22 87.28 2.52 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.368 -0.833 . . . . 74.530000000000001 110.083 -172.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -106.53 6.8 30.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.707 -0.679 . . . . 73.219999999999999 110.047 -178.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.5 t -109.38 128.26 54.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.645 -0.707 . . . . 72.140000000000001 110.756 -176.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.458 ' H ' ' HB ' ' A' ' 70' ' ' VAL . 24.9 mm-40 54.91 83.01 0.09 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.946 -0.57 . . . . 63.409999999999997 111.508 177.388 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.766 ' HB2' HG22 ' A' ' 72' ' ' ILE . 65.5 m-85 -79.89 128.85 33.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.034 0.445 . . . . 74.040000000000006 111.101 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.401 ' HB2' HG13 ' A' ' 27' ' ' VAL . 64.1 m-20 -88.26 108.77 19.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.146 0.498 . . . . 73.329999999999998 110.469 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.539 ' O ' ' HB3' ' A' ' 73' ' ' ARG . 43.8 t -129.42 112.59 25.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.569 -0.741 . . . . 74.400000000000006 109.343 178.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -121.12 171.57 8.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.265 0.555 . . . . 71.040000000000006 111.675 -176.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.2 t -155.25 141.78 18.76 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.919 -1.037 . . . . 73.209999999999994 108.504 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -77.68 154.4 32.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.909 0.385 . . . . 73.150000000000006 110.812 -175.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.7 16.19 5.63 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.484 -0.865 . . . . 53.109999999999999 112.918 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.9 p -92.75 118.49 31.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.278 0.561 . . . . 51.43 110.385 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -108.53 142.97 38.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.926 -0.579 . . . . 71.230000000000004 109.732 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.4 p -134.23 139.88 47.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.422 -0.354 . . . . 62.210000000000001 110.116 -176.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.0 m120 58.96 26.95 15.64 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.92 0.39 . . . . 65.310000000000002 110.912 -177.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.24 13.59 70.52 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.848 -0.691 . . . . 42.350000000000001 112.349 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.519 ' HB3' HD22 ' A' ' 135' ' ' LEU . 54.8 mt-30 -105.79 139.35 40.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 75.420000000000002 110.562 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -143.22 157.42 44.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.972 -0.558 . . . . 73.439999999999998 109.849 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.58 169.36 19.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.103 -0.499 . . . . 64.150000000000006 109.784 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 65.1 p-90 -95.75 131.04 42.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.504 -0.554 . . . . 74.430000000000007 109.504 177.075 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.519 ' HB1' HG22 ' A' ' 127' ' ' VAL . . . -137.61 136.79 37.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.021 -0.536 . . . . 64.400000000000006 110.627 -176.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -135.25 138.68 43.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.097 0.475 . . . . 71.109999999999999 110.935 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.71 115.69 11.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.595 -0.73 . . . . 61.210000000000001 110.087 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.564 ' HB2' ' HB2' ' A' ' 34' ' ' TYR . 90.4 m-85 -85.16 109.29 18.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.912 -0.585 . . . . 73.219999999999999 110.064 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.401 HG13 ' HB2' ' A' ' 8' ' ' ASP . 2.6 p -108.39 122.91 63.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.567 -0.742 . . . . 63.119999999999997 111.597 -175.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -127.59 135.19 49.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.504 -0.771 . . . . 54.229999999999997 109.235 177.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 66.89 14.8 9.97 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.504 0.502 . . . . 73.230000000000004 110.556 -179.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.85 0.08 86.05 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.692 -0.766 . . . . 55.299999999999997 112.15 -176.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.758 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -109.76 142.34 41.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 75.349999999999994 110.554 179.198 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.4 t -89.27 120.16 37.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.286 -0.415 . . . . 74.450000000000003 109.951 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 47.4 m80 -103.98 -33.97 8.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.85 0.357 . . . . 72.129999999999995 111.243 -177.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.564 ' HB2' ' HB2' ' A' ' 26' ' ' PHE . 98.0 m-85 -122.64 140.98 52.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.869 -0.419 . . . . 71.109999999999999 109.869 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -149.73 133.78 17.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.199 -0.455 . . . . 72.340000000000003 110.552 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -164.19 160.21 21.04 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.009 0.433 . . . . 74.430000000000007 110.832 174.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -169.6 140.23 2.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.531 -0.759 . . . . 62.520000000000003 109.631 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -159.15 176.38 12.31 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.488 -0.56 . . . . 72.120000000000005 109.488 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 t -120.69 154.28 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.683 0.278 . . . . 74.439999999999998 110.556 -175.646 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.92 138.82 10.39 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.959 -0.639 . . . . 60.020000000000003 113.063 176.271 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -133.36 103.14 5.82 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.824 -0.435 . . . . 75.430000000000007 109.824 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -119.98 159.58 46.4 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.372 -0.377 . . . . 74.230000000000004 110.176 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.91 -34.22 96.67 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.545 2.163 . . . . 75.430000000000007 112.001 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.57 -12.54 59.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 62.119999999999997 111.076 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.493 ' HB1' ' HE2' ' A' ' 48' ' ' MET . . . -90.11 5.59 46.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 44.100000000000001 110.983 -177.318 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.13 -28.64 69.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.266 0.555 . . . . 51.049999999999997 110.29 176.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.6 m -93.64 -45.48 7.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.672 -0.694 . . . . 65.530000000000001 109.74 174.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.493 ' HE2' ' HB1' ' A' ' 45' ' ' ALA . 54.1 tpp 71.72 -61.06 0.5 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.017 -0.992 . . . . 72.129999999999995 111.84 176.475 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -178.44 -162.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.168 -0.679 . . . . 74.530000000000001 109.168 -173.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -56.5 -22.98 36.35 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.864 0.364 . . . . 75.040000000000006 110.862 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.457 ' O ' HG12 ' A' ' 55' ' ' ILE . 31.8 t -51.21 -34.56 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 115.649 -0.705 . . . . 74.129999999999995 111.965 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.13 78.52 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.759 0.314 . . . . 72.239999999999995 111.199 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.58 -34.68 56.62 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.553 -0.832 . . . . 63.32 111.676 177.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -68.97 -42.97 75.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.645 0.26 . . . . 61.439999999999998 110.923 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 51' ' ' VAL . 29.3 pt -69.73 -31.68 49.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 72.439999999999998 110.793 178.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.16 -36.42 83.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 73.530000000000001 110.645 175.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.416 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . . . -66.22 -36.85 84.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.136 0.493 . . . . 64.129999999999995 110.649 176.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.17 -26.86 62.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.785 -0.643 . . . . 73.5 110.435 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.6 tp -64.37 -34.08 77.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.83 -0.623 . . . . 70.040000000000006 110.306 178.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 57' ' ' ALA . 22.8 m-85 -62.95 -33.23 74.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 65.310000000000002 110.333 177.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.4 -38.77 78.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 63.030000000000001 110.319 178.149 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.34 -38.67 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.354 0.597 . . . . 75.040000000000006 110.072 176.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -63.57 -36.34 83.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.429 -0.805 . . . . 74.129999999999995 110.114 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -75.16 -39.72 60.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 65.420000000000002 111.028 176.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.427 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -54.4 -35.66 63.11 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.817 0.673 . . . . 74.409999999999997 112.817 -173.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.884 ' HB2' HD11 ' A' ' 109' ' ' ILE . 12.6 t -61.46 -29.55 70.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.082 0.468 . . . . 64.109999999999999 110.885 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 46.5 mt-30 -82.42 -23.27 34.95 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.093 -0.503 . . . . 63.210000000000001 110.605 -177.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.6 mp -87.13 -25.25 24.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.902 -0.59 . . . . 63.340000000000003 110.257 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.34 21.87 39.65 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.909 -0.662 . . . . 60.43 111.91 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.458 ' HB ' ' H ' ' A' ' 6' ' ' GLU . 35.3 m -108.33 153.75 9.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 110.184 -0.302 . . . . 73.420000000000002 110.184 -179.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.542 ' HD2' ' N ' ' A' ' 71' ' ' LYS . 8.7 mptt -117.05 176.24 5.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.479 0.657 . . . . 72.439999999999998 111.072 -175.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.766 HG22 ' HB2' ' A' ' 7' ' ' TYR . 39.1 pt -124.06 161.13 27.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.348 -0.842 . . . . 53.399999999999999 109.007 173.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.539 ' HB3' ' O ' ' A' ' 9' ' ' VAL . 1.1 tmm_? -76.39 102.59 6.01 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.472 -0.936 . . . . 75.430000000000007 108.472 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.834 HD13 ' HB2' ' A' ' 110' ' ' TYR . 6.0 tp -82.77 136.08 23.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.469 0.652 . . . . 72.329999999999998 112.271 -172.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.494 HD13 ' N ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -128.15 -168.54 1.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.525 -0.762 . . . . 71.239999999999995 110.003 174.824 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -96.68 87.69 4.42 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.833 -0.432 . . . . 73.219999999999999 109.833 178.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -84.31 174.71 9.92 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.436 -0.802 . . . . 70.219999999999999 110.806 -175.018 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -78.83 140.09 38.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.214 -0.448 . . . . 71.420000000000002 110.003 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.86 -13.21 42.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.054 -0.521 . . . . 64.140000000000001 112.354 -176.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -51.04 -51.31 35.58 Favored Glycine 0 CA--C 1.52 0.402 0 O-C-N 123.346 0.404 . . . . 64.409999999999997 113.477 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.1 tt -76.44 -22.42 15.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 121.269 0.557 . . . . 73.319999999999993 110.717 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.88 12.35 17.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.034 -0.53 . . . . 74.420000000000002 111.46 -176.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.452 ' HA ' ' OG1' ' A' ' 86' ' ' THR . 21.2 p90 -57.12 -22.82 42.73 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.082 -0.508 . . . . 75.430000000000007 111.846 -176.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -71.01 -32.18 68.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.354 -0.385 . . . . 74.129999999999995 110.624 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.87 -28.61 20.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.017 0.437 . . . . 61.130000000000003 110.831 -178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.452 ' OG1' ' HA ' ' A' ' 83' ' ' PHE . 35.8 p -82.8 -38.26 23.37 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.159 0.504 . . . . 73.340000000000003 110.8 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.74 25.45 71.96 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 121.024 -0.608 . . . . 72.140000000000001 111.658 -178.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -67.06 -23.96 65.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.916 0.388 . . . . 75.200000000000003 110.854 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 7.3 t90 -99.02 132.07 44.6 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.318 -1.364 . . . . 72.409999999999997 107.318 167.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -56.53 138.26 52.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.435 0.636 . . . . 64.219999999999999 112.509 -170.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.64 149.52 48.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.259 -0.882 . . . . 70.430000000000007 111.17 -177.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.715 ' HA ' ' HE3' ' A' ' 92' ' ' LYS . 0.9 OUTLIER -56.88 -51.24 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.842 -0.617 . . . . 65.109999999999999 109.88 179.657 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -164.11 -59.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.552 -0.749 . . . . 72.519999999999996 109.893 175.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -137.19 -44.26 0.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 72.510000000000005 111.31 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -52.77 -49.08 66.25 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.329 -0.396 . . . . 63.420000000000002 111.813 -173.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -36.46 84.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.925 0.393 . . . . 75.409999999999997 111.098 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLN . . . . . 0.57 ' OE1' ' HE3' ' A' ' 101' ' ' LYS . 5.6 mm-40 -70.11 -47.9 59.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.998 -0.547 . . . . 61.109999999999999 110.771 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.38 -38.07 82.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.078 -0.51 . . . . 71.310000000000002 111.058 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -72.17 -30.43 64.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.277 -0.419 . . . . 75.0 111.273 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.88 -41.15 64.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 43.310000000000002 110.496 175.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.57 ' HE3' ' OE1' ' A' ' 97' ' ' GLN . 35.0 mmtp -63.03 -48.24 79.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.047 -0.524 . . . . 65.239999999999995 110.248 177.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.642 ' O ' ' HG2' ' A' ' 105' ' ' GLN . 9.3 mp -92.66 41.41 1.07 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.759 -0.655 . . . . 60.130000000000003 111.032 -179.314 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' MET . . . . . 0.536 ' HA ' ' CZ ' ' A' ' 106' ' ' TYR . 25.6 ptt? -52.07 -27.66 14.66 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.552 -0.295 . . . . 72.450000000000003 111.676 176.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -59.82 -28.54 67.56 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.378 -0.374 . . . . 73.420000000000002 111.999 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.642 ' HG2' ' O ' ' A' ' 102' ' ' LEU . 14.0 pt20 -58.6 -39.13 79.55 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.544 0.211 . . . . 52.020000000000003 111.524 -176.232 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' TYR . . . . . 0.536 ' CZ ' ' HA ' ' A' ' 103' ' ' MET . 6.3 p90 -97.74 7.11 46.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.015 0.436 . . . . 72.109999999999999 111.361 177.241 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 61.2 mmt-85 -80.2 116.22 20.18 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.128 -0.693 . . . . 72.230000000000004 109.128 169.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 162.13 -46.59 0.35 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.882 -0.675 . . . . 70.439999999999998 111.502 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.884 HD11 ' HB2' ' A' ' 66' ' ' SER . 2.7 mp -71.34 -33.74 51.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.452 -0.944 . . . . 63.409999999999997 108.452 173.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.834 ' HB2' HD13 ' A' ' 74' ' ' ILE . 12.9 p90 -149.46 146.04 27.22 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 114.659 -1.155 . . . . 73.340000000000003 109.438 177.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.6 p -161.23 130.0 4.53 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.971 -0.751 . . . . 51.539999999999999 108.971 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -112.47 137.64 50.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.465 0.65 . . . . 70.219999999999999 111.992 -171.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -129.7 155.59 45.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.813 -1.085 . . . . 72.519999999999996 109.063 175.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -70.52 90.51 0.74 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.301 0.572 . . . . 72.219999999999999 109.513 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 29.1 m -118.77 161.24 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.612 -0.722 . . . . 71.140000000000001 110.469 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.675 ' HD2' ' H ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -75.98 157.36 33.19 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 116.112 -0.495 . . . . 75.530000000000001 110.174 178.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.37 108.48 4.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.968 -0.56 . . . . 74.420000000000002 110.956 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -130.58 14.28 5.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.283 0.563 . . . . 75.010000000000005 110.195 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.2 p -106.13 22.92 14.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.512 -0.767 . . . . 43.43 110.463 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -77.59 57.95 3.79 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.968 -0.56 . . . . 65.420000000000002 112.65 -177.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -71.8 167.13 20.6 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 122.743 0.417 . . . . 74.129999999999995 110.409 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -61.42 -19.44 61.95 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.868 -0.605 . . . . 65.010000000000005 112.053 -176.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -71.15 -28.25 64.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.516 -0.311 . . . . 73.219999999999999 111.761 -177.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -66.12 -29.13 69.38 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.635 0.255 . . . . 72.319999999999993 111.357 -175.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.78 -26.05 66.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 60.43 110.903 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -72.17 -48.7 41.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.041 -0.527 . . . . 73.230000000000004 110.785 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.519 HG22 ' HB1' ' A' ' 23' ' ' ALA . 10.9 p -76.78 -21.44 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 121.163 0.506 . . . . 52.140000000000001 110.092 -179.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -54.35 -40.45 68.1 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.439 -0.8 . . . . 52.409999999999997 110.902 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 52.6 ttp -56.74 -44.87 82.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.874 -0.603 . . . . 73.140000000000001 111.053 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -70.86 -34.99 72.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.213 -0.449 . . . . 72.329999999999998 110.405 -176.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.38 -47.36 56.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.078 -0.51 . . . . 74.329999999999998 111.378 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LYS . . . . . 0.627 ' HD3' HD12 ' A' ' 135' ' ' LEU . 25.8 mmtp -67.6 -29.39 68.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.391 -0.368 . . . . 74.430000000000007 111.425 -176.424 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 52.4 m -64.11 -33.88 76.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.88 0.371 . . . . 64.239999999999995 110.691 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.12 -15.36 59.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.127 0.489 . . . . 70.120000000000005 111.058 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.627 HD12 ' HD3' ' A' ' 132' ' ' LYS . 96.5 mt -89.01 -10.96 45.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.181 0.515 . . . . 73.530000000000001 110.129 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 101.08 21.15 12.18 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.497 -0.858 . . . . 75.420000000000002 112.427 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' A' ' 135' ' ' LEU . 1.9 mp -88.56 133.61 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.482 -0.562 . . . . 62.439999999999998 109.482 176.384 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 137' ' ' ILE . 64.0 mtp180 70.88 53.96 0.26 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.742 0.651 . . . . 60.420000000000002 111.122 -177.791 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -86.07 141.0 29.76 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.838 -0.619 . . . . 75.129999999999995 110.156 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 93.1 mt -91.94 -73.31 0.55 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.109 0.481 . . . . 55.409999999999997 110.73 -177.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -115.72 -20.88 9.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.962 -0.563 . . . . 65.349999999999994 111.088 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -79.76 91.83 5.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.225 0.536 . . . . 62.329999999999998 110.749 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -152.02 -55.87 0.14 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.145 -0.934 . . . . 74.450000000000003 108.509 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -158.8 130.18 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.605 -0.887 . . . . 74.329999999999998 108.605 170.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -119.83 93.03 3.93 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.469 -0.493 . . . . 74.420000000000002 110.352 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' HIS . . . . . 0.422 ' HB3' ' H ' ' A' ' 147' ' ' HIS . 1.5 m170 174.17 -158.15 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.874 -1.158 . . . . 73.319999999999993 107.874 -176.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' HIS . . . . . 0.422 ' H ' ' HB3' ' A' ' 146' ' ' HIS . 32.7 m170 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.279 -0.867 . . . . 62.219999999999999 109.385 173.071 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.754 0.311 . . . . 73.129999999999995 110.612 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -149.63 -39.68 0.15 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.312 -0.625 . . . . 72.340000000000003 109.312 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 67.16 85.38 0.14 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.828 -1.078 . . . . 55.310000000000002 111.918 177.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -115.34 4.63 14.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.447 0.641 . . . . 63.25 109.991 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.9 p -125.38 96.22 4.74 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.717 -0.674 . . . . 73.450000000000003 111.322 -177.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.488 ' H ' HG11 ' A' ' 70' ' ' VAL . 39.0 tt0 68.51 124.17 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.908 0.755 . . . . 62.100000000000001 112.127 176.408 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.619 ' HB2' HG22 ' A' ' 72' ' ' ILE . 97.5 m-85 -94.11 129.5 40.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.953 -0.567 . . . . 75.219999999999999 109.989 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -94.1 126.43 39.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.123 0.487 . . . . 64.219999999999999 110.11 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.568 ' HB ' ' O ' ' A' ' 73' ' ' ARG . 45.5 t -130.38 134.8 61.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.648 -0.706 . . . . 75.099999999999994 109.228 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 25' ' ' ALA . 53.9 p90 -122.28 152.94 39.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.018 0.437 . . . . 72.439999999999998 110.726 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.746 HG21 ' HB3' ' A' ' 75' ' ' LEU . 10.0 t -160.41 179.57 8.52 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.432 -0.804 . . . . 51.520000000000003 109.126 -176.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 t70 67.8 154.53 0.1 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.907 0.754 . . . . 73.349999999999994 110.879 -174.444 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.55 -74.22 0.07 OUTLIER Glycine 0 N--CA 1.442 -0.958 0 C-N-CA 120.184 -1.007 . . . . 72.209999999999994 112.627 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 t -129.49 118.0 21.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.264 0.554 . . . . 62.119999999999997 112.366 -172.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -122.61 106.59 11.11 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.321 -1.362 . . . . 71.549999999999997 107.321 167.106 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.8 p -141.56 139.85 31.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.822 0.344 . . . . 74.530000000000001 111.265 -173.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 88.2 m-20 61.92 28.46 17.34 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.696 -0.684 . . . . 72.140000000000001 111.866 174.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.88 7.92 86.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.616 -0.802 . . . . 34.149999999999999 112.562 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 1.056 ' HB3' ' HG ' ' A' ' 135' ' ' LEU . 77.1 mm-40 -93.98 132.78 38.11 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.711 -0.477 . . . . 74.519999999999996 109.711 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -147.4 154.47 40.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.888 0.375 . . . . 75.109999999999999 110.376 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 38' ' ' ASP . . . -155.4 169.47 24.15 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.794 -0.639 . . . . 51.509999999999998 109.742 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TRP . . . . . 0.713 ' CD1' ' HB3' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -94.01 130.34 40.17 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.643 -1.243 . . . . 64.099999999999994 107.643 177.542 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.23 133.75 30.11 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 120.203 -0.599 . . . . 42.210000000000001 110.588 177.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.407 ' HE1' HD22 ' A' ' 75' ' ' LEU . 93.1 m-85 -150.06 147.86 28.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.005 -0.543 . . . . 74.129999999999995 109.744 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 10' ' ' TYR . . . -148.45 124.09 10.46 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.135 -0.484 . . . . 72.010000000000005 110.118 174.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -90.97 112.62 24.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.614 -0.721 . . . . 60.009999999999998 109.421 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.03 124.83 59.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.57 0.7 . . . . 62.350000000000001 111.934 -172.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.543 ' HB2' ' HZ2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -170.19 156.4 5.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.976 -1.011 . . . . 72.129999999999995 108.498 177.743 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 77.33 17.56 1.5 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.56 0.744 . . . . 73.239999999999995 109.975 -176.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.87 2.91 89.05 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.891 -0.595 . . . . 73.140000000000001 112.471 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.67 179.89 7.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.712 0.291 . . . . 33.109999999999999 110.655 -177.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.552 HG11 ' HB2' ' A' ' 35' ' ' GLU . 53.3 t -79.34 115.71 22.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.779 -0.452 . . . . 61.109999999999999 109.779 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -79.58 -33.71 41.45 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.766 -0.457 . . . . 74.319999999999993 109.766 -177.599 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -156.77 144.47 19.2 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.963 -0.562 . . . . 73.510000000000005 110.814 174.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.552 ' HB2' HG11 ' A' ' 32' ' ' VAL . 17.3 tt0 -150.18 132.88 15.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.647 -0.706 . . . . 51.43 110.421 -175.553 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -165.83 163.91 18.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.803 -0.443 . . . . 71.420000000000002 109.803 174.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.75 125.34 6.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.867 -0.151 . . . . 61.149999999999999 111.403 -176.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.713 ' HB3' ' CD1' ' A' ' 22' ' ' TRP . 40.7 t0 -90.26 163.93 14.58 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.994 -0.743 . . . . 71.409999999999997 108.994 174.692 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.735 HG23 ' HG3' ' A' ' 41' ' ' LYS . 8.1 m -92.04 152.36 3.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 110.251 -0.277 . . . . 70.319999999999993 110.251 177.142 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.5 75.93 0.82 Allowed Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 121.064 -0.589 . . . . 73.450000000000003 113.334 -174.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.735 ' HG3' HG23 ' A' ' 39' ' ' VAL . 13.8 mtpp -124.25 -169.98 2.06 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.303 -0.999 . . . . 72.239999999999995 108.303 176.082 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -76.81 143.72 71.64 Favored Pre-proline 0 C--N 1.317 -0.812 0 C-N-CA 120.887 -0.325 . . . . 71.510000000000005 110.16 176.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.468 ' HG3' ' HB3' ' A' ' 83' ' ' PHE . 20.5 Cg_endo -61.35 -22.63 75.09 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.182 2.588 . . . . 74.310000000000002 113.1 -175.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.4 -18.44 58.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.445 -0.343 . . . . 63.119999999999997 111.029 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.09 -69.31 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.087 0.47 . . . . 70.099999999999994 111.498 -177.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.66 -44.06 14.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.847 -0.615 . . . . 71.340000000000003 111.95 -173.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.63 14.04 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.499 0.666 . . . . 74.230000000000004 111.634 -174.337 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 54.5 ttm -99.17 100.66 11.8 Favored 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 107.265 -1.383 . . . . 62.229999999999997 107.265 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.636 ' HG3' ' H ' ' A' ' 50' ' ' ASN . 8.6 tpp180 78.64 -170.07 0.05 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 113.816 -1.538 . . . . 74.019999999999996 108.769 -174.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.636 ' H ' ' HG3' ' A' ' 49' ' ' ARG . 76.7 m-20 71.69 -85.3 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 122.818 0.447 . . . . 74.340000000000003 110.997 178.32 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.639 HG21 ' HB2' ' A' ' 38' ' ' ASP . 19.7 t -64.22 -35.92 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.030000000000001 111.142 -174.099 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.42 -27.29 64.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.808 -0.633 . . . . 72.109999999999999 111.868 -176.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.34 -43.79 36.83 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.673 -0.775 . . . . 62.119999999999997 112.27 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.31 -29.4 67.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.832 0.349 . . . . 62.130000000000003 111.449 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 51' ' ' VAL . 47.0 mm -71.42 -29.52 35.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.46 -0.337 . . . . 75.230000000000004 111.033 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.37 -36.47 63.9 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.608 0.596 . . . . 43.450000000000003 112.608 -174.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.11 -36.73 84.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.928 0.394 . . . . 75.510000000000005 111.167 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -74.84 -25.78 59.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.107 -0.497 . . . . 73.010000000000005 110.461 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.51 HD21 ' HE3' ' A' ' 63' ' ' LYS . 7.3 tt -63.26 -35.43 80.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.984 -0.553 . . . . 74.430000000000007 110.373 178.724 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -67.33 -37.44 83.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.251 -0.432 . . . . 74.209999999999994 110.336 176.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.55 97.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.508 . . . . 74.219999999999999 110.411 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.497 HG13 ' HB ' ' A' ' 109' ' ' ILE . 98.2 t -62.44 -39.29 83.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 115.901 -0.59 . . . . 70.219999999999999 110.422 176.427 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.51 ' HE3' HD21 ' A' ' 59' ' ' LEU . 88.5 mttt -59.54 -46.45 88.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 74.530000000000001 111.112 177.356 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' O ' HD13 ' A' ' 68' ' ' LEU . 48.2 mtpt -68.55 -28.71 67.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.555 -0.293 . . . . 72.25 111.228 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.42 ' HB3' HG21 ' A' ' 109' ' ' ILE . . . -61.55 -28.72 69.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.454 -0.339 . . . . 75.219999999999999 111.14 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.672 ' HA ' HD11 ' A' ' 109' ' ' ILE . 23.0 t -66.15 -39.64 89.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.008 0.432 . . . . 74.340000000000003 110.037 178.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -70.51 -41.66 72.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.972 -0.558 . . . . 71.549999999999997 109.978 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 64' ' ' LYS . 8.1 mp -68.67 -23.27 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.416 -0.811 . . . . 64.340000000000003 110.913 179.223 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.92 34.75 29.7 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.032 -0.604 . . . . 41.399999999999999 112.554 176.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.488 HG11 ' H ' ' A' ' 6' ' ' GLU . 27.7 m -123.62 170.64 13.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.812 0.339 . . . . 60.43 110.862 -178.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -115.58 163.35 15.9 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.565 -0.531 . . . . 75.319999999999993 109.565 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.619 HG22 ' HB2' ' A' ' 7' ' ' TYR . 2.6 pp -108.25 158.41 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.752 -0.379 . . . . 65.349999999999994 110.347 174.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.568 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 97.3 mtt180 -91.99 108.82 20.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.313 0.577 . . . . 72.129999999999995 111.121 -178.058 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.678 HD11 ' HD2' ' A' ' 78' ' ' TYR . 15.5 tt -115.8 143.04 26.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.321 -0.854 . . . . 73.219999999999999 110.636 -176.617 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.746 ' HB3' HG21 ' A' ' 11' ' ' THR . 2.7 pt? -58.28 173.68 0.35 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.571 0.701 . . . . 55.149999999999999 112.356 -178.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -95.82 151.06 19.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.612 -0.722 . . . . 73.329999999999998 110.037 -177.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 54.47 71.74 0.51 Allowed 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.784 0.678 . . . . 72.329999999999998 111.798 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TYR . . . . . 0.678 ' HD2' HD11 ' A' ' 74' ' ' ILE . 0.6 OUTLIER -83.55 79.65 9.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.212 -0.449 . . . . 74.329999999999998 109.843 179.742 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.13 -15.28 61.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.035 0.445 . . . . 61.409999999999997 111.192 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.406 ' HA2' ' HD2' ' A' ' 83' ' ' PHE . . . -63.87 -22.42 66.46 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.928 -0.578 . . . . 74.319999999999993 113.195 -177.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 78' ' ' TYR . 37.2 pt -66.39 -26.24 37.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.886 0.343 . . . . 72.120000000000005 111.061 -179.39 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.601 ' HB1' ' HA ' ' A' ' 90' ' ' LYS . . . -70.58 -33.96 71.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.078 0.466 . . . . 64.150000000000006 110.238 178.497 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.778 ' HA ' ' HA2' ' A' ' 87' ' ' GLY . 96.8 m-85 -76.95 -30.51 56.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.707 -0.678 . . . . 63.119999999999997 110.198 178.583 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -71.5 -39.97 70.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.895 -0.593 . . . . 72.329999999999998 109.974 176.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.8 -55.37 30.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.704 -0.68 . . . . 73.109999999999999 110.899 177.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.447 HG23 ' H ' ' A' ' 87' ' ' GLY . 6.2 t -136.14 -57.35 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.541 -0.299 . . . . 63.43 111.064 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.778 ' HA2' ' HA ' ' A' ' 83' ' ' PHE . . . 118.77 -54.17 0.64 Allowed Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.237 -0.982 . . . . 33.210000000000001 113.548 176.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.22 -52.4 54.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.776 0.288 . . . . 73.129999999999995 111.423 -175.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 32.3 p90 -115.97 162.02 17.98 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.013 -0.366 . . . . 72.129999999999995 110.013 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LYS . . . . . 0.601 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 87.1 mttt -96.42 123.95 40.25 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.129 -0.487 . . . . 52.539999999999999 111.353 -174.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.82 88.76 1.03 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.754 -0.657 . . . . 53.109999999999999 110.395 177.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -107.35 -58.88 1.9 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.137 -0.483 . . . . 70.209999999999994 110.505 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -148.12 101.63 3.3 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.365 -0.605 . . . . 61.210000000000001 109.365 172.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.851 ' HB3' HG22 ' A' ' 96' ' ' THR . 28.3 tt0 -178.96 167.7 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.057 -0.72 . . . . 64.510000000000005 109.057 -172.251 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -54.43 -29.57 49.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.007 0.432 . . . . 73.409999999999997 111.169 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.851 HG22 ' HB3' ' A' ' 94' ' ' GLU . 7.2 t -54.09 -27.94 36.05 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.601 -0.727 . . . . 62.439999999999998 111.864 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -60.23 -32.82 71.49 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 120.699 0.285 . . . . 61.539999999999999 111.388 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.67 -33.02 71.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.127 0.489 . . . . 63.32 110.479 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -79.32 -36.3 39.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.132 -0.485 . . . . 73.540000000000006 110.353 176.643 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.0 -20.59 66.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 54.229999999999997 111.123 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.645 ' HA ' ' HB3' ' A' ' 104' ' ' ASN . 22.5 ttmt -75.79 -2.57 30.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 50.299999999999997 110.808 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.59 -51.16 68.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.651 -0.87 . . . . 65.420000000000002 108.651 172.064 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 17.2 tpt -73.09 -30.13 63.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.305 0.574 . . . . 71.420000000000002 110.173 176.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.645 ' HB3' ' HA ' ' A' ' 101' ' ' LYS . 18.8 t-20 -63.92 -22.62 67.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.619 -0.719 . . . . 62.039999999999999 111.27 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -57.81 -34.53 69.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.802 -0.636 . . . . 75.409999999999997 110.376 174.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -82.72 -20.8 35.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.097 0.475 . . . . 62.109999999999999 110.397 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.494 ' HA ' ' CE1' ' A' ' 110' ' ' TYR . 4.1 tmt_? -60.68 137.96 58.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.868 -0.605 . . . . 64.430000000000007 110.352 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 168.41 -52.63 0.22 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.957 -0.639 . . . . 74.420000000000002 111.611 -177.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ILE . . . . . 0.672 HD11 ' HA ' ' A' ' 66' ' ' SER . 39.9 mm -81.92 -36.63 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.065 0.46 . . . . 41.119999999999997 110.108 176.321 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.494 ' CE1' ' HA ' ' A' ' 107' ' ' ARG . 28.8 p90 -97.84 143.49 28.4 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.041 -0.726 . . . . 71.109999999999999 109.041 171.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.5 p -173.68 130.06 0.42 Allowed 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.974 -0.75 . . . . 70.219999999999999 108.974 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -101.74 137.55 39.9 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.265 0.555 . . . . 73.450000000000003 111.09 -173.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -131.66 149.96 52.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.099 -0.955 . . . . 71.040000000000006 108.983 177.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -86.94 79.07 8.87 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 121.628 0.728 . . . . 62.039999999999999 109.996 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 35.6 m -126.66 163.05 29.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 114.685 -1.143 . . . . 73.25 109.158 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LYS . . . . . 0.686 ' HD3' ' O ' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -70.44 130.04 40.87 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.459 -0.571 . . . . 71.540000000000006 109.459 175.724 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 177.71 75.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 71.200000000000003 111.422 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -144.99 21.9 1.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.358 0.599 . . . . 72.319999999999993 109.953 171.361 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.1 m -104.82 35.2 2.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.559 -0.746 . . . . 64.319999999999993 110.35 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -78.06 -135.25 0.87 Allowed Glycine 0 CA--C 1.519 0.343 0 C-N-CA 121.094 -0.574 . . . . 31.510000000000002 113.692 -174.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -86.45 162.6 18.03 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.202 -0.296 . . . . 71.420000000000002 110.202 -175.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -74.99 5.0 5.64 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.925 0.393 . . . . 74.519999999999996 111.427 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 10' ' ' TYR . 40.4 m-85 -60.69 -23.5 64.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.972 -0.558 . . . . 73.019999999999996 110.62 172.117 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASN . . . . . 0.478 ' HA ' HG12 ' A' ' 127' ' ' VAL . 31.2 p-10 -61.14 -28.57 69.21 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.971 0.415 . . . . 64.239999999999995 110.417 176.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 128' ' ' ASP . 21.7 t70 -75.97 -33.29 59.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.566 0.698 . . . . 71.430000000000007 110.305 174.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' TYR . . . . . 0.417 ' HB3' ' O ' ' A' ' 123' ' ' PHE . 44.1 t80 -65.03 -41.92 94.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.201 -0.909 . . . . 71.409999999999997 110.443 177.34 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' VAL . . . . . 0.478 HG12 ' HA ' ' A' ' 124' ' ' ASN . 12.4 p -77.22 -20.26 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 120.902 0.382 . . . . 73.140000000000001 110.578 177.429 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ASP . . . . . 0.488 ' HB3' ' O ' ' A' ' 125' ' ' ASP . 5.6 t70 -60.66 -43.75 97.25 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.053 0.454 . . . . 75.310000000000002 110.325 174.243 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 71.7 mtm -66.86 -32.94 74.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.816 -0.629 . . . . 73.549999999999997 110.422 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -60.68 -48.58 81.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 64.140000000000001 110.451 174.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.26 -39.94 80.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.998 -0.547 . . . . 73.140000000000001 111.119 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -55.41 -50.23 70.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.415 0.626 . . . . 74.239999999999995 110.561 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.9 t -74.73 -32.49 62.13 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.255 -0.884 . . . . 41.329999999999998 110.96 -174.144 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.7 -31.34 72.22 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.643 0.608 . . . . 70.030000000000001 112.643 -174.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 1.056 ' HG ' ' HB3' ' A' ' 19' ' ' GLN . 3.7 mm? -83.83 -8.31 59.25 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.061 -0.255 . . . . 73.349999999999994 111.072 -175.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 116.36 4.8 17.52 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.036 -1.078 . . . . 52.329999999999998 113.152 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 48.8 mt -89.58 90.12 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.418 -0.586 . . . . 74.519999999999996 109.418 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ARG . . . . . 0.451 ' HA ' ' HD2' ' A' ' 138' ' ' ARG . 8.2 tpt180 -96.36 138.88 33.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.823 -0.626 . . . . 65.510000000000005 110.758 -174.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 55.69 89.7 0.04 OUTLIER 'General case' 0 CA--C 1.518 -0.28 0 O-C-N 124.106 0.879 . . . . 63.409999999999997 111.947 -178.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.71 -27.21 67.44 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.94 -1.027 . . . . 52.130000000000003 109.949 177.53 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -66.43 -26.13 67.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.405 -0.816 . . . . 64.519999999999996 111.714 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -85.57 87.1 7.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.973 0.415 . . . . 74.439999999999998 109.968 -178.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -164.06 159.66 20.79 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.416 -0.811 . . . . 64.420000000000002 109.379 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -135.76 102.48 5.09 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.906 -0.405 . . . . 73.230000000000004 109.906 175.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -77.79 120.32 22.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.217 0.532 . . . . 75.120000000000005 110.728 -177.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -68.48 -38.12 80.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.538 -0.912 . . . . 75.530000000000001 108.538 172.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 5.2 m80 . . . . . 0 C--O 1.246 0.918 0 CA-C-N 114.828 -1.078 . . . . 71.430000000000007 109.265 173.151 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 . . . . . 0 N--CA 1.462 0.144 0 CA-C-O 120.959 0.409 . . . . 72.44 111.239 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -74.26 -23.58 59.15 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.496 0.665 . . . . 74.33 110.093 172.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.1 p -94.79 93.74 7.67 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.382 -0.826 . . . . 63.35 111.202 -176.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 57.21 173.88 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 O-C-N 124.2 0.938 . . . . 51.42 113.008 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -137.16 143.11 42.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.929 -1.032 . . . . 73.54 108.474 172.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.484 ' HB2' HG13 ' A' ' 27' ' ' VAL . 18.0 m-20 -113.64 138.86 49.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.849 0.357 . . . . 64.22 110.316 -177.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.7 t -128.82 111.02 22.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.594 -0.521 . . . . 74.42 109.594 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.777 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 47.9 m-85 -86.26 126.85 34.58 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.799 -0.445 . . . . 75.32 109.799 177.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.471 HG21 HG13 ' A' ' 74' ' ' ILE . 14.9 t -152.1 12.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.303 -0.408 . . . . 63.44 111.596 -175.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.421 ' HB3' HD21 ' A' ' 124' ' ' ASN . 36.2 t70 -85.96 79.03 9.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.431 0.634 . . . . 75.35 110.788 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.66 108.47 3.67 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.088 -1.205 . . . . 73.33 110.088 171.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.4 p -58.01 120.75 9.1 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.094 0.473 . . . . 73.14 111.445 -176.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -69.13 148.5 49.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.611 -0.722 . . . . 64.43 110.575 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.547 HG22 ' ND2' ' A' ' 17' ' ' ASN . 13.6 p -128.45 130.55 69.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.255 -177.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.547 ' ND2' HG22 ' A' ' 16' ' ' VAL . 62.0 m-80 60.52 28.7 18.38 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.731 -0.668 . . . . 63.21 111.051 -177.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.54 -12.13 35.44 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 121.015 -0.612 . . . . 74.2 112.942 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -74.14 127.03 31.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.888 0.375 . . . . 62.12 110.928 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -98.35 134.44 41.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.826 -0.624 . . . . 73.32 110.552 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.403 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -125.35 150.23 47.38 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.449 -0.945 . . . . 61.25 108.449 172.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -96.45 129.97 43.7 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.042 -0.663 . . . . 70.43 110.296 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.791 ' HB1' HG22 ' A' ' 127' ' ' VAL . . . -127.73 135.56 50.33 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.314 -0.857 . . . . 71.23 108.72 177.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -141.98 137.6 31.32 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.196 0.522 . . . . 74.24 111.239 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.777 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . . . -131.79 112.5 12.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.083 -0.962 . . . . 61.05 109.673 176.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -84.54 102.96 13.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.307 0.575 . . . . 71.44 109.928 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.566 ' HB ' HG22 ' A' ' 32' ' ' VAL . 2.5 p -111.54 130.84 64.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.362 -0.835 . . . . 55.35 111.242 -176.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 29' ' ' ASP . 21.9 mtpp -130.95 135.41 47.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.273 -0.876 . . . . 74.25 108.888 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 28' ' ' LYS . 29.9 t70 69.16 9.22 7.26 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.853 0.835 . . . . 73.2 110.623 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.12 -1.22 79.84 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.708 -0.758 . . . . 72.3 111.524 -175.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -103.74 127.16 51.24 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.577 -0.527 . . . . 74.43 109.577 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.566 HG22 ' HB ' ' A' ' 27' ' ' VAL . 71.3 t -81.38 118.02 28.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.471 -0.566 . . . . 64.45 109.471 178.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -71.73 -40.45 69.41 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.827 -0.434 . . . . 71.44 109.827 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -171.96 160.6 5.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.698 -0.683 . . . . 74.52 109.167 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.74 160.29 40.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.373 -0.376 . . . . 73.44 110.407 175.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -162.47 166.92 24.32 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.935 -0.765 . . . . 71.52 108.935 177.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.425 ' HB3' ' HG3' ' A' ' 130' ' ' LYS . . . -165.97 139.64 4.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.679 -0.237 . . . . 54.51 110.77 -175.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.59 ' HA ' ' CB ' ' A' ' 134' ' ' ALA . 18.8 t0 -162.24 173.61 13.99 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.528 -0.545 . . . . 72.32 109.528 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.9 m -95.13 156.58 3.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.728 0.299 . . . . 75.41 110.905 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.29 92.49 0.44 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.674 -0.774 . . . . 73.02 112.217 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -100.58 89.29 3.87 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.858 -0.423 . . . . 75.41 109.858 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -137.29 150.66 69.6 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.922 -0.581 . . . . 72.31 109.928 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.6 -36.59 92.17 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.814 2.342 . . . . 75.21 112.74 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.78 -6.03 46.68 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.135 0.42 . . . . 74.33 112.135 -177.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.547 ' HB1' HH21 ' A' ' 49' ' ' ARG . . . -73.62 -6.93 49.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.725 0.298 . . . . 71.42 111.441 -178.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.569 ' HA ' ' O ' ' A' ' 49' ' ' ARG . . . -63.25 -21.23 66.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 71.31 111.037 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.9 m -58.63 -29.89 66.87 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.212 0.53 . . . . 62.04 110.961 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.4 mtm -107.94 -46.35 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 73.34 110.356 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.569 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 26.4 mtm-85 -111.23 105.89 14.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.698 -0.683 . . . . 55.51 110.138 -176.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -82.01 10.0 7.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.977 -0.556 . . . . 71.1 111.18 -173.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.5 t -53.87 -29.44 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 115.607 -0.724 . . . . 63.51 111.106 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.37 -23.57 16.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.614 -0.721 . . . . 74.33 111.756 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.51 -50.13 64.41 Favored Glycine 0 C--N 1.334 0.427 0 C-N-CA 120.94 -0.648 . . . . 74.44 111.935 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -66.03 -38.42 88.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.917 0.389 . . . . 64.55 110.083 177.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.31 -30.85 51.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.851 -0.613 . . . . 72.11 110.698 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.44 -39.53 70.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.215 -0.448 . . . . 54.43 110.64 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.443 ' HA ' ' HD2' ' A' ' 60' ' ' TYR . . . -72.15 -28.94 63.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.14 0.495 . . . . 34.32 110.488 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -66.23 -24.9 66.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.839 -0.619 . . . . 42.04 110.632 175.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.25 -39.27 93.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.346 -0.613 . . . . 72.15 109.346 176.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.443 ' HD2' ' HA ' ' A' ' 57' ' ' ALA . 97.4 m-85 -68.57 -33.48 74.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.853 -0.612 . . . . 72.53 110.244 176.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.53 -39.1 91.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.322 176.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 58' ' ' ALA . 92.7 t -62.99 -43.91 99.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.985 -0.552 . . . . 71.21 110.259 175.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -66.47 -39.21 88.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.079 -0.509 . . . . 64.44 110.237 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -66.26 -35.81 81.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.721 -0.672 . . . . 71.22 111.047 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.52 -32.98 67.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 55.11 111.344 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -38.86 72.16 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.095 -0.502 . . . . 63.31 110.61 177.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -71.15 -33.11 69.73 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.482 -0.781 . . . . 70.43 111.053 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.8 mp -83.11 -24.71 32.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.202 -0.454 . . . . 72.04 111.004 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.87 14.31 46.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.829 -0.7 . . . . 74.3 112.099 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.58 172.0 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 110.168 -0.308 . . . . 75.43 110.168 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 109' ' ' ILE . 31.5 pttt -153.65 178.18 10.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.531 0.205 . . . . 72.13 110.729 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.9 pp -124.73 166.64 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.304 -0.407 . . . . 72.34 110.172 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -135.36 141.75 45.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.631 -0.258 . . . . 74.14 110.307 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.494 HG23 ' HD1' ' A' ' 112' ' ' PHE . 20.8 tt . . . . . 0 C--N 1.321 -0.645 0 N-CA-C 109.4 -0.593 . . . . 63.33 109.4 174.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.725 -0.472 . . . . 74.03 109.725 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.07 19.09 2.29 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 121.358 -0.449 . . . . 65.21 114.045 -172.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 4.0 mp -97.07 -11.39 8.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.699 0.762 . . . . 65.24 109.37 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -126.13 144.28 50.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.549 -0.751 . . . . 72.13 109.336 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.5 p -169.05 171.39 8.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.945 -0.391 . . . . 72.24 109.945 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.494 ' HD1' HG23 ' A' ' 74' ' ' ILE . 78.2 t80 -122.0 135.22 54.83 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.507 -0.553 . . . . 75.1 109.507 176.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -128.8 124.54 35.68 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.36 -0.607 . . . . 73.01 109.36 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -107.88 110.8 22.66 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.267 0.556 . . . . 64.45 110.909 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.3 m -121.1 162.32 20.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.396 -0.82 . . . . 72.3 109.819 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -111.33 101.83 10.27 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.692 -0.484 . . . . 75.11 109.692 175.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -142.4 117.03 9.75 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.977 -0.556 . . . . 73.34 110.888 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -95.1 12.39 28.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.483 0.659 . . . . 70.24 109.682 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.1 m -87.99 36.53 0.77 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.084 -0.962 . . . . 52.22 110.321 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.29 119.05 11.62 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.593 -0.73 . . . . 65.02 113.112 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.562 HD21 ' HD2' ' A' ' 123' ' ' PHE . 49.7 t30 -54.38 145.78 17.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.782 -0.709 . . . . 63.34 110.107 175.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -53.61 -33.87 56.5 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 111.964 0.357 . . . . 73.12 111.964 -173.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.562 ' HD2' HD21 ' A' ' 121' ' ' ASN . 74.2 m-85 -63.49 -30.96 72.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.418 -0.356 . . . . 74.41 111.455 -178.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.421 HD21 ' HB3' ' A' ' 12' ' ' ASP . 9.0 t30 -77.86 -36.55 49.79 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.039 -0.356 . . . . 62.33 110.039 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.76 -33.67 74.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.292 0.567 . . . . 65.42 110.032 177.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -60.68 -46.77 89.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.137 -0.938 . . . . 72.11 110.715 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.791 HG22 ' HB1' ' A' ' 23' ' ' ALA . 9.9 p -78.25 -26.63 14.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.669 0.271 . . . . 70.32 110.849 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.464 ' O ' ' HD3' ' A' ' 132' ' ' LYS . 14.9 t70 -62.5 -49.45 75.29 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.754 0.311 . . . . 75.31 110.485 178.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 25.1 ptm -63.69 -31.64 72.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.393 -0.367 . . . . 74.53 110.294 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.425 ' HG3' ' HB3' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -63.51 -36.13 82.74 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.25 -0.432 . . . . 51.12 110.417 176.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -67.17 -38.54 85.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.166 -0.47 . . . . 54.02 110.703 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.464 ' HD3' ' O ' ' A' ' 128' ' ' ASP . 0.5 OUTLIER -62.78 -34.25 76.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.123 0.487 . . . . 74.04 110.512 177.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.6 t -60.25 -34.53 73.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.577 -0.738 . . . . 73.35 110.506 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.59 ' CB ' ' HA ' ' A' ' 38' ' ' ASP . . . -72.48 -25.69 61.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 74.21 111.681 -177.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 135' ' ' LEU . 4.1 mm? -85.25 -9.69 57.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.095 0.474 . . . . 73.23 109.944 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 97.53 20.56 21.96 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.551 -0.833 . . . . 51.11 112.322 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.0 mp . . . . . 0 C--N 1.325 -0.461 0 CA-C-O 121.4 0.619 . . . . 73.34 110.453 177.447 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 . . . . . 0 N--CA 1.452 -0.371 0 CA-C-O 121.912 0.863 . . . . 74.14 111.205 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 4' ' ' ARG . 12.6 ptt180 -100.22 3.64 43.77 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.143 -1.058 . . . . 73.12 108.143 167.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.78 131.45 45.98 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 114.244 -1.344 . . . . 70.41 110.018 177.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.568 ' HG3' HH22 ' A' ' 73' ' ' ARG . 8.9 pt-20 -58.14 143.83 42.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.824 0.345 . . . . 74.25 110.772 -178.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.621 ' HB2' HG22 ' A' ' 72' ' ' ILE . 10.2 m-85 -72.75 131.59 42.54 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.702 0.63 . . . . 75.0 112.702 -167.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -113.45 130.56 56.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.11 -0.95 . . . . 63.22 109.562 176.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.6 t -121.36 111.73 32.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.515 -0.55 . . . . 75.33 109.515 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.421 ' HD1' HG11 ' A' ' 27' ' ' VAL . 76.0 m-85 -101.03 113.97 27.47 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.593 0.711 . . . . 72.33 110.001 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.6 t -141.71 94.44 2.68 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.862 -1.063 . . . . 71.54 110.041 -176.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.731 ' HB2' ' HB2' ' A' ' 124' ' ' ASN . 3.2 t0 -98.47 -166.62 1.39 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.702 -0.851 . . . . 63.44 108.702 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.97 67.09 2.11 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.755 -0.736 . . . . 61.5 111.788 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.9 m -77.66 -82.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.092 -0.336 . . . . 64.41 110.092 177.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -146.89 128.96 15.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.797 0.332 . . . . 75.4 110.364 174.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 p -114.55 125.22 71.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.943 -0.571 . . . . 51.31 109.99 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.7 m120 57.66 26.87 13.47 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.713 -0.676 . . . . 74.03 111.123 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.88 -25.63 26.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.151 -0.547 . . . . 70.24 112.639 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -76.97 125.42 29.28 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.988 -0.375 . . . . 72.43 109.988 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -107.7 149.22 28.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.86 0.362 . . . . 75.33 110.74 -177.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.593 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -145.6 169.41 18.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.893 -0.594 . . . . 73.31 109.858 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.639 ' CZ2' ' HB3' ' A' ' 38' ' ' ASP . 52.2 p-90 -122.07 129.57 52.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.242 0.544 . . . . 72.43 110.25 176.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.86 ' HB1' HG22 ' A' ' 127' ' ' VAL . . . -152.06 136.82 17.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.275 -0.875 . . . . 72.21 109.095 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -155.4 154.17 31.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.933 0.397 . . . . 75.44 111.231 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.95 122.63 23.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.51 -0.768 . . . . 70.02 109.876 174.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.655 ' HB2' ' HB2' ' A' ' 34' ' ' TYR . 36.0 m-85 -84.25 104.23 14.12 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.007 0.432 . . . . 72.52 110.117 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 3.8 p -118.0 127.93 75.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.553 -0.748 . . . . 74.03 111.153 -176.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -129.05 131.58 47.35 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.051 -0.722 . . . . 73.13 109.051 175.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 t70 66.24 13.07 8.99 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.565 0.698 . . . . 74.22 110.705 174.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.45 1.35 59.15 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.686 -0.688 . . . . 63.2 112.581 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 27' ' ' VAL . 12.3 mptt -109.48 143.08 39.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.095 0.474 . . . . 74.52 110.586 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.7 t -108.75 124.39 65.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.798 -0.637 . . . . 62.21 110.681 -176.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -111.8 -27.35 8.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.348 -0.387 . . . . 74.24 111.411 -177.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.655 ' HB2' ' HB2' ' A' ' 26' ' ' PHE . 94.0 m-85 -129.35 140.46 51.37 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.268 -0.27 . . . . 75.13 110.933 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -157.84 124.17 4.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.737 -0.665 . . . . 64.21 110.034 -178.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -162.68 147.87 12.13 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 110.286 -0.265 . . . . 63.31 110.286 176.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -143.07 136.28 28.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.423 -0.353 . . . . 75.02 110.534 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.639 ' HB3' ' CZ2' ' A' ' 22' ' ' TRP . 32.4 t70 -159.67 168.87 24.97 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.464 -0.569 . . . . 71.35 109.464 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 t -107.38 134.26 49.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.04 0.448 . . . . 74.22 111.375 -176.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.97 108.61 0.01 OUTLIER Glycine 0 CA--C 1.523 0.534 0 CA-C-N 115.294 -0.867 . . . . 73.12 114.034 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -108.53 80.43 1.34 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.662 0.744 . . . . 65.2 110.234 173.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -80.82 153.11 72.69 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.345 -0.843 . . . . 73.3 110.118 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_exo -46.54 -51.9 8.23 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.368 2.712 . . . . 64.23 113.654 -175.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.91 -53.72 29.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.704 -0.226 . . . . 73.24 111.143 -177.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.58 -50.17 72.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 55.01 112.207 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.32 -36.06 81.0 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.796 0.331 . . . . 72.42 111.552 -176.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -76.91 -41.37 43.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.929 0.395 . . . . 64.41 110.542 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 49.4 tpp -62.27 -44.1 97.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.031 -0.532 . . . . 74.15 110.55 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -75.96 -4.11 39.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.799 -0.637 . . . . 75.44 111.508 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.0 t30 70.06 0.66 3.19 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.21 -0.45 . . . . 71.44 112.04 173.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.2 t -56.01 -44.56 78.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.443 -0.344 . . . . 53.24 111.377 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.554 ' HA ' HD11 ' A' ' 55' ' ' ILE . . . -62.66 -16.74 58.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.935 -0.575 . . . . 73.14 112.115 -177.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.18 96.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.039 -0.6 . . . . 54.04 112.744 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.29 -48.61 77.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.972 0.415 . . . . 73.41 110.742 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.662 HD13 ' H ' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -69.47 -28.74 39.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 73.41 111.251 177.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.11 -41.5 97.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.993 0.425 . . . . 42.14 110.339 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.49 -35.52 77.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.26 0.552 . . . . 74.11 110.341 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.48 -22.2 66.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.523 -0.762 . . . . 54.3 111.383 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.3 tp -59.86 -35.45 74.82 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.102 0.477 . . . . 60.33 110.646 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -68.52 -31.32 70.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.067 -0.515 . . . . 72.2 110.724 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.85 -34.94 74.3 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.843 -0.428 . . . . 74.3 109.843 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.1 -39.67 86.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.919 -0.582 . . . . 51.41 110.162 174.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -61.42 -42.58 98.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 73.44 110.624 175.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.436 ' HE2' ' HB3' ' A' ' 64' ' ' LYS . 51.6 mtpt -63.82 -37.79 88.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.31 -0.404 . . . . 72.32 110.754 175.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.498 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -65.05 -30.49 71.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.983 -0.553 . . . . 52.12 110.755 177.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.3 t -66.51 -41.88 88.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.219 -0.446 . . . . 62.01 109.81 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -71.68 -28.32 63.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.792 -0.64 . . . . 70.11 110.53 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.6 tp -81.67 -25.72 35.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.691 -0.686 . . . . 51.12 110.644 -178.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.66 34.86 12.57 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.845 -0.693 . . . . 63.04 112.441 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.498 HG23 ' HB1' ' A' ' 65' ' ' ALA . 22.3 m -122.75 -177.35 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 110.093 -0.336 . . . . 73.44 110.093 176.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -152.8 172.99 15.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.678 0.275 . . . . 72.34 110.795 -176.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.621 HG22 ' HB2' ' A' ' 7' ' ' TYR . 38.1 pt -124.59 151.27 29.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.169 -0.468 . . . . 61.42 110.215 177.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.568 HH22 ' HG3' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -106.09 118.67 37.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.605 -0.271 . . . . 73.44 110.925 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 68.4 mt . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 109.628 -0.508 . . . . 64.54 109.628 175.93 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? . . . . . 0 N--CA 1.453 -0.302 0 CA-C-O 121.061 0.458 . . . . 62.34 110.827 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.87 -45.07 0.66 Allowed Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.472 -1.051 . . . . 74.11 110.472 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.695 ' H ' HD12 ' A' ' 109' ' ' ILE . 4.1 mp -75.01 -39.9 44.66 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 N-CA-C 108.418 -0.956 . . . . 73.21 108.418 172.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -110.35 144.82 38.51 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.392 -0.966 . . . . 75.24 108.392 170.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.9 t -170.15 160.41 7.98 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.369 -0.604 . . . . 72.45 109.369 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -111.53 142.83 43.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.979 -0.555 . . . . 72.13 109.97 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -136.35 116.56 13.5 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.596 -0.52 . . . . 73.05 109.596 174.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -85.83 86.15 7.37 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.471 0.653 . . . . 74.52 110.235 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.2 p -114.24 135.11 55.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.066 -0.97 . . . . 74.23 109.541 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -127.66 92.28 3.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.431 0.634 . . . . 74.31 110.488 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -121.35 179.49 4.41 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.025 -0.989 . . . . 75.23 108.692 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -86.85 27.33 1.01 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.46 0.648 . . . . 65.21 110.26 -178.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.0 t -91.14 29.32 1.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.462 -0.79 . . . . 72.11 110.416 -177.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -67.65 109.72 3.06 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 116.104 -0.498 . . . . 54.14 112.114 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -78.45 -179.15 6.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.29 0.567 . . . . 63.0 111.086 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.545 ' CD ' ' H ' ' A' ' 122' ' ' GLU . 0.5 OUTLIER -80.55 -30.84 37.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.449 -0.796 . . . . 73.22 111.188 -175.653 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -65.41 -46.4 80.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.157 -0.474 . . . . 61.44 111.344 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.731 ' HB2' ' HB2' ' A' ' 12' ' ' ASP . 5.3 p-10 -76.31 -32.68 58.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.528 -0.306 . . . . 65.22 110.985 -176.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.16 -43.6 97.82 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.204 0.526 . . . . 73.21 110.701 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -62.07 -46.59 88.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.62 -0.718 . . . . 72.33 111.161 -178.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.86 HG22 ' HB1' ' A' ' 23' ' ' ALA . 5.5 p -77.16 -23.9 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.366 -0.379 . . . . 54.42 110.907 -177.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.583 ' HB2' ' HB3' ' A' ' 12' ' ' ASP . 11.5 t70 -65.3 -37.26 86.59 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.989 0.423 . . . . 73.41 110.278 176.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 67.1 mtm -63.23 -45.4 91.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 73.15 109.842 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -55.68 -49.94 71.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.409 -0.814 . . . . 73.23 111.325 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.583 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -66.87 -51.54 54.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.286 -0.415 . . . . 74.14 111.938 -176.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -66.97 -30.62 70.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.832 0.308 . . . . 72.54 111.832 -174.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.698 ' HA ' HG22 ' A' ' 137' ' ' ILE . 9.5 t -64.2 -30.94 71.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.059 0.457 . . . . 71.12 110.068 179.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -75.16 -7.21 53.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.975 -0.557 . . . . 74.43 111.35 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.593 HD21 ' HB2' ' A' ' 21' ' ' ALA . 3.3 mm? -96.45 -0.62 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.592 0.234 . . . . 62.03 110.745 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.24 25.0 35.01 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.13 -1.033 . . . . 74.32 112.684 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.698 HG22 ' HA ' ' A' ' 133' ' ' SER . 12.0 tt . . . . . 0 C--O 1.235 0.313 0 N-CA-C 110.352 -0.24 . . . . 72.13 110.352 178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.6 ' HB3' ' HE1' ' A' ' 7' ' ' TYR . 56.8 m-20 . . . . . 0 N--CA 1.466 0.349 0 CA-C-O 121.092 0.472 . . . . 73.45 112.125 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.1 mtt-85 -104.81 -15.87 15.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.378 -0.374 . . . . 63.05 111.988 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' A' ' 29' ' ' ASP . 41.0 p -101.69 150.52 23.04 Favored 'General case' 0 C--N 1.311 -1.089 0 C-N-CA 120.817 -0.353 . . . . 74.45 110.486 178.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -60.49 153.26 23.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.174 0.511 . . . . 43.51 111.086 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.6 ' HE1' ' HB3' ' A' ' 3' ' ' ASP . 6.0 m-85 -106.4 127.27 53.15 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.203 -0.453 . . . . 75.41 111.175 -170.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.655 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 32.3 m-20 -114.57 90.51 3.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.294 -0.632 . . . . 62.21 109.294 175.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.418 ' O ' HG22 ' A' ' 74' ' ' ILE . 45.4 t -96.95 115.23 35.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.369 -0.378 . . . . 72.22 110.094 -176.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.655 ' CE2' ' HB3' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -143.11 114.99 8.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.5 0.666 . . . . 50.01 112.401 -179.251 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.779 HG22 ' HA ' ' A' ' 24' ' ' TYR . 14.9 p -86.51 93.21 9.11 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.259 -0.882 . . . . 64.52 109.4 170.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -130.19 112.81 13.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.372 -0.376 . . . . 74.22 110.587 -173.402 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.59 143.73 10.82 Favored Glycine 0 N--CA 1.452 -0.262 0 N-CA-C 111.608 -0.597 . . . . 64.14 111.608 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m -91.24 130.09 37.16 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.957 0.408 . . . . 63.4 111.875 -174.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -72.19 153.91 41.34 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.725 -0.843 . . . . 74.11 108.725 170.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.595 HG13 HD22 ' A' ' 17' ' ' ASN . 7.9 p -154.81 154.44 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.536 -0.466 . . . . 72.44 111.29 -176.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.595 HD22 HG13 ' A' ' 16' ' ' VAL . 61.6 m-80 63.3 27.46 15.43 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.374 0.67 . . . . 70.44 110.58 -178.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.06 6.89 61.43 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.981 -0.628 . . . . 72.14 112.88 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.421 ' HB2' HD22 ' A' ' 135' ' ' LEU . 39.3 mt-30 -107.37 151.0 26.09 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.527 -0.396 . . . . 61.13 110.073 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -107.16 138.0 44.16 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.914 0.388 . . . . 61.33 110.776 -176.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.587 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -138.31 131.46 30.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.808 -0.633 . . . . 74.0 109.405 174.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 7.3 p-90 -90.08 128.76 36.38 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.949 -0.759 . . . . 64.51 108.949 177.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.868 ' HB1' HG22 ' A' ' 127' ' ' VAL . . . -118.8 136.18 54.14 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.586 -0.734 . . . . 73.01 109.837 -176.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.779 ' HA ' HG22 ' A' ' 11' ' ' THR . 31.5 p90 -138.66 138.07 37.45 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.605 0.717 . . . . 64.04 112.044 -177.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.51 ' HA ' ' O ' ' A' ' 34' ' ' TYR . . . -150.94 101.89 2.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.538 -1.21 . . . . 70.25 108.794 174.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -87.95 97.64 11.06 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.703 -0.48 . . . . 71.01 109.703 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 2.5 p -109.3 110.87 33.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.607 -0.724 . . . . 64.44 110.858 -178.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.551 ' HB2' ' CD1' ' A' ' 7' ' ' TYR . 16.4 ptmt -123.41 135.91 54.36 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.842 -0.799 . . . . 71.43 108.842 175.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.445 ' HA ' ' OG1' ' A' ' 5' ' ' THR . 36.8 t70 64.56 19.93 11.98 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.887 0.851 . . . . 73.21 109.992 -178.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.17 3.03 90.45 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.686 -0.688 . . . . 74.42 112.282 -177.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 27' ' ' VAL . 25.0 mmtp -105.05 125.35 50.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.881 0.372 . . . . 73.54 110.277 -177.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.447 HG22 ' HB ' ' A' ' 27' ' ' VAL . 26.1 t -90.38 107.82 18.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.878 -0.601 . . . . 62.41 109.957 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.414 ' CE1' ' HB1' ' A' ' 57' ' ' ALA . 11.7 t-160 -76.11 -30.28 58.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.171 -0.468 . . . . 74.0 110.524 -176.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.51 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 2.8 m-85 -150.0 140.8 22.73 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.047 -0.524 . . . . 73.41 109.983 177.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.41 ' HB3' HG11 ' A' ' 32' ' ' VAL . 9.1 pt-20 -147.52 118.79 7.81 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 123.579 0.549 . . . . 73.01 110.562 178.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 24' ' ' TYR . 4.5 t70 -176.39 173.31 2.12 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.959 -0.564 . . . . 73.4 109.54 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.586 ' HB3' ' HD2' ' A' ' 130' ' ' LYS . . . -156.29 133.65 10.75 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.64 -0.504 . . . . 34.34 109.64 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -133.85 162.94 30.65 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.494 -0.558 . . . . 71.32 109.494 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.426 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 34.6 m -83.76 178.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.624 0.249 . . . . 62.22 111.258 -177.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.46 138.38 49.16 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.222 -0.514 . . . . 62.22 112.162 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HD3' ' NH1' ' A' ' 49' ' ' ARG . 17.8 mtpp -118.82 -178.75 3.62 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.038 0.447 . . . . 74.22 110.301 -175.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -110.69 151.14 42.65 Favored Pre-proline 0 C--N 1.318 -0.8 0 CA-C-N 115.666 -0.697 . . . . 72.21 110.529 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_exo -62.09 -28.29 79.88 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.055 2.503 . . . . 74.54 112.694 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.66 -36.32 76.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 43.04 111.585 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 49' ' ' ARG . . . -98.66 -1.26 41.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.428 -0.351 . . . . 72.41 110.976 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.5 ' HA ' ' HD3' ' A' ' 49' ' ' ARG . . . -83.16 -33.4 26.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.519 -0.31 . . . . 64.23 111.385 -177.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.8 m -61.08 -38.5 86.49 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.969 -0.559 . . . . 72.2 111.601 -178.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 72.0 mtm -139.61 92.71 2.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.006 0.431 . . . . 74.32 110.042 -177.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.5 ' HD3' ' HA ' ' A' ' 46' ' ' ALA . 36.9 ptt180 -142.95 161.14 38.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.601 -0.727 . . . . 71.13 110.794 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -68.24 -14.91 63.34 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.202 -0.454 . . . . 71.02 111.175 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.453 ' O ' HG12 ' A' ' 55' ' ' ILE . 97.4 t -52.78 -29.66 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 120.99 0.424 . . . . 62.51 110.546 174.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.57 -31.37 66.09 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.076 -0.511 . . . . 33.43 111.158 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.67 -36.2 49.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.025 -0.607 . . . . 73.11 112.062 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.33 -43.49 77.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.863 0.363 . . . . 74.34 110.874 -178.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 51' ' ' VAL . 17.4 pt -70.18 -29.85 41.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.407 -0.361 . . . . 65.54 110.965 177.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 59' ' ' LEU . . . -62.77 -26.79 68.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.089 0.471 . . . . 34.12 110.748 175.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.414 ' HB1' ' CE1' ' A' ' 33' ' ' HIS . . . -72.85 -25.14 61.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 63.04 110.646 177.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.31 -37.23 53.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.982 -0.554 . . . . 64.12 109.527 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.425 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 35.2 tp -53.7 -49.47 68.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.345 -0.843 . . . . 65.53 110.376 174.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -62.45 -38.09 88.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.943 -0.571 . . . . 73.43 110.83 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.75 -41.35 99.16 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.32 -0.4 . . . . 73.31 110.957 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.2 t -71.97 -44.34 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.979 -0.555 . . . . 72.4 110.435 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -60.01 -38.82 83.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.985 -0.552 . . . . 60.15 111.061 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.475 ' O ' HD13 ' A' ' 68' ' ' LEU . 86.0 tttt -67.33 -31.09 71.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.932 0.396 . . . . 74.3 110.382 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.76 -34.77 64.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.94 0.4 . . . . 73.22 110.456 175.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.432 ' HB2' HD13 ' A' ' 109' ' ' ILE . 47.1 t -56.66 -52.09 66.24 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.461 -0.79 . . . . 65.11 111.258 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -66.0 -35.12 79.71 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.254 -0.43 . . . . 65.4 111.506 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 64' ' ' LYS . 9.9 mp -69.4 -25.41 64.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.047 0.451 . . . . 73.02 110.592 175.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.56 10.74 58.89 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 121.024 -0.608 . . . . 62.23 112.616 177.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.5 m -107.83 171.23 2.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.635 0.255 . . . . 75.13 110.91 -176.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -124.65 173.7 8.35 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.114 -0.493 . . . . 73.33 109.763 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 pp -109.75 159.08 9.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 110.102 -0.333 . . . . 74.44 110.102 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -126.76 141.39 51.84 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.168 -0.308 . . . . 63.44 110.168 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.813 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.532 0 CA-C-N 116.229 -0.441 . . . . 75.4 111.447 -175.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 . . . . . 0 C--O 1.232 0.132 0 N-CA-C 109.414 -0.587 . . . . 71.23 109.414 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 122.96 -44.53 1.3 Allowed Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 110.838 -0.905 . . . . 52.0 110.838 -176.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.432 HD13 ' HB2' ' A' ' 66' ' ' SER . 40.9 mt -71.26 -39.02 72.28 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 N-CA-C 108.562 -0.903 . . . . 71.54 108.562 171.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -116.03 148.08 40.56 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 114.808 -1.087 . . . . 75.32 108.6 171.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.1 p -159.43 167.12 29.52 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 108.812 -0.81 . . . . 62.43 108.812 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.462 ' HA ' HG13 ' A' ' 74' ' ' ILE . 95.8 m-85 -129.96 136.32 49.32 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.147 0.498 . . . . 72.23 111.063 177.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.521 ' H ' HG13 ' A' ' 74' ' ' ILE . 43.1 mm-40 -130.78 153.4 49.09 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.027 -0.988 . . . . 73.41 108.689 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -97.75 77.39 2.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.378 0.609 . . . . 71.52 109.366 177.023 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.78 133.95 48.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.19 -0.913 . . . . 75.15 109.557 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -72.62 148.3 44.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.991 0.424 . . . . 71.14 111.303 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.04 -178.29 1.57 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.74 -0.664 . . . . 70.34 111.596 -179.456 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -47.77 -64.83 0.68 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.7 -0.682 . . . . 71.35 110.178 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -149.62 14.2 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.503 -0.554 . . . . 74.32 109.503 172.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.05 115.72 1.9 Allowed Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.545 -0.752 . . . . 73.42 111.488 -174.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -81.64 163.94 22.19 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.284 -0.635 . . . . 62.12 109.284 -178.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -63.17 -28.08 69.81 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.047 0.451 . . . . 71.13 110.749 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -62.6 -35.73 80.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.905 -0.589 . . . . 72.2 110.18 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.65 -51.21 63.76 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.245 -0.434 . . . . 74.44 109.956 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.63 -33.47 72.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.794 -0.639 . . . . 71.12 111.092 -175.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -65.6 -56.46 12.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.39 -0.368 . . . . 73.11 111.017 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.868 HG22 ' HB1' ' A' ' 23' ' ' ALA . 9.6 p -69.21 -30.64 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 120.894 0.378 . . . . 71.33 110.583 -175.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 132' ' ' LYS . 11.2 t70 -62.71 -48.56 78.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 32.22 110.474 175.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 58.8 ttp -62.46 -38.78 91.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.034 -0.53 . . . . 53.05 110.428 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.586 ' HD2' ' HB3' ' A' ' 37' ' ' ALA . 10.1 tmtt? -60.78 -44.97 96.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.053 -0.521 . . . . 70.24 109.988 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.03 -51.35 68.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.026 -0.533 . . . . 71.14 111.649 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.53 ' HD3' HD12 ' A' ' 137' ' ' ILE . 11.1 ptpt -67.16 -24.53 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.549 -0.296 . . . . 73.31 111.619 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.59 ' HA ' HG22 ' A' ' 137' ' ' ILE . 64.9 m -63.17 -39.41 94.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.092 0.472 . . . . 72.15 110.245 176.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.46 -9.66 59.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 64.32 110.913 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.587 HD21 ' HB2' ' A' ' 21' ' ' ALA . 94.8 mt -99.29 5.82 46.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.075 -0.511 . . . . 70.25 110.975 -177.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.08 25.83 33.0 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 119.963 -1.113 . . . . 64.23 113.518 174.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.59 HG22 ' HA ' ' A' ' 133' ' ' SER . 13.8 tt . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 117.142 0.471 . . . . 71.22 110.577 177.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 . . . . . 0 CA--C 1.517 -0.316 0 CA-C-O 121.427 0.632 . . . . 70.52 110.519 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -83.81 74.74 10.16 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.429 -0.805 . . . . 64.32 111.381 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.545 HG23 ' HD2' ' A' ' 7' ' ' TYR . 13.0 t -169.64 141.13 2.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.752 -0.658 . . . . 71.44 109.719 176.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -91.49 102.14 14.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.582 0.706 . . . . 74.52 110.048 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.545 ' HD2' HG23 ' A' ' 5' ' ' THR . 46.9 p90 -117.52 169.57 9.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.704 -0.68 . . . . 74.11 111.039 -175.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.445 ' O ' HG13 ' A' ' 27' ' ' VAL . 8.7 m-20 -100.66 132.54 46.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.704 -0.68 . . . . 70.34 109.696 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.3 t -96.74 111.22 26.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.275 -0.639 . . . . 71.33 109.275 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -86.34 145.27 26.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.901 0.381 . . . . 65.32 111.943 -172.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.673 ' HA ' HG11 ' A' ' 127' ' ' VAL . 8.8 t -175.06 175.13 2.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.639 -0.71 . . . . 74.54 110.274 176.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -142.11 87.08 2.01 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.412 -0.588 . . . . 70.14 109.412 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.33 61.51 4.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.931 -0.652 . . . . 62.3 112.423 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.3 m -112.6 117.06 31.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.956 0.408 . . . . 64.32 110.768 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -77.26 163.24 26.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.868 -0.605 . . . . 74.15 109.932 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -168.77 146.79 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.708 0.289 . . . . 73.41 110.906 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 64.03 27.97 14.27 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.839 0.828 . . . . 71.13 110.783 173.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.58 6.97 85.35 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.42 -0.809 . . . . 45.42 112.801 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -117.85 151.31 37.62 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.019 -0.363 . . . . 74.42 110.019 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -137.82 145.84 42.77 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.206 -0.452 . . . . 60.23 110.815 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.93 154.5 38.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.737 -0.665 . . . . 71.31 109.651 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 -113.06 130.6 56.11 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.293 0.568 . . . . 75.0 109.91 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -130.82 153.61 48.91 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.636 -0.711 . . . . 42.43 109.645 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -147.41 137.92 23.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.911 0.386 . . . . 71.05 110.729 176.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.27 107.83 13.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.48 -0.782 . . . . 60.33 109.374 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.585 ' HZ ' HD13 ' A' ' 55' ' ' ILE . 87.1 m-85 -83.75 96.99 8.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.405 0.621 . . . . 74.12 109.69 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.668 ' HB ' HG22 ' A' ' 32' ' ' VAL . 1.7 p -109.0 111.23 35.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.019 -0.992 . . . . 74.03 110.79 -178.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -118.62 148.98 42.14 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.24 -1.022 . . . . 71.53 108.24 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.689 ' HB3' ' HE2' ' A' ' 31' ' ' LYS . 32.0 t70 67.84 7.23 5.6 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.649 0.738 . . . . 64.14 111.156 173.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.4 7.99 56.6 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.716 -0.754 . . . . 73.45 113.028 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.689 ' HE2' ' HB3' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -142.21 150.0 40.41 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 117.101 0.451 . . . . 74.41 111.586 176.35 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.668 HG22 ' HB ' ' A' ' 27' ' ' VAL . 40.0 t -82.4 120.98 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.0 -0.545 . . . . 63.21 110.557 -174.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -85.65 -31.46 22.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.884 -0.598 . . . . 73.43 110.351 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -161.17 140.09 10.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.993 -0.549 . . . . 74.41 109.838 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.22 138.35 22.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.295 -0.412 . . . . 72.41 110.273 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.454 ' HB3' HG22 ' A' ' 51' ' ' VAL . 5.0 t70 -167.42 171.76 10.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.464 -0.334 . . . . 74.54 110.273 177.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.59 139.52 36.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.221 -0.445 . . . . 64.23 110.514 -176.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -136.85 173.38 11.76 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.376 -0.601 . . . . 74.11 109.376 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.3 m -106.75 163.35 5.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 O-C-N 122.277 -0.265 . . . . 61.33 111.161 -175.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.28 122.6 29.69 Favored Glycine 0 C--N 1.334 0.429 0 N-CA-C 110.587 -1.005 . . . . 74.45 110.587 173.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -139.24 -168.44 2.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.763 0.792 . . . . 73.33 112.393 -165.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -113.59 153.6 45.78 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 114.818 -1.083 . . . . 71.13 110.294 -178.128 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.07 -19.0 64.82 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.868 2.379 . . . . 72.45 112.435 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.42 -13.86 62.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.945 0.402 . . . . 60.11 111.081 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.5 5.61 34.52 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.215 -0.448 . . . . 51.32 111.003 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.539 ' O ' ' HG3' ' A' ' 49' ' ' ARG . . . -65.09 -16.54 63.59 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.126 -0.488 . . . . 71.44 110.91 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.6 p -62.86 -39.41 94.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.225 0.536 . . . . 64.43 110.881 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.433 ' O ' ' HB2' ' A' ' 49' ' ' ARG . 69.7 mtm -92.15 -45.36 8.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.852 -0.613 . . . . 64.12 110.963 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 96.3 mtt180 71.16 -63.81 0.41 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.649 0.611 . . . . 73.15 112.649 178.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.4 t30 60.62 -88.51 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.598 0.759 . . . . 73.25 110.841 -172.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.454 HG22 ' HB3' ' A' ' 36' ' ' ASP . 21.3 t -76.92 -31.08 18.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.12 0.486 . . . . 42.03 110.882 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.499 ' HA ' ' HB ' ' A' ' 55' ' ' ILE . . . -62.0 -17.34 56.84 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.598 -0.728 . . . . 60.55 112.815 -171.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.73 -53.2 32.61 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.505 -0.855 . . . . 62.02 111.754 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -71.3 -29.1 64.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.719 0.295 . . . . 43.5 110.497 177.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.585 HD13 ' HZ ' ' A' ' 26' ' ' PHE . 34.7 mm -60.68 -41.22 87.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 116.199 -0.455 . . . . 65.23 110.541 176.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.34 91.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.036 0.446 . . . . 54.35 110.713 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.16 -31.59 70.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.028 -0.533 . . . . 75.14 110.689 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -68.69 -33.06 73.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.048 -0.524 . . . . 64.32 110.812 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.4 tp -63.2 -40.12 96.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.033 0.444 . . . . 75.31 110.435 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.93 ' HA ' ' HG2' ' A' ' 63' ' ' LYS . 41.0 m-85 -71.16 -26.14 62.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.076 -0.511 . . . . 74.14 110.848 176.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.14 -41.95 80.87 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.663 -0.495 . . . . 71.14 109.663 173.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 58' ' ' ALA . 93.3 t -61.86 -50.38 80.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.704 -0.68 . . . . 73.53 110.807 176.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.93 ' HG2' ' HA ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -65.03 -28.45 69.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 71.31 110.74 -179.184 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 60' ' ' TYR . 44.8 tptt -74.44 -46.08 42.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.441 -0.345 . . . . 51.22 110.172 178.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.78 78.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.788 -0.642 . . . . 52.44 111.225 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.7 t -60.05 -40.54 89.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.339 -0.391 . . . . 52.24 110.358 178.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -73.88 -34.3 64.39 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.953 0.406 . . . . 60.41 110.741 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.5 tp -76.45 -25.07 53.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.147 -0.479 . . . . 75.01 111.156 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.84 14.87 54.36 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.88 -0.676 . . . . 74.34 112.017 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.4 m -112.43 170.16 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.675 0.274 . . . . 73.11 110.506 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -146.86 165.58 29.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.42 -0.355 . . . . 71.32 110.292 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 110' ' ' TYR . 2.5 pp -129.01 172.58 15.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.442 -0.577 . . . . 74.31 109.442 176.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 8' ' ' ASP . 72.5 mtt180 -123.86 132.11 53.7 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.892 -0.323 . . . . 72.31 110.146 -177.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.5 HG23 ' HB3' ' A' ' 112' ' ' PHE . 11.9 tt . . . . . 0 C--N 1.324 -0.54 0 CA-C-O 121.632 0.73 . . . . 74.3 109.419 175.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.2 mtm180 . . . . . 0 N--CA 1.448 -0.529 0 N-CA-C 108.934 -0.765 . . . . 55.24 108.934 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 158.47 -30.18 0.46 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 110.758 -0.937 . . . . 72.12 110.758 -173.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 109' ' ' ILE . 3.6 mp -73.19 -27.02 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 108.539 -0.911 . . . . 64.43 108.539 170.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.44 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 29.1 p90 -149.3 146.14 27.4 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.363 -0.835 . . . . 74.21 109.667 174.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.5 t -142.44 162.41 35.55 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.818 -0.808 . . . . 73.14 108.818 174.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.5 ' HB3' HG23 ' A' ' 74' ' ' ILE . 41.5 p90 -113.06 138.41 49.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.949 0.404 . . . . 74.21 110.628 -178.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.8 150.92 51.44 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.873 -0.603 . . . . 72.03 109.554 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -81.12 113.44 19.29 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 121.562 0.696 . . . . 63.31 111.482 -174.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 13.6 p -100.08 153.76 4.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.179 -0.918 . . . . 71.12 109.682 179.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.656 ' H ' ' HD2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -100.18 155.4 17.77 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.451 -0.574 . . . . 72.3 109.451 175.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -132.36 110.94 10.92 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.735 0.302 . . . . 63.21 110.756 -178.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -64.66 -39.32 93.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.122 -0.49 . . . . 72.01 109.757 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 p -146.57 -31.29 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.78 -0.646 . . . . 62.25 110.794 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 106.49 127.92 5.93 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.378 -0.689 . . . . 65.4 111.378 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -75.68 161.53 29.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.856 0.36 . . . . 73.15 111.105 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -58.45 -32.22 68.52 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.947 -0.57 . . . . 74.53 110.706 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -65.84 -33.48 75.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.637 -0.71 . . . . 74.32 110.734 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -74.12 -40.53 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.798 -0.445 . . . . 52.51 109.798 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.57 -34.38 75.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 71.1 111.367 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.26 -51.33 69.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 74.45 110.604 -178.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.673 HG11 ' HA ' ' A' ' 11' ' ' THR . 9.2 p -75.75 -31.08 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 71.14 110.427 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -55.49 -52.98 61.84 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.674 -0.693 . . . . 74.1 110.331 175.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 41.1 ttp -59.61 -44.82 93.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.345 -0.843 . . . . 64.31 111.096 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -53.71 -53.04 57.72 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.397 0.518 . . . . 73.24 112.397 -174.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.2 -46.24 61.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.11 0.481 . . . . 71.15 111.771 -175.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -76.1 -27.41 57.12 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 112.507 0.558 . . . . 75.42 112.507 -171.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.1 p -73.65 -31.11 63.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.135 0.493 . . . . 62.11 109.991 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.44 -15.03 61.35 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.749 -0.659 . . . . 74.2 110.921 178.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.1 mt -95.1 -3.61 47.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 70.35 110.121 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 83.43 24.77 49.83 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.512 -0.852 . . . . 54.43 112.668 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 74.7 mt . . . . . 0 C--N 1.324 -0.521 0 CA-C-O 120.878 0.37 . . . . 53.34 110.911 -179.332 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 . . . . . 0 CA--C 1.52 -0.203 0 CA-C-O 121.444 0.64 . . . . 72.51 109.443 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -81.85 -14.52 56.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.036 -0.983 . . . . 72.14 111.179 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 p -109.7 96.75 6.47 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.733 -0.667 . . . . 74.41 111.68 -177.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 62.43 107.82 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.251 -0.886 . . . . 74.43 112.471 176.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.491 ' HE1' ' HE2' ' A' ' 28' ' ' LYS . 50.7 m-85 -75.52 130.95 39.69 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.624 -0.509 . . . . 72.43 109.624 173.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -104.3 149.78 25.03 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.015 -0.539 . . . . 75.43 110.651 -172.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.636 ' HB ' HD11 ' A' ' 74' ' ' ILE . 59.7 t -126.8 111.87 27.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.368 -0.378 . . . . 74.4 110.027 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -106.91 110.45 22.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.97 0.414 . . . . 73.14 110.117 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.586 HG23 HG11 ' A' ' 127' ' ' VAL . 44.7 m -168.15 127.61 1.25 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.419 -0.81 . . . . 72.25 109.155 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -95.15 -78.71 0.44 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.529 -0.915 . . . . 65.24 108.529 170.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.62 130.82 0.23 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.844 -0.694 . . . . 72.34 113.037 173.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.5 m -144.84 112.66 6.31 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 122.043 -0.681 . . . . 75.21 111.8 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.421 ' HB2' ' HA ' ' A' ' 20' ' ' TYR . 30.3 p90 -75.3 140.02 42.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.351 -0.981 . . . . 61.51 108.351 170.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p -154.66 155.55 5.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.83 -0.348 . . . . 75.31 110.786 -171.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.3 m120 64.05 28.3 14.27 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.795 -0.639 . . . . 74.42 110.838 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.12 -16.66 36.95 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.718 -0.674 . . . . 63.43 112.497 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.767 ' HB3' HD22 ' A' ' 135' ' ' LEU . 17.6 mm-40 -80.48 126.44 31.21 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.039 -0.356 . . . . 75.32 110.039 -179.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.421 ' HA ' ' HB2' ' A' ' 15' ' ' TYR . 41.3 p90 -120.96 153.44 37.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.399 -0.364 . . . . 63.33 110.169 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.25 166.86 32.24 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.24 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.541 ' O ' ' HA ' ' A' ' 37' ' ' ALA . 61.4 p-90 -111.17 130.37 55.66 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.435 -0.58 . . . . 74.45 109.435 173.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.622 ' HB1' HG22 ' A' ' 127' ' ' VAL . . . -132.76 136.43 46.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.824 -0.626 . . . . 50.4 110.286 -176.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -142.21 138.63 31.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.294 -0.412 . . . . 75.22 110.746 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.32 105.25 7.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.781 -0.645 . . . . 73.4 109.499 172.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -87.68 110.96 20.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.154 -0.476 . . . . 74.32 110.545 -175.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.513 ' HB ' HG22 ' A' ' 32' ' ' VAL . 4.3 p -116.78 123.56 71.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.622 0.725 . . . . 74.22 111.162 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.491 ' HE2' ' HE1' ' A' ' 7' ' ' TYR . 15.5 ptpt -127.93 132.72 49.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.772 -0.649 . . . . 72.41 109.502 176.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.3 t70 65.66 11.85 7.82 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.458 0.647 . . . . 65.22 110.287 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.49 2.25 63.64 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.875 -0.602 . . . . 74.01 112.124 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.11 141.23 47.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.03 0.443 . . . . 62.15 110.28 -178.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.513 HG22 ' HB ' ' A' ' 27' ' ' VAL . 76.8 t -108.15 120.96 60.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.961 -0.563 . . . . 32.31 110.028 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -110.01 -18.47 13.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.318 -0.401 . . . . 73.34 110.874 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -137.69 138.7 39.65 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.034 -0.358 . . . . 72.11 110.034 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.14 148.28 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.342 0.401 . . . . 64.12 110.445 177.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -175.81 171.53 2.65 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 109.861 -0.422 . . . . 71.41 109.861 173.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.541 ' HA ' ' O ' ' A' ' 22' ' ' TRP . . . -157.16 109.56 2.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.583 -0.735 . . . . 64.42 109.299 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -132.14 173.51 11.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.738 0.304 . . . . 72.34 110.385 -174.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.7 m -103.31 130.48 53.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.084 0.468 . . . . 71.25 110.833 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.51 111.78 0.36 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.739 -0.743 . . . . 63.25 112.562 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -108.66 101.66 10.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.094 0.473 . . . . 55.51 109.958 178.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -147.53 144.42 19.37 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.67 -0.695 . . . . 74.11 109.679 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -49.62 -54.13 5.95 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.271 2.647 . . . . 64.13 113.368 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.16 -27.87 67.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.94 0.4 . . . . 72.31 111.445 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' ' 49' ' ' ARG . . . -74.01 -32.71 63.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.074 0.464 . . . . 54.21 110.402 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.83 -16.44 61.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 43.05 111.348 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 m -72.24 -37.09 69.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.896 0.379 . . . . 63.33 111.569 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 68.5 mtm -76.01 -47.23 25.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.989 0.423 . . . . 53.25 110.982 -176.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 4.7 ptp85 -73.75 136.69 43.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.189 -0.46 . . . . 72.02 110.21 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -80.19 19.51 0.74 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.983 0.421 . . . . 74.2 111.773 -174.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.8 t -68.63 -27.99 38.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.425 0.631 . . . . 70.33 109.387 171.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.524 ' HA ' HG12 ' A' ' 55' ' ' ILE . . . -53.3 -29.88 35.83 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 114.92 -1.036 . . . . 73.02 112.29 -177.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.47 -47.31 85.52 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.54 -0.838 . . . . 73.44 112.146 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.59 -46.14 73.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.702 0.287 . . . . 55.4 111.322 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.524 HG12 ' HA ' ' A' ' 52' ' ' ALA . 40.0 pt -66.81 -32.56 58.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 121.028 -0.269 . . . . 43.35 111.497 -177.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.87 93.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.881 0.372 . . . . 52.0 110.719 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.8 -33.74 68.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.644 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.5 -27.46 61.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 74.11 110.569 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.7 tp -65.46 -31.47 72.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.778 -0.646 . . . . 60.43 110.718 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -66.45 -26.82 67.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 70.23 110.58 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.82 -36.59 82.71 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.822 -0.436 . . . . 61.22 109.822 175.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.484 HG13 HG12 ' A' ' 109' ' ' ILE . 93.0 t -65.33 -37.77 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.594 -0.73 . . . . 74.25 109.949 175.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.452 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 11.9 tmtt? -66.31 -36.79 83.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.361 -0.836 . . . . 75.4 110.095 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -75.9 -47.99 23.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.546 -0.297 . . . . 73.31 111.605 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.401 ' HB3' HG13 ' A' ' 109' ' ' ILE . . . -58.27 -32.47 68.42 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.282 0.475 . . . . 75.32 112.282 -173.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 p -65.43 -27.98 68.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.69 0.281 . . . . 64.32 111.208 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -83.12 -33.36 26.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.437 -0.347 . . . . 62.03 110.875 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.04 -24.91 55.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.536 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.84 1.72 61.53 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.89 -0.671 . . . . 72.0 112.37 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.1 m -97.08 145.28 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.058 0.456 . . . . 62.13 111.067 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.765 ' HA ' HG23 ' A' ' 109' ' ' ILE . 9.1 mptt -132.09 -177.09 4.29 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.96 -0.756 . . . . 64.03 108.96 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.779 HG12 ' HA ' ' A' ' 110' ' ' TYR . 1.7 pp -108.58 152.36 10.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.207 -1.034 . . . . 65.12 108.207 171.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -135.1 101.52 4.9 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.302 0.572 . . . . 63.1 111.85 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.636 HD11 ' HB ' ' A' ' 9' ' ' VAL . 47.5 mm . . . . . 0 C--N 1.324 -0.512 0 N-CA-C 108.669 -0.863 . . . . 71.15 108.669 170.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 . . . . . 0 N--CA 1.448 -0.529 0 CA-C-O 121.312 0.577 . . . . 71.41 110.055 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.31 100.1 0.77 Allowed Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.186 -1.166 . . . . 54.52 110.186 -172.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.765 HG23 ' HA ' ' A' ' 71' ' ' LYS . 46.2 mm -60.6 -31.52 49.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 112.45 0.537 . . . . 74.3 112.45 -171.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.779 ' HA ' HG12 ' A' ' 72' ' ' ILE . 5.3 p90 -116.27 147.89 41.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.163 0.506 . . . . 73.35 111.363 -176.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.4 t -157.27 169.07 25.58 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.147 -1.057 . . . . 70.52 108.147 175.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -156.01 137.1 13.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.019 0.438 . . . . 74.03 110.721 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -123.67 134.55 53.72 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.495 -0.775 . . . . 73.31 109.476 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.7 mppt? -85.23 106.78 16.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.172 0.51 . . . . 74.14 111.165 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 34.9 m -122.84 165.94 18.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.157 -0.929 . . . . 65.44 109.062 176.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -43.53 137.3 2.92 Favored 'General case' 0 C--O 1.238 0.481 0 O-C-N 123.463 0.477 . . . . 72.24 111.109 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.45 142.45 5.76 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.585 -0.734 . . . . 64.21 112.517 -171.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -90.83 -54.71 3.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.346 -0.843 . . . . 75.44 110.604 -176.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.9 m -149.07 -31.75 0.23 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.639 0.607 . . . . 75.23 112.639 -175.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 78.74 62.1 2.31 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.228 -0.986 . . . . 73.14 111.625 -175.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -79.8 161.82 25.46 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.703 -0.48 . . . . 74.14 109.703 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -60.71 -31.31 70.61 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.223 0.453 . . . . 71.2 112.223 -176.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -74.9 -32.4 61.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.529 0.68 . . . . 65.51 109.723 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -71.84 -47.24 54.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.932 -1.031 . . . . 72.31 110.566 -176.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -62.38 -33.77 75.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 64.4 110.789 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -61.35 -44.54 97.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 75.5 111.133 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.622 HG22 ' HB1' ' A' ' 23' ' ' ALA . 14.2 p -77.3 -36.2 23.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 116.552 -0.294 . . . . 72.24 111.026 -177.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.497 ' CG ' ' HZ3' ' A' ' 132' ' ' LYS . 30.9 t70 -72.02 -33.15 67.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.966 0.412 . . . . 63.25 110.952 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 54.2 ttp -61.46 -36.36 80.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.139 0.495 . . . . 73.21 110.195 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.476 ' HD3' ' O ' ' A' ' 130' ' ' LYS . 2.2 tmtp? -69.11 -42.21 76.4 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.046 -0.724 . . . . 71.43 109.046 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.536 ' O ' ' HG ' ' A' ' 135' ' ' LEU . . . -58.77 -49.78 76.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.024 -0.535 . . . . 44.13 111.088 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.497 ' HZ3' ' CG ' ' A' ' 128' ' ' ASP . 14.2 mptt -53.72 -47.41 70.59 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.801 0.334 . . . . 73.41 111.016 177.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.0 m -62.44 -39.35 93.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.962 -0.563 . . . . 70.43 111.07 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.0 -18.97 61.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.364 -0.38 . . . . 54.21 111.183 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.767 HD22 ' HB3' ' A' ' 19' ' ' GLN . 98.1 mt -91.93 -7.58 48.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.361 -0.381 . . . . 70.14 110.448 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.74 23.64 41.63 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.556 -0.83 . . . . 61.54 112.093 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 58.8 mt . . . . . 0 C--N 1.324 -0.537 0 N-CA-C 109.596 -0.52 . . . . 72.11 109.596 179.083 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.403 ' HB2' ' HB2' ' A' ' 28' ' ' LYS . 8.1 p-10 . . . . . 0 N--CA 1.457 -0.119 0 CA-C-O 121.163 0.506 . . . . 64.12 109.674 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -84.55 -2.23 57.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.543 -0.753 . . . . 75.22 112.753 -170.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 p -115.68 95.84 5.33 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.112 0.782 . . . . 63.02 113.112 -175.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 71' ' ' LYS . 18.9 tt0 65.24 125.79 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 114.977 -1.011 . . . . 72.03 112.661 170.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.487 ' HB2' HG22 ' A' ' 72' ' ' ILE . 91.1 m-85 -109.78 128.38 55.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.141 -0.481 . . . . 74.14 111.703 -176.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -103.87 108.68 20.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.756 -0.831 . . . . 75.02 108.756 171.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.483 ' O ' ' HD3' ' A' ' 73' ' ' ARG . 21.9 t -96.15 136.74 26.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.098 -0.501 . . . . 71.44 110.998 -168.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -93.64 172.57 8.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.822 0.344 . . . . 73.33 111.595 -177.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.3 m 67.71 103.71 0.05 OUTLIER 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.092 -0.958 . . . . 75.12 111.638 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.9 -17.34 63.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.247 0.546 . . . . 74.32 110.566 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.24 36.49 34.73 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 110.732 -0.947 . . . . 65.42 110.732 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.5 p -98.41 151.82 20.15 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.992 -0.604 . . . . 70.41 111.351 -176.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.461 ' HB3' ' HD1' ' A' ' 20' ' ' TYR . 43.6 p90 -64.25 141.07 58.9 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.448 -0.575 . . . . 75.22 109.448 174.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -120.56 120.77 63.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.259 0.552 . . . . 64.43 111.08 -175.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.2 m120 60.76 27.63 17.39 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.59 -0.732 . . . . 45.43 111.935 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.06 -14.17 61.53 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.469 -0.872 . . . . 73.43 113.379 175.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -106.13 127.05 52.93 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.395 -0.473 . . . . 73.25 110.14 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.461 ' HD1' ' HB3' ' A' ' 15' ' ' TYR . 92.2 t80 -98.31 135.29 40.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.993 -0.549 . . . . 60.4 111.458 -176.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.11 153.53 35.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.046 -0.979 . . . . 75.45 108.436 174.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -95.45 130.71 42.17 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.446 -0.502 . . . . 74.12 109.746 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.692 ' HB1' HG12 ' A' ' 127' ' ' VAL . . . -142.66 149.82 39.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.775 -0.648 . . . . 63.43 110.966 -172.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -145.62 142.74 29.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.375 -0.375 . . . . 55.4 110.399 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.883 ' HB2' HG21 ' A' ' 127' ' ' VAL . . . -135.74 102.95 5.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.39 -0.368 . . . . 71.4 110.784 176.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -91.55 116.61 29.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.703 0.763 . . . . 75.33 110.689 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.601 ' HA ' ' HA ' ' A' ' 32' ' ' VAL . 1.8 p -118.09 142.87 30.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 114.891 -1.05 . . . . 75.43 111.057 -174.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 3' ' ' ASP . 0.2 OUTLIER -137.95 135.86 36.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.955 -0.566 . . . . 72.31 109.879 177.556 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.5 t70 61.88 15.92 7.56 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.7 0.762 . . . . 71.14 111.198 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.94 -9.94 63.91 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.746 -0.74 . . . . 64.13 112.498 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -109.85 131.47 55.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.96 0.409 . . . . 72.55 110.496 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.601 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 7.1 p -78.81 132.65 31.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.982 -0.554 . . . . 65.43 109.593 177.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.466 ' HB3' ' OE1' ' A' ' 54' ' ' GLU . 29.1 t-80 -77.11 -59.63 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.816 -0.439 . . . . 63.32 109.816 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -142.5 143.39 32.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.027 -0.533 . . . . 75.34 110.561 174.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.772 ' HB2' HG22 ' A' ' 127' ' ' VAL . 0.0 OUTLIER -137.92 129.76 28.49 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.568 -0.742 . . . . 70.24 109.762 -178.626 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.75 ' HB3' HG22 ' A' ' 51' ' ' VAL . 2.0 t70 -157.83 171.26 20.6 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.131 -0.322 . . . . 71.54 110.131 -177.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -155.87 150.51 26.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.663 0.268 . . . . 72.42 110.985 -175.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -148.31 176.23 10.43 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.777 -0.453 . . . . 73.04 109.777 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.8 t -117.94 146.34 22.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.143 0.497 . . . . 62.31 111.133 -174.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.27 115.43 0.37 Allowed Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.647 -0.706 . . . . 72.04 113.244 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -87.51 94.06 9.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.957 0.408 . . . . 61.43 110.631 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -125.59 151.29 70.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.978 -0.555 . . . . 73.41 109.924 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.36 -34.93 97.66 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.539 2.16 . . . . 64.4 111.89 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.54 -9.52 58.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.92 -0.582 . . . . 35.42 110.954 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.29 6.56 46.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.823 -0.626 . . . . 63.14 111.0 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.32 -45.5 45.47 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.086 0.469 . . . . 73.32 111.398 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.648 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 29.4 m -95.43 -60.99 1.54 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.467 -0.568 . . . . 71.32 109.467 172.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.546 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 2.0 tpt 66.86 -58.84 0.39 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.412 1.085 . . . . 72.55 112.104 173.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -126.51 -71.42 0.69 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.538 -0.301 . . . . 73.55 110.387 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -158.13 -9.13 0.08 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.779 0.323 . . . . 74.42 111.808 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.75 HG22 ' HB3' ' A' ' 36' ' ' ASP . 16.1 t -57.24 -29.55 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 N-CA-C 112.807 0.669 . . . . 63.53 112.807 -172.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.648 ' HB2' ' HA ' ' A' ' 47' ' ' THR . . . -64.92 -16.26 63.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.118 0.785 . . . . 52.22 113.118 -174.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.19 -53.28 46.98 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.754 -0.736 . . . . 61.12 112.432 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.466 ' OE1' ' HB3' ' A' ' 33' ' ' HIS . 31.6 mm-40 -64.97 -31.76 73.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.779 0.323 . . . . 62.41 110.777 178.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.4 mm -58.46 -45.66 89.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 61.12 110.325 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.438 ' O ' ' HD1' ' A' ' 60' ' ' TYR . . . -66.44 -37.55 85.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.989 -0.55 . . . . 50.32 110.874 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.8 88.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 73.35 110.91 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.44 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -70.46 -39.46 74.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.981 -0.554 . . . . 51.44 111.311 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.0 tp -54.45 -56.63 16.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.418 . . . . 50.34 111.795 -177.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.438 ' HD1' ' O ' ' A' ' 56' ' ' ALA . 91.8 m-85 -67.13 -29.28 68.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.615 -0.266 . . . . 73.1 111.05 -177.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.24 76.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.373 -0.376 . . . . 72.43 110.404 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 58' ' ' ALA . 92.9 t -61.56 -38.2 79.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.396 -0.365 . . . . 73.52 110.723 178.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -57.36 -43.24 83.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 61.15 111.331 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -77.01 -34.21 57.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.738 0.304 . . . . 70.41 111.452 176.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.29 -27.23 54.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.791 -0.64 . . . . 32.22 112.216 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.9 p -50.32 -44.09 54.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.394 -0.366 . . . . 62.44 111.823 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -73.7 -32.64 64.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.37 -0.377 . . . . 55.51 111.585 -177.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 mp -78.87 -25.86 43.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.978 0.418 . . . . 74.32 110.74 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.82 44.46 56.19 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.788 -0.72 . . . . 53.33 112.485 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.9 m -101.33 163.72 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 110.317 -0.253 . . . . 74.21 110.317 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.45 ' HE3' ' HB3' ' A' ' 71' ' ' LYS . 0.6 OUTLIER -116.81 133.89 55.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.749 0.309 . . . . 74.44 110.729 -176.484 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.487 HG22 ' HB2' ' A' ' 7' ' ' TYR . 1.4 pp -119.58 151.32 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.799 -0.445 . . . . 63.32 109.799 173.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.483 ' HD3' ' O ' ' A' ' 9' ' ' VAL . 61.6 ttt180 -85.13 120.51 26.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.501 -0.318 . . . . 74.5 111.289 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.465 HG22 ' C ' ' A' ' 111' ' ' SER . 10.8 tp . . . . . 0 C--N 1.325 -0.476 0 N-CA-C 107.942 -1.133 . . . . 65.22 107.942 168.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.304 -0.628 . . . . 63.24 109.304 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 160.71 -28.08 0.31 Allowed Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.079 -0.808 . . . . 63.22 111.079 -175.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.6 mt -60.96 -39.33 81.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 109.366 -0.605 . . . . 73.41 109.366 172.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -110.34 143.7 40.18 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.16 -0.681 . . . . 73.31 109.16 172.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.465 ' C ' HG22 ' A' ' 74' ' ' ILE . 63.1 m -162.24 163.48 28.19 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 107.591 -1.262 . . . . 75.14 107.591 176.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -101.08 136.05 41.55 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.552 -0.859 . . . . 71.12 109.418 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -107.17 103.77 13.24 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.218 -0.901 . . . . 73.41 108.816 -175.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.414 ' H ' ' HG2' ' A' ' 114' ' ' LYS . 9.0 pttt -77.61 78.49 4.12 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.609 0.719 . . . . 74.02 111.638 -172.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.9 m -119.43 143.13 31.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.08 -0.963 . . . . 71.1 109.073 175.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -81.11 89.13 5.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.941 0.877 . . . . 60.12 110.869 -176.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.64 99.34 8.1 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.119 -1.4 . . . . 74.24 111.149 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -142.79 41.86 1.57 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.462 -0.79 . . . . 64.55 109.323 174.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.4 m -73.18 -26.91 61.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.232 -0.895 . . . . 42.34 111.606 -176.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 96.7 18.38 30.28 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.611 -0.804 . . . . 34.01 111.241 -175.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -63.69 115.52 4.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.251 -0.475 . . . . 73.0 110.236 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.8 -29.75 70.95 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.17 0.433 . . . . 71.45 112.17 -174.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.636 ' HA ' ' HD2' ' A' ' 126' ' ' TYR . 72.5 m-85 -66.42 -38.68 88.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.211 0.529 . . . . 64.2 109.857 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -72.49 -40.2 67.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.58 -0.736 . . . . 71.31 109.808 174.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.9 -26.26 64.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.091 -0.959 . . . . 53.44 111.587 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.636 ' HD2' ' HA ' ' A' ' 123' ' ' PHE . 8.2 m-85 -49.96 -52.84 30.44 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.261 0.553 . . . . 73.41 110.703 176.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.883 HG21 ' HB2' ' A' ' 25' ' ' ALA . 2.2 t -75.23 -33.13 27.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.209 -0.905 . . . . 70.22 111.231 -171.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.68 -43.0 94.19 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.139 0.495 . . . . 75.51 109.789 175.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 59.7 ttp -70.43 -37.27 74.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.686 -0.688 . . . . 52.1 110.883 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 126' ' ' TYR . 87.4 mttt -64.82 -31.47 72.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.515 -0.311 . . . . 74.24 111.193 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.92 -38.16 84.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.995 0.426 . . . . 65.34 110.183 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -65.75 -48.18 72.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.817 -0.629 . . . . 71.43 110.619 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.4 p -64.85 -28.99 69.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.164 -0.471 . . . . 65.41 111.193 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.0 -23.29 66.54 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.337 -0.392 . . . . 73.1 111.838 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' A' ' 135' ' ' LEU . 3.7 mm? -90.25 -1.47 57.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.233 0.539 . . . . 74.12 110.171 177.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.9 23.15 42.81 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.737 -0.744 . . . . 73.4 113.087 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.0 mm . . . . . 0 C--N 1.327 -0.38 0 N-CA-C 109.752 -0.462 . . . . 64.14 109.752 176.441 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.161 0 CA-C-O 121.708 0.766 . . . . 63.23 109.259 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -100.47 1.95 41.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.757 -1.11 . . . . 73.54 111.252 -173.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 6.0 p -122.94 113.4 19.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.147 -0.478 . . . . 75.3 110.502 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 5' ' ' THR . 0.5 OUTLIER 44.42 -163.96 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.03 0.932 . . . . 62.23 112.393 -176.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -138.6 157.41 46.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.273 -0.421 . . . . 73.25 110.191 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.499 ' HB2' HG13 ' A' ' 27' ' ' VAL . 10.4 m-20 -82.96 131.27 35.19 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.534 -0.543 . . . . 71.13 109.534 175.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.8 t -126.14 126.02 68.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.98 -0.378 . . . . 63.25 109.98 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.612 ' CE2' HG11 ' A' ' 27' ' ' VAL . 21.9 m-85 -110.68 -174.32 2.45 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.582 -0.525 . . . . 71.23 109.582 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.6 m 74.42 86.8 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.887 0.742 . . . . 75.22 110.293 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.609 ' CG ' ' HA ' ' A' ' 117' ' ' ALA . 0.6 OUTLIER -57.49 -38.49 74.66 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.506 -0.77 . . . . 74.31 109.498 177.031 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.81 112.15 0.4 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.987 -1.006 . . . . 70.15 111.065 -177.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.2 m -77.34 84.04 3.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.905 0.383 . . . . 71.31 111.988 -174.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -145.68 145.86 31.06 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.962 -0.385 . . . . 62.22 109.962 171.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.4 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 10.9 p -164.77 140.7 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.98 -0.555 . . . . 72.25 109.999 -177.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.5 m120 61.64 28.09 17.35 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.95 0.352 . . . . 74.31 111.95 178.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.51 -0.44 89.26 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.777 -0.725 . . . . 62.3 113.424 177.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.738 ' HG3' HD13 ' A' ' 135' ' ' LEU . 26.5 pt20 -118.06 149.67 40.6 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.395 -0.473 . . . . 74.32 109.968 178.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -139.06 159.88 41.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.131 0.491 . . . . 74.34 111.472 -174.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.456 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -139.25 169.67 17.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.116 -0.947 . . . . 54.11 108.967 176.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.437 ' CE2' ' HB3' ' A' ' 38' ' ' ASP . 42.1 p-90 -104.62 130.49 52.62 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.144 -0.622 . . . . 65.55 109.344 176.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.71 160.59 36.58 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.68 -0.691 . . . . 54.03 109.442 -177.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.49 ' HE2' ' HB3' ' A' ' 34' ' ' TYR . 55.4 p90 -163.64 165.3 23.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.991 0.424 . . . . 65.41 110.959 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.01 102.82 3.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.542 -0.753 . . . . 70.44 110.109 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.438 ' HB2' ' HB2' ' A' ' 34' ' ' TYR . 38.5 m-85 -84.81 113.93 21.71 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.173 0.511 . . . . 73.41 109.975 177.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.612 HG11 ' CE2' ' A' ' 10' ' ' TYR . 4.3 p -133.67 146.59 31.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.011 -0.995 . . . . 64.1 110.548 -171.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -150.58 135.04 17.19 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.716 -0.476 . . . . 70.4 109.716 174.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.1 t70 69.9 6.71 5.87 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.6 0.714 . . . . 74.43 110.295 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.41 -3.0 61.22 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.894 -0.669 . . . . 44.14 111.79 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -102.49 132.41 48.55 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.736 -0.468 . . . . 65.11 109.736 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -107.18 133.29 52.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.265 0 CA-C-N 115.422 -0.808 . . . . 74.35 110.399 -175.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -111.19 -33.11 6.55 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.794 -0.362 . . . . 61.24 111.509 -176.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.49 ' HB3' ' HE2' ' A' ' 24' ' ' TYR . 76.7 m-85 -114.91 139.07 50.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.537 -0.542 . . . . 71.2 109.537 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -165.74 120.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.31 0.381 . . . . 65.15 110.665 -173.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -171.97 167.93 6.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 34.13 110.432 173.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -155.52 126.42 7.01 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.684 -0.689 . . . . 72.31 110.277 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.437 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 23.3 t70 -146.93 171.8 14.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.329 -0.396 . . . . 71.01 110.107 -177.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.705 HG23 ' HE3' ' A' ' 41' ' ' LYS . 16.7 m -84.32 150.89 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.735 0.302 . . . . 71.34 110.952 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.79 120.91 24.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.956 -0.64 . . . . 63.22 112.655 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.705 ' HE3' HG23 ' A' ' 39' ' ' VAL . 11.4 mmpt? -102.58 -168.42 1.52 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.999 0.428 . . . . 74.15 110.344 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -66.59 155.42 88.94 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.616 -0.72 . . . . 71.23 111.333 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.94 -45.0 39.28 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 123.367 2.712 . . . . 64.51 113.12 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.41 -26.01 41.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.202 0.525 . . . . 74.35 110.482 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.597 ' O ' ' HB2' ' A' ' 49' ' ' ARG . . . -75.95 -3.83 37.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.779 -0.646 . . . . 75.12 110.834 178.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.73 -40.22 55.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.95 0.405 . . . . 40.34 110.242 176.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.9 m -85.18 -24.97 27.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.802 -0.635 . . . . 61.24 110.597 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.8 mtm -111.94 75.84 0.94 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.94 -0.573 . . . . 73.1 110.048 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.597 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 26.1 ttp180 -144.15 157.56 44.23 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.502 -0.772 . . . . 72.41 109.997 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -46.14 -44.94 16.23 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.63 0.581 . . . . 53.51 112.242 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.497 HG12 HG13 ' A' ' 55' ' ' ILE . 25.7 t -72.12 -28.02 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.777 -0.647 . . . . 74.54 111.962 -174.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.89 -29.42 41.75 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.734 0.642 . . . . 71.33 112.734 -173.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.53 -45.41 96.33 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.67 -0.776 . . . . 64.23 112.036 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -71.31 -40.01 71.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.948 0.404 . . . . 72.24 110.471 176.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.497 HG13 HG12 ' A' ' 51' ' ' VAL . 76.1 mt -59.45 -37.44 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.935 -0.575 . . . . 72.22 111.035 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.89 -39.08 71.04 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.298 -0.41 . . . . 64.34 111.252 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.52 90.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 65.03 110.817 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.79 -36.48 65.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.952 -0.567 . . . . 52.14 110.54 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.93 -37.86 88.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.804 -0.635 . . . . 74.33 110.28 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -69.35 -30.8 68.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.344 -0.389 . . . . 73.34 110.444 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.71 74.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.114 0.483 . . . . 72.13 109.976 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 110' ' ' TYR . 86.5 t -62.71 -36.08 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.695 -0.684 . . . . 74.13 110.087 175.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -68.0 -36.84 80.65 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.036 -0.529 . . . . 62.43 109.969 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -62.89 -37.49 87.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.989 -0.551 . . . . 73.43 111.089 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.86 -37.27 83.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.903 0.382 . . . . 62.31 110.246 175.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.558 ' HB2' HG13 ' A' ' 109' ' ' ILE . 39.0 t -65.12 -33.11 75.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.056 -0.52 . . . . 63.52 110.49 176.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.8 -35.53 80.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.909 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.1 mp -82.2 -25.81 33.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 64.14 110.706 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.48 27.31 9.96 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.933 -0.651 . . . . 70.32 112.465 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.8 m -121.99 167.78 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 110.405 -0.22 . . . . 73.44 110.405 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.432 ' HA ' HG23 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -147.02 -175.42 4.81 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.523 -0.547 . . . . 63.03 109.523 179.743 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 22.2 pt -107.27 151.54 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.714 -0.394 . . . . 70.41 110.074 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -128.24 101.63 6.33 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.283 0.564 . . . . 74.52 111.666 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.482 HD11 ' HA ' ' A' ' 112' ' ' PHE . 45.4 pt . . . . . 0 N--CA 1.445 -0.703 0 CA-C-N 115.388 -0.824 . . . . 71.41 108.881 171.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 15.3 mmt180 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 120.718 0.294 . . . . 73.02 110.394 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.51 78.45 1.08 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.5 -0.857 . . . . 24.2 111.789 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.558 HG13 ' HB2' ' A' ' 66' ' ' SER . 48.9 mm -79.79 -29.78 13.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.217 0.532 . . . . 70.42 110.341 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.432 ' CD1' HG11 ' A' ' 62' ' ' VAL . 1.5 p90 -140.42 147.63 39.98 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.13 -0.486 . . . . 70.2 110.21 178.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.9 m -155.75 156.93 35.69 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.902 -0.777 . . . . 62.12 108.902 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.482 ' HA ' HD11 ' A' ' 74' ' ' ILE . 85.8 m-85 -122.65 138.92 54.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.959 0.409 . . . . 64.42 110.896 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.52 148.33 45.9 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.241 -1.022 . . . . 75.54 108.241 175.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.76 91.44 6.07 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 121.325 0.583 . . . . 62.44 112.372 -171.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.3 t -102.52 157.96 4.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.465 -1.309 . . . . 71.12 107.465 170.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.416 ' O ' ' HD2' ' A' ' 118' ' ' HIS . 43.5 tttm -81.37 137.49 35.71 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 119.268 -0.973 . . . . 64.51 110.485 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.609 ' HA ' ' CG ' ' A' ' 12' ' ' ASP . . . -56.32 106.38 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 72.13 112.069 -176.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . 0.416 ' HD2' ' O ' ' A' ' 116' ' ' LYS . 13.5 p80 -143.05 7.03 1.59 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.341 -0.39 . . . . 73.34 111.573 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 71.9 m -58.42 -31.54 67.82 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 111.72 0.267 . . . . 61.21 111.72 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.31 45.51 11.25 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.609 -0.805 . . . . 52.3 112.531 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . 0.501 ' HB3' ' HB2' ' A' ' 124' ' ' ASN . 26.8 t-20 -116.27 146.75 42.14 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.899 -0.408 . . . . 62.52 109.899 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -60.79 -46.94 88.56 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 123.267 0.355 . . . . 64.33 111.852 -175.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -71.38 -27.99 63.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.433 0.635 . . . . 71.12 109.93 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.501 ' HB2' ' HB3' ' A' ' 121' ' ' ASN . 66.8 t30 -70.13 -44.67 68.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.228 -0.896 . . . . 72.23 110.419 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -69.35 -27.02 64.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.042 -0.526 . . . . 75.33 110.694 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.448 ' O ' ' HG2' ' A' ' 129' ' ' MET . 36.9 t80 -67.01 -42.07 85.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.661 -0.7 . . . . 74.44 110.952 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 13.2 p -75.14 -29.03 21.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.815 -0.354 . . . . 62.42 110.43 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -68.34 -45.97 71.45 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.56 -0.291 . . . . 74.35 111.037 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 126' ' ' TYR . 22.3 ptp -61.91 -32.66 73.07 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.91 0.386 . . . . 51.13 110.175 178.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -69.1 -43.08 75.19 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.133 -0.485 . . . . 64.04 110.289 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.87 98.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 52.25 110.807 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -56.98 -50.86 71.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.11 0.481 . . . . 71.23 110.651 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.0 m -61.49 -36.91 81.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.691 -0.686 . . . . 72.44 111.145 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.49 -26.88 66.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 71.13 111.322 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.738 HD13 ' HG3' ' A' ' 19' ' ' GLN . 95.5 mt -87.07 -18.13 31.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.904 0.383 . . . . 75.15 110.544 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 106.12 23.17 7.49 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.42 -0.895 . . . . 72.02 112.748 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 43.6 mm . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 109.869 -0.419 . . . . 74.31 109.869 176.386 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.794 ' HB3' ' HB2' ' A' ' 29' ' ' ASP . 7.3 p-10 . . . . . 0 N--CA 1.453 -0.315 0 CA-C-O 120.968 0.413 . . . . 74.2 110.668 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -108.34 3.55 23.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.183 -0.462 . . . . 72.45 111.068 -172.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.75 100.64 10.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.114 -0.494 . . . . 70.54 110.616 177.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.54 ' HA ' ' HB ' ' A' ' 70' ' ' VAL . 31.3 mt-10 60.44 -163.97 0.24 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.534 -0.757 . . . . 71.41 110.066 -174.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -118.37 163.67 16.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.658 0.742 . . . . 72.33 112.232 -177.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -126.54 112.19 15.25 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.738 -1.119 . . . . 73.44 108.736 168.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.1 t -131.1 136.59 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 122.323 -0.235 . . . . 74.44 110.416 -176.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -127.97 143.5 51.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.056 0.455 . . . . 75.51 110.968 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.1 t -147.96 21.22 1.12 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.716 -0.846 . . . . 70.22 108.716 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.477 ' OD2' ' HB1' ' A' ' 117' ' ' ALA . 12.5 t70 -65.23 105.06 1.02 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 114.899 -1.046 . . . . 74.5 110.393 -175.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.2 177.16 25.67 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.849 -0.691 . . . . 75.22 112.083 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.3 m -133.09 130.65 39.59 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.64 0.257 . . . . 72.14 110.962 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -80.46 157.84 26.08 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.263 -0.643 . . . . 73.14 109.263 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.75 117.12 51.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.144 0.497 . . . . 63.05 111.154 -177.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.4 m120 55.9 29.48 14.24 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.683 -0.69 . . . . 64.31 112.29 175.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.79 -15.94 62.31 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.518 -0.848 . . . . 61.13 112.625 178.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -77.61 126.27 30.63 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.424 -0.584 . . . . 71.4 109.424 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -134.45 147.38 50.4 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.091 0.472 . . . . 74.21 110.676 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.42 136.39 43.25 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.318 -0.993 . . . . 73.44 108.318 172.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 30.4 p-90 -82.99 130.01 35.1 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.445 -0.576 . . . . 73.01 109.445 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' A' ' 37' ' ' ALA . . . -166.44 135.28 2.97 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.576 -0.738 . . . . 73.02 110.159 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -148.04 -179.63 7.06 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.717 -0.674 . . . . 72.03 109.549 174.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' A' ' 35' ' ' GLU . . . -142.11 135.28 28.94 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.427 -0.351 . . . . 72.31 110.115 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.728 ' HB2' ' HB2' ' A' ' 34' ' ' TYR . 91.6 m-85 -84.18 97.29 9.3 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 108.906 -0.775 . . . . 72.3 108.906 176.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -90.32 146.57 6.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 114.759 -1.11 . . . . 73.14 108.649 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.608 ' CD ' ' HB2' ' A' ' 3' ' ' ASP . 1.4 tppm? -139.41 106.49 5.46 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.833 -0.432 . . . . 53.24 109.833 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.794 ' HB2' ' HB3' ' A' ' 3' ' ' ASP . 31.9 t70 67.1 22.98 9.74 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.123 -0.944 . . . . 71.23 110.199 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.56 -5.18 62.24 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.728 -0.749 . . . . 75.43 112.727 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -101.52 140.07 36.31 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.668 -0.493 . . . . 74.11 109.668 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.1 t -98.81 110.9 27.12 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 116.543 -0.299 . . . . 71.5 110.265 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -105.91 -24.1 12.52 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.738 -0.385 . . . . 71.45 110.851 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.728 ' HB2' ' HB2' ' A' ' 26' ' ' PHE . 44.1 m-85 -137.75 148.56 45.7 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.859 -0.422 . . . . 70.3 109.859 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -160.04 154.91 24.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.633 0.254 . . . . 73.51 110.923 178.289 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.426 ' OD2' ' HA ' ' A' ' 23' ' ' ALA . 4.6 p-10 -135.05 174.07 11.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.099 -0.501 . . . . 73.24 109.868 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HA ' ' HB2' ' A' ' 23' ' ' ALA . . . 179.88 119.37 0.06 Allowed 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.848 0.717 . . . . 70.44 110.656 174.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -161.74 167.88 24.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.738 0.304 . . . . 75.44 110.637 175.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.7 m -92.95 -178.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.493 -0.322 . . . . 73.43 110.478 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.0 84.67 0.48 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.72 -0.752 . . . . 65.24 112.345 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm -106.41 -168.52 1.43 Allowed 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 110.017 -0.364 . . . . 73.2 110.017 178.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -95.39 154.86 39.27 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 116.263 -0.426 . . . . 71.05 110.807 -175.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.7 ' HA ' ' HB3' ' A' ' 46' ' ' ALA . 78.2 Cg_exo -52.24 -28.56 34.56 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.491 2.794 . . . . 62.41 113.082 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.57 -41.73 81.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 45.23 110.75 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.68 -28.46 20.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.825 -0.625 . . . . 72.14 110.671 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.7 ' HB3' ' HA ' ' A' ' 43' ' ' PRO . . . -65.6 -15.46 62.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.766 -0.652 . . . . 70.45 111.266 178.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.2 m -60.59 -39.13 86.95 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.124 -0.489 . . . . 74.2 110.285 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.485 ' HB2' ' HB2' ' A' ' 52' ' ' ALA . 26.3 mmt 71.35 115.92 0.05 OUTLIER 'General case' 0 C--N 1.34 0.174 0 CA-C-O 121.559 0.695 . . . . 65.35 111.663 175.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -97.31 -0.28 46.79 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.93 -0.577 . . . . 71.34 110.941 176.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -124.72 -59.72 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.318 -0.401 . . . . 74.3 110.78 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.7 t -64.71 -29.37 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.69 -0.686 . . . . 74.42 111.552 -175.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 48' ' ' MET . . . -63.66 -19.08 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 55.23 111.711 -176.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.93 -45.07 96.5 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.04 -0.824 . . . . 54.44 111.04 174.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.518 ' HB3' ' HD1' ' A' ' 34' ' ' TYR . 10.0 mp0 -71.23 -37.93 71.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.233 0.54 . . . . 64.31 110.132 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.405 ' HB ' ' HA ' ' A' ' 52' ' ' ALA . 51.1 mm -65.07 -39.91 87.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.671 -0.695 . . . . 70.02 110.919 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.32 -33.32 72.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.424 -0.353 . . . . 71.52 111.348 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.21 84.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.031 0.443 . . . . 72.41 110.558 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.47 -25.09 50.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.078 -0.51 . . . . 52.34 111.078 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 tt -53.3 -58.57 6.62 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.126 -0.488 . . . . 74.53 110.869 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.51 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 29.4 m-85 -69.34 -28.28 66.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.451 -0.341 . . . . 63.42 111.61 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.435 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . . . -63.39 -48.16 79.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 61.42 110.264 177.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.402 HG11 ' CE2' ' A' ' 110' ' ' TYR . 91.7 t -71.26 -35.49 58.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.779 -0.646 . . . . 73.45 110.724 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -58.43 -49.19 78.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 63.0 110.735 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 60' ' ' TYR . 57.4 pttt -75.55 -27.54 58.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.63 -0.259 . . . . 72.14 111.195 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.455 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -53.47 -35.17 60.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.984 0.421 . . . . 65.04 111.13 177.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.1 t -62.01 -36.27 81.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.789 -0.642 . . . . 72.32 110.688 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.29 -38.79 55.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.385 -0.37 . . . . 75.13 110.511 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.29 -25.31 65.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 75.42 110.782 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.45 33.8 7.82 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 121.013 -0.613 . . . . 72.23 112.546 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.54 ' HB ' ' HA ' ' A' ' 6' ' ' GLU . 18.0 m -122.74 135.51 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.871 0.367 . . . . 54.52 110.516 178.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -152.67 176.36 11.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.073 -0.512 . . . . 72.2 110.237 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.469 HD13 HG13 ' A' ' 74' ' ' ILE . 2.1 pp -132.25 178.31 5.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.319 -0.4 . . . . 41.32 111.074 175.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -135.47 107.22 7.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.33 -0.396 . . . . 72.15 110.331 173.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.708 ' HB ' ' O ' ' A' ' 111' ' ' SER . 57.7 mt . . . . . 0 C--N 1.319 -0.758 0 N-CA-C 108.337 -0.986 . . . . 71.52 108.337 174.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.64 ' NE ' ' HA ' ' A' ' 107' ' ' ARG . 3.3 mmp_? . . . . . 0 N--CA 1.452 -0.348 0 CA-C-O 120.937 0.398 . . . . 73.42 111.206 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 64.6 84.19 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.168 -0.924 . . . . 70.11 113.646 172.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.616 ' H ' HD12 ' A' ' 109' ' ' ILE . 4.0 mp -66.85 -36.69 77.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 107.463 -1.31 . . . . 75.15 107.463 170.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.402 ' CE2' HG11 ' A' ' 62' ' ' VAL . 48.2 p90 -131.59 146.17 52.07 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.038 -1.437 . . . . 75.35 108.65 169.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.708 ' O ' ' HB ' ' A' ' 74' ' ' ILE . 6.8 p -137.63 142.34 41.21 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 110.13 -0.322 . . . . 62.12 110.13 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -154.88 141.5 18.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.125 0.488 . . . . 74.4 110.904 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -147.82 150.35 34.02 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.126 -1.064 . . . . 70.22 108.126 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.455 ' HD3' ' H ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -75.63 90.38 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.962 0.887 . . . . 74.21 112.153 -176.101 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.96 143.63 35.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 114.288 -1.324 . . . . 60.02 108.522 173.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -65.41 156.98 30.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.384 0.612 . . . . 75.32 112.002 -173.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.477 ' HB1' ' OD2' ' A' ' 12' ' ' ASP . . . -145.07 145.06 31.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.438 -0.801 . . . . 65.23 109.661 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -145.72 44.96 1.28 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.123 0.416 . . . . 70.23 112.123 -174.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.9 m -63.0 -33.02 74.52 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.071 -0.393 . . . . 54.22 111.168 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 64.59 56.56 16.43 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.913 -0.661 . . . . 73.4 113.294 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -112.11 179.08 4.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.43 -0.582 . . . . 71.35 109.43 176.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.19 -29.77 65.91 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.94 0.4 . . . . 63.51 111.159 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -66.47 -26.46 67.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.986 -0.552 . . . . 50.33 111.431 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.533 ' HA ' HG12 ' A' ' 127' ' ' VAL . 10.1 m120 -63.23 -33.3 75.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.328 . . . . 63.01 110.971 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.28 -40.93 96.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.003 -0.544 . . . . 73.53 109.772 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.484 ' O ' ' HB2' ' A' ' 130' ' ' LYS . 70.4 t80 -70.57 -49.79 44.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.064 -0.971 . . . . 74.11 110.987 -178.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' A' ' 124' ' ' ASN . 14.4 p -71.24 -34.8 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.413 -0.358 . . . . 63.44 111.769 -175.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.685 ' O ' ' HG2' ' A' ' 132' ' ' LYS . 8.8 t70 -59.48 -56.25 24.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.619 0.247 . . . . 71.1 111.244 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 26.9 ptm -66.82 -31.38 71.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.997 0.427 . . . . 74.11 110.408 -178.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 126' ' ' TYR . 4.0 tmtp? -62.37 -48.22 80.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.908 -0.587 . . . . 75.14 109.946 178.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.32 85.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 51.23 111.086 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.775 ' HB3' ' HB ' ' A' ' 137' ' ' ILE . 33.2 mmtp -61.3 -32.54 72.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.424 -0.353 . . . . 63.34 110.872 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.3 t -64.42 -34.91 79.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.416 -0.356 . . . . 72.52 110.519 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -76.75 -21.57 55.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.089 0.471 . . . . 72.13 110.818 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 95.8 mt -93.91 -2.84 52.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.961 -0.563 . . . . 73.41 110.277 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 77.17 23.96 67.36 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.627 -0.715 . . . . 72.1 112.815 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.775 ' HB ' ' HB3' ' A' ' 132' ' ' LYS . 50.7 mm . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 120.748 0.309 . . . . 75.33 110.34 -179.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 1.066 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 2.7 p-10 . . . . . 0 N--CA 1.443 -0.796 0 N-CA-C 108.594 -0.891 . . . . 74.24 108.594 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -139.51 -24.69 0.85 Allowed 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.928 0.714 . . . . 71.33 112.928 -172.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.75 95.25 6.58 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 113.347 0.869 . . . . 70.3 113.347 -165.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 43.13 90.39 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.446 1.091 . . . . 73.03 112.445 169.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.672 ' HB2' HG22 ' A' ' 72' ' ' ILE . 22.4 m-85 -72.31 127.88 33.93 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.049 -0.523 . . . . 72.31 110.618 -172.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -110.42 100.17 9.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.027 -0.533 . . . . 64.31 109.737 -176.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.465 ' HB ' ' O ' ' A' ' 73' ' ' ARG . 76.8 t -96.8 112.14 28.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.008 -0.542 . . . . 74.23 110.193 -178.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -143.33 150.97 39.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.049 -0.523 . . . . 74.01 110.374 -178.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.465 HG23 HG21 ' A' ' 127' ' ' VAL . 37.9 m -146.91 86.2 1.64 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.406 0.622 . . . . 71.11 110.07 175.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -115.5 99.47 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.628 -0.714 . . . . 72.04 109.127 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.87 97.16 0.19 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.024 -0.83 . . . . 64.22 111.024 -176.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.518 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 10.1 p -159.67 18.24 0.16 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.829 0.347 . . . . 72.12 111.483 -175.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.804 ' HB3' ' HD1' ' A' ' 20' ' ' TYR . 22.1 p90 -145.11 131.0 19.15 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.303 0.573 . . . . 74.23 110.731 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.692 HG22 HD22 ' A' ' 17' ' ' ASN . 8.1 p -154.73 136.38 5.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.737 -0.665 . . . . 73.21 110.069 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.692 HD22 HG22 ' A' ' 16' ' ' VAL . 40.5 m-80 59.24 28.57 17.93 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.343 -0.389 . . . . 64.3 111.328 -178.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.83 -2.85 86.94 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.895 -0.669 . . . . 34.23 112.4 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.498 ' HB3' HD22 ' A' ' 135' ' ' LEU . 51.3 mt-30 -94.42 132.7 38.78 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.833 -0.432 . . . . 72.41 109.833 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.804 ' HD1' ' HB3' ' A' ' 15' ' ' TYR . 86.9 t80 -131.6 134.12 45.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.95 0.405 . . . . 73.33 111.177 -174.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' ' 14' ' ' SER . . . -152.51 133.63 14.24 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.61 -0.885 . . . . 72.53 108.61 176.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 48.7 p-90 -82.54 144.3 30.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.51 0.672 . . . . 73.32 111.004 -173.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -146.98 168.54 21.26 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.045 -0.98 . . . . 74.44 109.21 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -145.74 136.67 24.54 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.026 0.441 . . . . 74.53 110.699 177.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.78 112.59 14.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.571 -0.741 . . . . 75.13 109.786 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.482 ' CE1' HD12 ' A' ' 55' ' ' ILE . 31.9 m-85 -94.85 97.79 10.27 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.291 0.567 . . . . 75.2 110.448 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 p -97.7 115.04 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 115.075 -0.966 . . . . 42.22 109.749 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -102.95 101.46 11.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.386 -0.825 . . . . 72.01 109.561 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 1.066 ' HB3' ' HB2' ' A' ' 3' ' ' ASP . 37.5 t0 45.61 49.22 11.12 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.366 -0.834 . . . . 73.42 111.403 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.78 -19.35 54.94 Favored Glycine 0 CA--C 1.52 0.379 0 CA-C-N 115.739 -0.664 . . . . 55.45 113.46 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -94.62 126.4 39.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.226 0.513 . . . . 72.43 110.747 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.2 t -87.46 98.26 7.25 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 N-CA-C 109.288 -0.634 . . . . 74.41 109.288 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -85.63 -30.55 23.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.266 -0.425 . . . . 73.13 110.701 -175.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -144.57 141.17 29.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.059 0.457 . . . . 72.21 111.596 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -152.57 120.52 6.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.76 -1.109 . . . . 54.21 108.165 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.609 ' HB3' HG13 ' A' ' 51' ' ' VAL . 1.9 t0 -160.73 165.79 29.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.808 0.337 . . . . 63.54 110.646 -175.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.67 155.57 40.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.104 -0.498 . . . . 65.2 110.195 -175.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.417 ' HB2' HG23 ' A' ' 51' ' ' VAL . 4.2 t0 -148.57 167.28 25.83 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.978 -0.379 . . . . 74.03 109.978 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 20.4 m -108.74 156.72 9.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.247 -0.433 . . . . 74.4 110.132 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.73 67.66 1.35 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.507 -0.854 . . . . 65.4 111.973 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.404 ' O ' ' HD3' ' A' ' 41' ' ' LYS . 14.8 tmtt? -84.46 88.65 7.3 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.511 -0.552 . . . . 62.42 109.511 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -141.96 152.36 61.79 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.633 -0.712 . . . . 71.52 109.677 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -63.14 -24.29 72.98 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.659 2.239 . . . . 71.34 112.126 175.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.49 -26.74 68.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.381 -0.372 . . . . 52.23 111.1 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.521 ' O ' ' HG3' ' A' ' 49' ' ' ARG . . . -91.5 7.32 41.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.067 -0.515 . . . . 74.43 111.45 -177.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . . . -47.88 -43.23 28.41 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.459 0.911 . . . . 75.44 113.459 -174.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 m -93.56 -28.97 15.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.914 0.387 . . . . 72.23 110.977 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.9 ptp -95.68 66.12 2.68 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.529 0.681 . . . . 73.23 111.415 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 80.2 mtt180 -115.42 126.44 54.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.549 -0.751 . . . . 75.52 109.824 176.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -68.71 -40.57 79.92 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.88 0.372 . . . . 75.11 110.359 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.609 HG13 ' HB3' ' A' ' 36' ' ' ASP . 47.7 t -60.58 -30.56 47.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.666 -0.697 . . . . 73.14 111.275 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.17 -23.09 61.92 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.278 -0.419 . . . . 74.33 111.987 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.0 -51.91 51.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 71.52 111.625 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -71.36 -35.58 71.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.798 0.332 . . . . 72.21 111.17 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.54 HG12 ' O ' ' A' ' 51' ' ' VAL . 46.2 mm -63.32 -30.38 49.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 73.34 111.14 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.12 -29.06 70.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 71.1 111.581 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.65 -27.53 63.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.055 0.455 . . . . 74.12 110.965 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.65 -21.86 54.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 64.32 110.771 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.93 -30.97 71.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.863 -0.608 . . . . 65.45 111.034 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -60.29 -35.86 76.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.54 111.178 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.94 -35.95 77.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 63.11 110.219 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.94 -39.07 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.781 -0.645 . . . . 41.33 110.151 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -63.79 -38.23 90.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.773 -0.649 . . . . 73.14 110.454 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.647 ' HA ' HE21 ' A' ' 67' ' ' GLN . 88.5 mttt -75.14 -29.15 60.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.627 -0.261 . . . . 65.2 111.06 176.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.78 -35.61 76.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.861 0.362 . . . . 33.24 111.105 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.508 ' HB2' ' CD1' ' A' ' 109' ' ' ILE . 33.1 t -62.63 -37.57 86.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 63.53 110.212 176.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . 0.647 HE21 ' HA ' ' A' ' 64' ' ' LYS . 46.8 mt-30 -73.89 -48.3 31.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.643 -0.708 . . . . 50.12 111.161 -178.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.42 -26.06 65.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.043 -0.526 . . . . 65.32 111.314 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.8 10.55 58.78 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.646 -0.788 . . . . 51.21 112.857 177.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.9 m -86.7 150.5 3.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 110.237 -0.283 . . . . 70.23 110.237 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.498 ' HD2' ' O ' ' A' ' 108' ' ' GLY . 70.2 mmtt -116.24 144.22 44.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.378 -0.374 . . . . 70.42 110.767 -173.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.672 HG22 ' HB2' ' A' ' 7' ' ' TYR . 17.1 pt -127.7 154.05 37.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.297 -0.41 . . . . 71.0 110.887 178.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.465 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 4.4 mpt_? -97.65 135.06 40.0 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.254 -0.647 . . . . 62.24 109.254 172.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.436 HG12 ' HB2' ' A' ' 110' ' ' TYR . 35.1 mm . . . . . 0 C--N 1.322 -0.625 0 CA-C-O 120.896 0.379 . . . . 71.12 110.738 177.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 . . . . . 0 N--CA 1.456 -0.171 0 CA-C-O 121.023 0.439 . . . . 73.1 110.459 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.498 ' O ' ' HD2' ' A' ' 71' ' ' LYS . . . -152.68 17.52 0.75 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.932 -0.651 . . . . 72.04 111.613 176.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.508 ' CD1' ' HB2' ' A' ' 66' ' ' SER . 9.3 mt -74.44 -39.63 48.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.129 0.49 . . . . 74.21 110.435 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.576 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 32.1 p90 -140.15 149.02 42.48 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.479 -0.782 . . . . 74.13 110.899 -174.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.3 m -149.7 164.75 34.37 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.531 -0.758 . . . . 74.42 109.39 177.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -134.7 142.17 46.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.932 0.396 . . . . 74.11 110.525 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -142.52 133.92 26.36 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.936 -1.135 . . . . 64.32 107.936 178.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -71.56 89.0 0.95 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.153 0.501 . . . . 73.13 110.835 -174.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 18.2 t -125.49 100.11 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.621 -0.718 . . . . 54.32 110.101 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -78.61 84.39 4.72 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.915 -0.772 . . . . 65.24 108.915 175.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -148.34 -52.01 0.18 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.301 -0.863 . . . . 44.43 109.73 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.32 12.69 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.395 0.617 . . . . 73.04 109.928 174.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.8 m -98.23 11.36 38.11 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.264 -0.88 . . . . 64.33 110.205 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -137.07 32.53 2.42 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.585 -0.734 . . . . 33.51 111.52 178.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -92.25 166.77 12.44 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.789 -0.448 . . . . 62.13 109.789 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -55.89 -34.45 65.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.896 0.379 . . . . 42.0 111.623 -177.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -66.9 -26.27 66.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.054 -0.521 . . . . 72.34 111.513 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.3 -38.05 89.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.653 0.263 . . . . 74.54 110.7 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.81 -29.98 66.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 72.44 110.345 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -60.36 -50.42 73.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 51.41 110.703 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.465 HG21 HG23 ' A' ' 11' ' ' THR . 11.8 p -76.46 -31.53 20.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.955 0.407 . . . . 75.42 110.64 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 132' ' ' LYS . 34.2 t70 -57.76 -49.79 75.4 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.05 -0.523 . . . . 75.23 110.369 177.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.442 ' HA ' ' HB3' ' A' ' 132' ' ' LYS . 27.6 ptt? -71.54 -30.25 65.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.361 -0.381 . . . . 73.52 110.928 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -58.65 -53.48 57.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.41 . . . . 71.43 110.057 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.14 -31.89 68.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.239 0.543 . . . . 54.42 110.519 177.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.669 ' HG2' ' HB ' ' A' ' 137' ' ' ILE . 37.0 ttmt -57.53 -35.19 69.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.345 -0.843 . . . . 72.24 111.363 178.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.6 m -65.93 -32.53 74.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 72.43 110.809 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.46 -6.95 55.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.082 -0.508 . . . . 73.04 110.855 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 19' ' ' GLN . 83.6 mt -97.14 -5.57 36.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.979 -0.555 . . . . 72.44 110.602 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 100.68 -6.76 57.38 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.733 -0.746 . . . . 53.1 112.556 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.669 ' HB ' ' HG2' ' A' ' 132' ' ' LYS . 58.4 mt . . . . . 0 C--N 1.32 -0.716 0 N-CA-C 109.433 -0.58 . . . . 53.44 109.433 178.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 . . . . . 0 N--CA 1.449 -0.524 0 CA-C-O 121.147 0.498 . . . . 73.31 110.073 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 4' ' ' ARG . 56.5 mtt85 -89.92 -25.86 20.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.586 -0.733 . . . . 54.01 111.324 -178.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 p -105.96 121.48 44.19 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.587 -0.733 . . . . 63.11 111.013 -177.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.637 ' O ' ' HE2' ' A' ' 28' ' ' LYS . 32.5 tt0 68.2 106.8 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 O-C-N 124.203 0.939 . . . . 72.42 110.904 -177.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -85.59 148.02 26.12 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 108.184 -1.043 . . . . 72.11 108.184 167.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.73 ' OD2' ' HB2' ' A' ' 26' ' ' PHE . 1.5 p-10 -78.81 104.52 9.49 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.492 0.663 . . . . 74.45 111.153 -174.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.693 HG21 HD13 ' A' ' 72' ' ' ILE . 55.3 t -130.24 130.81 65.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.456 -0.793 . . . . 52.41 111.033 -178.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -153.41 137.72 16.62 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.504 -0.924 . . . . 74.04 108.504 174.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.9 t -148.64 154.33 39.55 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.55 -0.46 . . . . 44.11 111.475 -174.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.518 ' HA ' ' O ' ' A' ' 115' ' ' VAL . 0.0 OUTLIER -103.6 173.47 6.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.798 -0.816 . . . . 61.32 108.798 172.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -168.82 39.19 0.21 Allowed Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.928 -0.653 . . . . 52.32 111.534 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.9 m -127.6 113.17 15.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.93 0.395 . . . . 75.54 111.293 -176.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -58.15 122.2 12.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.698 -0.683 . . . . 74.32 110.326 176.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.753 HG22 HD22 ' A' ' 17' ' ' ASN . 10.9 p -102.94 127.05 57.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.96 0.409 . . . . 73.52 110.811 -176.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.753 HD22 HG22 ' A' ' 16' ' ' VAL . 41.5 m-80 62.92 30.94 16.48 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.793 -0.64 . . . . 74.2 111.356 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.14 10.06 85.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.823 -0.704 . . . . 70.43 113.53 173.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.492 HE21 HD13 ' A' ' 135' ' ' LEU . 11.0 pt20 -127.08 155.12 43.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.995 0.398 . . . . 75.13 110.29 178.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -97.06 134.93 39.76 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.519 0.676 . . . . 62.21 111.938 -175.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.88 167.2 24.52 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 107.495 -1.298 . . . . 54.11 107.495 173.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.6 p-90 -139.77 130.05 25.31 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.144 -0.622 . . . . 72.23 110.731 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.731 ' HB1' ' HB ' ' A' ' 127' ' ' VAL . . . -124.68 135.91 53.45 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.672 -0.695 . . . . 52.25 110.113 176.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -128.23 139.46 52.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.085 0.469 . . . . 73.22 109.99 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.793 ' HB2' HG11 ' A' ' 127' ' ' VAL . . . -133.23 154.15 50.91 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.906 -0.588 . . . . 64.42 110.255 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.73 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -128.15 97.79 4.89 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.627 0.727 . . . . 55.45 110.244 175.463 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.726 ' HA ' ' HA ' ' A' ' 32' ' ' VAL . 2.7 p -109.98 125.66 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 114.884 -1.053 . . . . 71.53 110.717 -174.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.687 ' HB2' ' HB3' ' A' ' 8' ' ' ASP . 23.7 tptp -126.78 122.98 36.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.848 -0.614 . . . . 61.24 109.952 -176.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.443 ' OD1' ' HG3' ' A' ' 28' ' ' LYS . 4.2 m-20 62.47 35.59 14.63 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.624 0.601 . . . . 51.43 112.624 172.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.53 1.74 58.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.24 -0.981 . . . . 55.51 114.295 172.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.61 ' HE2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -153.25 151.64 30.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.87 0.835 . . . . 75.44 111.717 173.812 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.726 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 14.9 p -84.14 151.37 3.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.603 -0.726 . . . . 73.21 110.65 -176.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.676 ' HB2' ' HD2' ' A' ' 26' ' ' PHE . 37.6 m170 -77.44 -60.11 2.5 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.841 -0.429 . . . . 74.53 109.841 174.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.41 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 98.7 m-85 -144.76 154.04 42.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 73.32 109.652 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -124.71 120.99 33.38 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.245 -0.28 . . . . 73.13 110.245 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -152.61 159.36 43.23 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.06 -0.348 . . . . 64.43 110.06 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -176.6 156.04 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.275 -0.639 . . . . 72.13 109.275 -175.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -156.76 175.94 13.39 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.254 -0.276 . . . . 71.45 110.254 -178.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.9 m -98.55 130.19 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-O 121.229 0.538 . . . . 64.13 111.222 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.84 -165.98 53.54 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.72 -0.673 . . . . 41.31 112.344 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -138.58 109.41 6.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.804 0.335 . . . . 72.24 110.736 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.754 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 17.9 m120 -129.41 142.74 46.3 Favored Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 109.12 -0.696 . . . . 75.33 109.12 175.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.08 -50.4 11.45 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 122.86 2.373 . . . . 74.3 113.357 -173.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.69 -33.26 17.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.69 0.281 . . . . 72.05 111.077 -176.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.754 ' HB3' ' HB2' ' A' ' 42' ' ' ASN . . . -67.95 -36.14 79.59 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.203 0.446 . . . . 71.4 112.203 -176.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.02 -16.6 60.6 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.06 0.392 . . . . 62.22 112.06 -175.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 p -120.02 -62.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.851 -0.34 . . . . 72.13 111.509 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.424 ' HG2' ' HG3' ' A' ' 49' ' ' ARG . 49.2 ttm 44.16 -85.44 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 125.613 1.565 . . . . 72.12 112.576 178.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.424 ' HG3' ' HG2' ' A' ' 48' ' ' MET . 51.4 mtt180 -148.03 13.43 1.0 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.455 -1.248 . . . . 73.41 109.413 -176.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -82.36 176.51 9.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.082 -0.963 . . . . 73.44 110.318 -175.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.526 ' O ' HG12 ' A' ' 55' ' ' ILE . 45.9 t -62.81 -35.97 73.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.377 0.608 . . . . 61.24 109.467 177.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.709 ' HA ' ' HB ' ' A' ' 55' ' ' ILE . . . -58.59 -16.03 14.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.097 -0.956 . . . . 62.41 112.027 177.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.52 -53.38 39.19 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.708 -0.758 . . . . 51.14 111.844 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.4 -31.19 65.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.954 0.407 . . . . 72.44 110.412 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.709 ' HB ' ' HA ' ' A' ' 52' ' ' ALA . 37.7 mm -64.44 -29.58 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.896 -0.593 . . . . 65.22 110.966 177.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.67 -24.62 22.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.371 . . . . 74.01 111.581 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.58 -24.74 67.7 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.742 0.306 . . . . 72.42 110.83 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -68.93 -26.83 65.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.48 -0.327 . . . . 75.42 110.343 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.6 tp -67.26 -39.28 86.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.328 0.585 . . . . 75.13 109.501 176.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.487 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 97.5 m-85 -73.8 -26.37 60.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.535 -0.757 . . . . 75.21 110.13 175.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.2 -34.47 78.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.304 -0.407 . . . . 74.3 110.049 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 58' ' ' ALA . 62.0 t -69.57 -37.18 73.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.117 0.484 . . . . 62.23 109.938 174.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.487 ' HB2' ' HA ' ' A' ' 60' ' ' TYR . 6.0 tmtt? -56.41 -41.75 76.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.411 -0.813 . . . . 73.03 109.748 174.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -71.0 -45.87 63.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.709 -0.678 . . . . 73.42 110.791 174.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.05 -41.62 64.96 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.058 -0.519 . . . . 43.4 111.993 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.475 ' HA ' HG12 ' A' ' 109' ' ' ILE . 34.5 t -52.22 -49.71 63.4 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.053 -0.521 . . . . 61.35 110.926 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -83.63 -29.13 27.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.921 -0.581 . . . . 74.54 111.461 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.3 tp -72.74 -26.55 61.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.393 . . . . 64.32 111.027 -176.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.88 14.61 31.07 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.563 -0.827 . . . . 65.23 112.932 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.4 m -112.43 147.41 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.753 0.311 . . . . 61.24 110.749 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.583 ' HA ' HG23 ' A' ' 109' ' ' ILE . 80.4 mttt -129.69 178.37 6.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.318 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.693 HD13 HG21 ' A' ' 9' ' ' VAL . 2.7 pp -109.31 167.18 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 110.121 -0.325 . . . . 70.22 110.121 178.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.6 ttt85 -76.79 102.8 6.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.127 0.489 . . . . 74.23 109.914 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.539 ' HB ' ' HB3' ' A' ' 111' ' ' SER . 35.5 pt . . . . . 0 N--CA 1.447 -0.609 0 CA-C-N 115.588 -0.733 . . . . 74.32 111.601 -175.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 11.8 mpt_? . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.873 0.368 . . . . 62.23 110.109 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 136.25 -49.72 0.87 Allowed Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.99 -0.844 . . . . 72.33 110.99 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.583 HG23 ' HA ' ' A' ' 71' ' ' LYS . 4.1 mp -80.28 -39.58 19.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.468 -0.938 . . . . 75.1 108.468 172.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.67 147.29 41.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.871 -1.059 . . . . 72.33 109.522 175.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.539 ' HB3' ' HB ' ' A' ' 74' ' ' ILE . 5.7 t -161.41 140.21 9.83 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.415 -0.587 . . . . 71.22 109.415 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -126.29 171.56 10.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.118 0.485 . . . . 53.55 111.304 -174.217 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.402 ' OE2' ' HG2' ' A' ' 114' ' ' LYS . 0.6 OUTLIER -147.41 152.06 37.5 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.12 -1.437 . . . . 63.14 107.12 172.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.402 ' HG2' ' OE2' ' A' ' 113' ' ' GLU . 17.5 ptpt -79.35 81.62 5.6 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.896 0.855 . . . . 73.33 110.833 -176.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 12' ' ' ASP . 60.6 t -100.64 139.44 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.99 -1.005 . . . . 63.41 110.715 -176.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -142.43 124.21 15.12 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.12 -0.696 . . . . 75.5 109.12 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.43 132.61 43.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.794 0.331 . . . . 72.02 110.325 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -109.36 -37.96 5.61 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.209 -0.45 . . . . 75.33 111.108 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 17.7 m -72.98 -32.66 65.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.377 -0.374 . . . . 75.43 111.451 -174.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 135.29 90.09 0.32 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.254 -0.974 . . . . 64.44 113.351 175.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -116.74 131.17 57.02 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.364 -0.236 . . . . 62.1 110.364 173.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -63.19 -41.76 99.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.941 0.4 . . . . 74.14 110.788 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -60.43 -39.63 88.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.537 -0.756 . . . . 73.41 110.165 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -69.26 -48.05 62.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.58 -0.736 . . . . 71.25 110.841 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -67.48 -35.96 80.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.028 -0.533 . . . . 72.21 111.069 -175.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -56.11 25.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 73.42 110.766 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.793 HG11 ' HB2' ' A' ' 25' ' ' ALA . 30.6 m -68.69 -30.9 48.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.795 0.331 . . . . 61.33 110.794 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.23 -45.55 92.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.772 -0.649 . . . . 73.02 109.864 174.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 46.6 ttm -64.4 -40.44 95.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.455 -0.793 . . . . 71.24 110.777 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -65.35 -42.83 92.42 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.375 -0.375 . . . . 72.34 110.077 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -63.37 -42.74 98.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.359 -0.382 . . . . 61.43 110.652 177.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.611 ' HA ' HD12 ' A' ' 135' ' ' LEU . 83.1 mttt -64.64 -35.3 80.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.219 -0.446 . . . . 73.03 111.02 177.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 48.8 m -61.24 -39.42 90.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.633 0.254 . . . . 62.45 110.447 177.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.5 -21.32 60.44 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.047 -0.524 . . . . 41.22 110.954 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 132' ' ' LYS . 66.3 mt -80.28 -16.44 54.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.274 0.559 . . . . 64.2 109.607 177.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.31 15.9 54.5 Favored Glycine 0 N--CA 1.439 -1.104 0 CA-C-N 115.303 -0.862 . . . . 53.14 111.576 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.508 ' HB ' ' HB3' ' A' ' 132' ' ' LYS . 50.7 mm . . . . . 0 C--N 1.327 -0.392 0 CA-C-O 121.118 0.485 . . . . 62.34 110.781 -177.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.7 t0 . . . . . 0 N--CA 1.451 -0.402 0 N-CA-C 108.563 -0.903 . . . . 63.22 108.563 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -121.54 10.93 10.52 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.029 -0.532 . . . . 62.23 110.119 -176.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.39 127.53 36.22 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.881 -0.6 . . . . 74.43 112.034 -168.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -70.97 127.36 32.33 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.651 -0.87 . . . . 74.2 108.651 170.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.585 ' CE1' ' HG2' ' A' ' 28' ' ' LYS . 42.7 m-85 -91.28 133.59 35.29 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.537 0.569 . . . . 74.35 112.537 -166.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -85.88 89.96 7.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.89 -1.05 . . . . 55.52 109.005 171.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.965 ' HB ' HG22 ' A' ' 74' ' ' ILE . 61.0 t -93.0 134.16 31.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 116.301 -0.409 . . . . 42.21 109.917 -172.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -111.29 141.91 44.2 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.579 0.704 . . . . 70.04 112.044 -173.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.713 HG22 ' H ' ' A' ' 12' ' ' ASP . 3.6 m -143.91 -171.42 3.54 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.76 -1.57 . . . . 71.24 106.76 172.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.713 ' H ' HG22 ' A' ' 11' ' ' THR . 24.8 t70 -81.47 153.11 27.03 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.081 -0.711 . . . . 73.12 109.081 173.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.78 -32.69 78.39 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.057 -0.592 . . . . 74.33 114.271 -173.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 p -143.48 172.52 12.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.421 0.61 . . . . 74.21 111.945 -172.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -73.84 131.81 41.9 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.006 -0.739 . . . . 73.3 109.006 175.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.65 HG22 HD22 ' A' ' 17' ' ' ASN . 9.3 p -99.24 131.0 47.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.192 0.52 . . . . 72.1 111.047 -173.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.65 HD22 HG22 ' A' ' 16' ' ' VAL . 52.2 m-80 57.99 26.97 14.13 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.467 -0.788 . . . . 74.4 111.599 -177.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.77 3.0 90.43 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.026 -0.607 . . . . 53.13 113.044 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.575 ' HB3' HD22 ' A' ' 135' ' ' LEU . 18.7 mm-40 -103.12 143.24 32.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.042 0.449 . . . . 60.15 110.872 -178.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -128.33 146.38 50.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.812 -0.631 . . . . 73.24 111.117 -177.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 38' ' ' ASP . . . -152.69 166.14 33.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.523 -0.762 . . . . 72.0 109.238 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -98.65 130.75 45.17 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.512 -0.475 . . . . 63.42 109.842 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.35 145.43 6.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.161 -0.472 . . . . 73.32 110.905 -177.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.419 ' HB2' ' CG1' ' A' ' 9' ' ' VAL . 44.2 p90 -167.28 140.23 3.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.941 -0.572 . . . . 73.14 109.698 174.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.477 ' HB2' ' HB3' ' A' ' 35' ' ' GLU . . . -108.51 116.7 32.46 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.295 -0.411 . . . . 74.41 110.269 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -84.59 107.89 17.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.864 0.84 . . . . 72.45 111.313 -176.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 p -92.65 129.89 42.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 114.781 -1.1 . . . . 71.02 110.462 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.585 ' HG2' ' CE1' ' A' ' 7' ' ' TYR . 25.6 mtpp -134.6 127.57 31.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.9 -0.591 . . . . 70.33 110.223 -176.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.0 t70 63.98 24.88 13.74 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.752 -0.658 . . . . 74.13 111.099 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.62 -15.82 61.4 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.734 -0.746 . . . . 54.44 113.091 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -112.74 161.13 17.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.059 0.457 . . . . 73.44 110.75 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -106.67 126.51 62.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.092 -0.504 . . . . 73.04 109.939 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 -83.91 -59.02 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.5 -0.318 . . . . 63.11 111.19 -177.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -139.66 145.91 39.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.644 0.259 . . . . 73.22 111.326 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.477 ' HB3' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -139.83 132.92 29.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.775 -0.648 . . . . 70.54 110.489 174.628 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.561 ' HB2' ' HB ' ' A' ' 51' ' ' VAL . 34.3 t0 -162.42 171.32 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.817 -0.438 . . . . 72.24 109.817 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -148.94 152.37 36.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.361 -0.381 . . . . 71.11 110.524 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.47 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 22.6 t70 -147.28 157.2 43.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.473 -0.33 . . . . 64.43 110.4 176.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.7 m -106.9 130.34 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-O 121.288 0.565 . . . . 73.12 111.674 -176.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.63 -164.03 28.88 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.89 -0.671 . . . . 70.03 112.333 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -141.13 112.52 7.45 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 122.173 0.189 . . . . 75.02 110.782 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.582 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 87.5 m-20 -130.13 142.07 44.11 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-O 120.735 0.302 . . . . 62.3 110.369 176.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 42' ' ' ASN . 6.8 Cg_exo -75.77 -55.55 0.07 OUTLIER 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 123.174 2.583 . . . . 63.03 112.943 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.21 -24.51 47.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.18 0.514 . . . . 73.13 110.986 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.582 ' HB3' ' HB2' ' A' ' 42' ' ' ASN . . . -86.79 8.93 20.69 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.813 -0.631 . . . . 62.12 111.414 -177.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.59 -27.27 2.68 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.874 0.694 . . . . 71.22 112.874 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.414 HG22 ' HA2' ' A' ' 53' ' ' GLY . 16.0 p -80.87 -59.61 2.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.96 0.41 . . . . 74.02 110.179 174.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 2.5 tpt 68.14 -68.54 0.17 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.692 1.197 . . . . 72.14 112.435 170.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 49' ' ' ARG . 13.9 mtm180 -104.95 -85.59 0.48 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.356 -0.384 . . . . 75.11 111.219 -172.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -165.49 -53.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.617 0.246 . . . . 64.31 110.995 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.561 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 36.9 t -73.88 -39.8 52.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.864 0.364 . . . . 72.22 110.076 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.64 -23.61 52.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.975 -0.557 . . . . 71.33 111.083 174.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.414 ' HA2' HG22 ' A' ' 47' ' ' THR . . . -62.34 -37.13 94.09 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.775 -0.726 . . . . 34.14 111.701 175.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -72.24 -36.93 69.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.186 0.517 . . . . 73.33 109.795 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.19 -38.18 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.401 -0.818 . . . . 73.45 110.969 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.31 -35.73 67.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.33 -0.395 . . . . 41.4 111.215 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.89 -39.72 42.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 73.1 110.8 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.69 -31.22 72.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.034 -0.53 . . . . 73.51 110.926 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.2 tp -63.57 -34.32 77.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.113 -0.494 . . . . 63.22 110.68 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -68.04 -31.01 70.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 73.3 109.784 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.77 -31.09 71.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 63.31 110.183 175.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 110' ' ' TYR . 43.5 t -72.15 -36.36 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.964 -0.562 . . . . 54.11 109.965 176.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 1.2 tmtp? -61.83 -40.29 94.76 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.263 -0.643 . . . . 75.24 109.263 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -62.69 -31.51 72.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.579 -0.737 . . . . 75.41 111.379 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.98 -28.43 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.093 0.405 . . . . 74.14 112.093 -176.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.1 p -61.36 -34.62 75.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.864 0.364 . . . . 71.13 110.779 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -70.01 -38.29 75.91 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.916 -0.584 . . . . 64.33 110.932 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.7 mp -79.19 -25.22 42.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.11 -0.496 . . . . 73.11 110.763 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.76 25.7 31.67 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.888 -0.673 . . . . 74.31 112.065 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.1 m -112.03 143.12 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.808 0.337 . . . . 74.12 110.154 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -119.59 153.8 34.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.351 -0.386 . . . . 72.14 110.089 -177.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.777 HD11 ' HD1' ' A' ' 110' ' ' TYR . 2.7 pp -114.52 146.15 19.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.502 -0.555 . . . . 74.02 109.502 177.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -112.3 102.6 10.74 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.881 0.372 . . . . 65.03 111.469 -175.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.965 HG22 ' HB ' ' A' ' 9' ' ' VAL . 2.3 pp . . . . . 0 N--CA 1.45 -0.452 0 N-CA-C 108.763 -0.828 . . . . 71.14 108.763 171.587 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.504 ' NH2' ' HA ' ' A' ' 111' ' ' SER . 11.8 mmp_? . . . . . 0 CA--C 1.523 -0.085 0 CA-C-O 120.856 0.36 . . . . 75.41 110.608 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.87 -81.47 0.28 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.46 -0.876 . . . . 72.23 112.294 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.779 HD13 ' H ' ' A' ' 109' ' ' ILE . 0.2 OUTLIER -78.99 -29.76 14.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 111.634 0.235 . . . . 73.44 111.634 -177.212 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.777 ' HD1' HD11 ' A' ' 72' ' ' ILE . 83.8 t80 -139.49 144.01 37.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.183 0.516 . . . . 62.23 111.001 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.504 ' HA ' ' NH2' ' A' ' 107' ' ' ARG . 33.6 m -156.36 170.89 21.24 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.43 -0.952 . . . . 61.01 108.43 177.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -126.74 136.87 53.01 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.591 -1.262 . . . . 75.12 107.591 171.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -132.3 153.93 50.2 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.493 0.923 . . . . 74.42 113.493 -171.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.759 ' HE3' ' H ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -105.36 97.41 7.25 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 113.89 -1.505 . . . . 64.22 109.121 -177.242 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 25.4 m -108.63 145.68 15.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.264 0.554 . . . . 74.04 110.912 -175.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 116' ' ' LYS . 42.1 tptt -102.73 84.75 2.45 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.759 -0.83 . . . . 74.1 108.759 175.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -131.49 153.15 50.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.957 -0.565 . . . . 64.51 111.321 -174.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -119.15 15.62 13.2 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.76 0.79 . . . . 74.32 108.932 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.9 t -86.81 35.19 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.193 -0.912 . . . . 74.4 110.664 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -58.87 106.54 0.91 Allowed Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.652 -0.579 . . . . 72.4 111.652 177.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -72.81 163.43 28.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.723 -0.238 . . . . 72.24 110.497 -178.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.68 -25.27 67.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.618 0.247 . . . . 64.34 111.471 -177.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -70.81 -26.72 63.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 72.44 111.063 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -59.14 -27.57 65.76 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.137 -0.483 . . . . 50.35 111.461 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -54.13 -31.96 53.82 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.347 0.404 . . . . 71.54 111.355 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -69.45 -54.24 15.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.46 -0.336 . . . . 71.32 111.249 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.412 HG11 ' HA ' ' A' ' 11' ' ' THR . 12.4 p -68.34 -26.69 34.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.972 0.415 . . . . 53.42 110.233 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.41 -54.89 22.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.897 -0.592 . . . . 70.42 111.075 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -61.59 -33.1 73.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.753 0.311 . . . . 75.34 110.645 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -68.65 -50.63 49.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.323 -0.399 . . . . 64.1 110.683 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.35 -46.45 83.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.354 -0.385 . . . . 63.52 111.356 -178.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.42 ' HE3' HG21 ' A' ' 16' ' ' VAL . 46.7 mttp -60.01 -45.64 92.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.353 -0.385 . . . . 73.23 111.747 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.7 t -65.39 -34.81 79.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.616 0.246 . . . . 74.32 110.619 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.08 -24.21 64.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 51.14 111.165 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.575 HD22 ' HB3' ' A' ' 19' ' ' GLN . 96.6 mt -92.91 3.94 54.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.067 -0.515 . . . . 62.25 110.115 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.15 12.38 82.44 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.617 -0.72 . . . . 75.24 112.645 177.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 63.9 mt . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 120.94 0.4 . . . . 72.44 110.579 -177.849 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.468 0.473 0 CA-C-O 121.248 0.547 . . . . 65.43 110.309 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -128.09 8.59 6.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.065 -0.516 . . . . 72.43 112.116 -170.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.0 t -145.19 118.86 9.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.921 0.391 . . . . 72.13 111.446 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 59.47 98.36 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.592 -0.731 . . . . 75.0 111.921 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.74 ' HB2' HG22 ' A' ' 72' ' ' ILE . 93.2 m-85 -92.15 157.52 16.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.833 -0.621 . . . . 74.51 110.844 -178.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -92.61 116.67 29.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.713 -0.676 . . . . 74.3 111.028 -177.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.405 ' HB ' HD13 ' A' ' 72' ' ' ILE . 88.5 t -125.88 111.96 28.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.176 -0.676 . . . . 62.42 109.176 173.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.52 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 90.4 m-85 -97.33 148.87 22.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.029 0.443 . . . . 75.31 110.91 -176.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 13.9 m -151.07 137.73 18.81 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.691 -0.686 . . . . 72.0 109.233 177.579 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.401 ' HB2' HD21 ' A' ' 124' ' ' ASN . 31.1 t70 -163.03 77.24 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.282 -0.636 . . . . 73.52 109.282 176.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.78 ' HA2' ' HA ' ' A' ' 115' ' ' VAL . . . 107.37 156.17 19.98 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.617 -0.72 . . . . 64.55 112.218 -177.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.475 ' H ' HG22 ' A' ' 115' ' ' VAL . 70.0 m -158.48 -51.13 0.06 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.178 -0.675 . . . . 71.1 109.178 177.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.78 ' HB3' ' HD1' ' A' ' 20' ' ' TYR . 39.1 p90 -110.57 164.19 12.97 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.766 -0.652 . . . . 71.32 109.357 173.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.583 HG22 HD22 ' A' ' 17' ' ' ASN . 5.8 p -142.57 111.73 2.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.172 0.51 . . . . 72.44 109.847 174.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.583 HD22 HG22 ' A' ' 16' ' ' VAL . 65.0 m-80 57.74 36.36 26.46 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.699 -0.682 . . . . 64.32 111.659 -178.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.2 -26.26 25.25 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.93 -0.577 . . . . 62.3 114.384 172.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 4.6 pt20 -82.49 126.39 32.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 118.221 1.01 . . . . 54.23 109.002 176.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.78 ' HD1' ' HB3' ' A' ' 15' ' ' TYR . 73.2 t80 -116.25 137.34 52.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.483 0.659 . . . . 71.33 112.356 -167.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.07 151.57 51.29 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.21 -1.033 . . . . 74.21 108.21 169.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.651 ' HZ2' ' HG3' ' A' ' 49' ' ' ARG . 27.4 p-90 -100.15 128.61 46.2 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.072 -0.651 . . . . 75.22 110.1 179.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . . . -154.69 135.45 13.61 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.496 -0.774 . . . . 52.01 110.33 -176.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -146.32 138.05 24.8 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.336 -0.616 . . . . 73.13 109.336 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . . . -91.29 101.26 13.96 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.055 0.455 . . . . 63.22 110.672 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.33 100.16 12.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.675 -0.693 . . . . 65.33 109.19 174.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 31' ' ' LYS . 2.4 p -127.81 128.01 68.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.612 -0.722 . . . . 73.45 111.112 -172.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 30.8 ttmt -106.99 128.31 54.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.996 -0.547 . . . . 55.44 110.157 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.8 t70 66.89 11.37 8.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.705 -0.68 . . . . 71.22 111.685 172.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.0 14.21 55.18 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.66 -0.781 . . . . 65.14 113.123 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -126.91 138.75 53.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.177 0.513 . . . . 65.41 110.58 175.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.3 t -90.85 123.96 43.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.923 -0.58 . . . . 65.22 110.58 -176.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -75.84 -40.72 54.29 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.076 0.399 . . . . 75.23 112.076 -177.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -144.82 147.13 32.51 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.75 -0.463 . . . . 73.04 109.75 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -109.06 120.9 43.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.389 -0.369 . . . . 33.14 111.125 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -174.34 173.08 3.08 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.184 0.516 . . . . 75.21 111.574 173.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 23' ' ' ALA . . . 175.09 103.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.968 1.307 . . . . 73.41 107.723 -174.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -112.02 168.01 9.93 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.243 -0.583 . . . . 61.33 111.972 -167.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.9 m -102.79 -176.33 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 115.675 -0.693 . . . . 64.4 110.642 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.67 51.13 21.72 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.756 -0.735 . . . . 73.03 112.191 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -66.73 95.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.113 0.483 . . . . 71.3 109.934 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.451 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 49.3 m-80 -145.85 148.19 35.15 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.92 -0.77 . . . . 60.15 108.92 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.18 -49.05 13.5 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.991 2.461 . . . . 73.0 113.047 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.57 -41.51 31.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.874 0.368 . . . . 75.54 111.124 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' ' 42' ' ' ASN . . . -66.56 -41.61 88.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 63.43 111.821 -175.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.12 -34.88 77.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.508 -0.315 . . . . 71.14 110.892 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 m -71.29 -26.47 62.88 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.203 0.525 . . . . 64.45 110.368 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.9 mtm -88.05 29.0 0.97 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.215 0.531 . . . . 70.15 110.973 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.651 ' HG3' ' HZ2' ' A' ' 22' ' ' TRP . 2.2 mmp_? -108.52 130.82 55.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.263 -0.643 . . . . 72.21 109.263 173.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -70.05 -26.31 63.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.324 0.583 . . . . 54.42 110.382 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.2 t -72.59 -29.36 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.768 -0.651 . . . . 72.44 110.497 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . . . -63.88 -15.04 58.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.575 -0.739 . . . . 73.33 112.875 -172.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.04 -49.24 50.06 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.114 -0.565 . . . . 72.44 112.533 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.49 -31.86 67.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.807 0.336 . . . . 71.33 110.527 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.5 mm -62.19 -44.54 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.047 -0.524 . . . . 74.31 110.219 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.61 93.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.85 -0.614 . . . . 63.23 110.564 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.44 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . . . -63.53 -38.93 93.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 62.4 110.554 178.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -64.31 -34.72 78.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 44.31 110.715 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.34 -44.76 92.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 74.32 109.686 177.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.44 ' CD2' ' HA ' ' A' ' 57' ' ' ALA . 17.2 m-85 -65.48 -39.65 92.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.102 -0.499 . . . . 75.25 110.222 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.66 -46.94 87.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.84 -0.618 . . . . 75.12 111.013 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 58' ' ' ALA . 94.8 t -64.78 -36.55 77.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.075 0.464 . . . . 54.31 110.441 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -65.3 -38.32 89.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.902 -0.59 . . . . 72.11 110.39 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -70.86 -38.05 73.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.074 -0.512 . . . . 74.1 110.665 176.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.415 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -56.86 -32.02 65.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 62.04 110.983 179.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -60.01 -34.55 73.5 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.743 -0.662 . . . . 72.24 110.788 178.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -76.72 -38.83 53.61 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.888 0.375 . . . . 71.34 110.813 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.7 -13.77 61.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 71.13 110.936 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.19 27.4 44.77 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.835 -0.697 . . . . 65.42 112.179 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.415 HG23 ' HB1' ' A' ' 65' ' ' ALA . 30.9 m -126.01 173.01 12.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 110.079 -0.341 . . . . 54.31 110.079 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.542 ' HB2' ' HA ' ' A' ' 109' ' ' ILE . 0.0 OUTLIER -153.26 -173.18 4.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.879 0.371 . . . . 75.53 110.48 179.462 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.74 HG22 ' HB2' ' A' ' 7' ' ' TYR . 2.8 pp -108.43 162.32 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.815 -0.629 . . . . 75.11 109.388 173.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -77.83 115.59 17.7 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.234 -0.586 . . . . 73.4 110.011 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.524 HG22 ' HA ' ' A' ' 111' ' ' SER . 2.4 pp . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.819 -0.628 . . . . 72.21 111.182 -177.069 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.447 ' HD2' ' HE1' ' A' ' 112' ' ' PHE . 27.1 mmt180 . . . . . 0 N--CA 1.451 -0.401 0 N-CA-C 109.341 -0.615 . . . . 74.14 109.341 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 122.22 -21.01 7.87 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.407 -0.901 . . . . 71.45 111.851 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.542 ' HA ' ' HB2' ' A' ' 71' ' ' LYS . 51.6 mt -79.02 -29.24 13.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.346 0.594 . . . . 64.45 109.967 177.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -127.17 156.6 41.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.516 -0.765 . . . . 71.24 109.599 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.524 ' HA ' HG22 ' A' ' 74' ' ' ILE . 15.5 t -74.18 155.66 38.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.964 0.411 . . . . 64.14 110.51 -175.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.447 ' HE1' ' HD2' ' A' ' 107' ' ' ARG . 36.6 m-85 -103.07 151.78 22.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.136 -0.483 . . . . 70.31 110.407 -176.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -96.17 98.38 10.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.861 0.839 . . . . 65.4 110.756 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -131.66 143.87 50.61 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.287 -0.869 . . . . 75.21 109.207 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . 0.78 ' HA ' ' HA2' ' A' ' 13' ' ' GLY . 95.8 t -95.89 121.46 46.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.291 0.567 . . . . 62.21 111.592 -176.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 116' ' ' LYS . 30.7 mmtm -147.56 172.21 14.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.641 -1.163 . . . . 75.33 107.92 172.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -140.44 40.66 1.9 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.898 0.38 . . . . 60.21 110.602 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -143.25 4.91 1.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.386 -0.37 . . . . 61.01 110.934 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.66 2.49 18.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.622 0.725 . . . . 75.43 109.385 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . 0.591 ' HA2' ' ND2' ' A' ' 124' ' ' ASN . . . -81.29 90.67 1.42 Allowed Glycine 0 N--CA 1.439 -1.109 0 CA-C-N 114.918 -1.037 . . . . 73.3 112.614 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -64.84 173.94 2.07 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.73 -0.47 . . . . 62.42 109.73 173.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -45.33 -53.79 8.04 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.995 0.739 . . . . 72.15 112.995 -174.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -76.42 -26.84 55.94 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.336 -0.393 . . . . 64.1 111.55 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.591 ' ND2' ' HA2' ' A' ' 120' ' ' GLY . 51.2 t30 -76.33 -42.27 45.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.952 0.406 . . . . 71.35 110.719 -177.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.52 -28.26 68.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.146 0.498 . . . . 72.54 110.518 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.412 ' O ' ' HB3' ' A' ' 129' ' ' MET . 53.6 t80 -64.32 -32.17 73.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.901 -0.591 . . . . 65.21 110.805 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.446 HG21 ' HB2' ' A' ' 25' ' ' ALA . 44.2 t -65.51 -44.12 94.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.975 0.417 . . . . 72.35 109.909 177.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.22 -30.71 71.8 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.925 -0.58 . . . . 42.02 110.649 176.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.412 ' HB3' ' O ' ' A' ' 126' ' ' TYR . 49.4 ttm -58.84 -39.79 82.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.853 -0.612 . . . . 74.21 110.493 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 11.9 tmtt? -78.73 -36.93 42.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.515 -0.311 . . . . 73.21 110.22 176.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.29 -52.08 56.53 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.662 0.616 . . . . 63.32 112.662 -174.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -66.16 -30.89 71.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.77 0.319 . . . . 74.13 111.247 -177.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 55.6 m -71.32 -29.08 64.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.887 0.375 . . . . 64.34 110.87 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.61 -20.76 65.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.201 0.524 . . . . 54.52 110.223 175.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 85.8 mt -88.37 -7.1 57.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.606 -0.724 . . . . 73.03 109.836 177.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 96.02 18.04 33.02 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.898 -0.668 . . . . 62.12 112.853 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 61.3 mt . . . . . 0 C--N 1.325 -0.484 0 O-C-N 122.809 -0.23 . . . . 75.01 110.931 -178.312 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.447 -0.617 0 CA-C-O 121.675 0.75 . . . . 74.53 109.658 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -108.56 -0.72 20.16 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.073 -0.967 . . . . 71.04 110.382 -175.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.1 p -73.16 146.47 45.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.617 -0.719 . . . . 65.42 111.391 -178.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -62.91 137.49 58.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.877 -0.601 . . . . 63.12 110.111 174.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.876 ' HB2' HG22 ' A' ' 72' ' ' ILE . 57.5 m-85 -72.95 137.66 45.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.146 0.498 . . . . 61.21 111.354 -174.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -116.24 134.06 55.33 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.258 -1.015 . . . . 63.25 108.258 173.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.69 119.17 51.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.53 0.681 . . . . 72.31 111.044 -173.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' A' ' 123' ' ' PHE . 42.5 m-85 -106.39 144.46 33.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.867 -0.606 . . . . 73.24 110.979 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.2 t -140.74 101.85 4.17 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.73 -0.668 . . . . 61.3 109.748 177.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -91.4 136.57 33.02 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.155 0.503 . . . . 74.53 110.47 -176.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.01 31.43 1.86 Allowed Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 110.369 -1.092 . . . . 53.32 110.369 175.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.0 t -85.93 103.54 14.74 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.162 -0.519 . . . . 75.32 110.453 -175.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.678 ' HB3' ' HB3' ' A' ' 20' ' ' TYR . 19.0 p90 -60.29 133.82 56.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.882 -0.599 . . . . 75.15 110.803 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.663 HG22 HD22 ' A' ' 17' ' ' ASN . 8.5 p -125.06 132.32 71.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.855 -0.612 . . . . 64.52 110.081 -177.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.663 HD22 HG22 ' A' ' 16' ' ' VAL . 38.6 m-80 59.65 27.72 17.01 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.915 -176.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.6 -0.42 88.21 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.942 -0.647 . . . . 71.23 113.029 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -112.6 126.69 55.63 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.59 -0.359 . . . . 74.32 110.69 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.678 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 32.6 p90 -103.48 159.91 15.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.106 -0.497 . . . . 75.02 111.339 -176.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.99 169.85 22.5 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.654 -0.869 . . . . 62.43 108.654 176.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.413 ' HH2' ' HB2' ' A' ' 49' ' ' ARG . 22.1 p-90 -137.32 129.72 29.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.137 0.494 . . . . 71.01 110.272 176.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -144.5 151.93 39.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.768 -0.651 . . . . 74.34 111.108 -174.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -122.7 138.44 54.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.206 -0.452 . . . . 74.15 110.611 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.557 ' HB2' ' HB ' ' A' ' 127' ' ' VAL . . . -131.69 109.24 10.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.771 -0.65 . . . . 41.4 110.34 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -99.14 107.28 19.6 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.466 -0.568 . . . . 72.4 109.466 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 p -110.72 139.17 35.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.331 0.586 . . . . 51.44 111.491 -175.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.409 ' HD2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -143.87 134.26 24.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.482 -0.781 . . . . 71.12 109.594 177.358 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.5 t70 63.98 8.8 4.15 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.398 0.618 . . . . 72.42 111.781 175.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.93 -6.6 64.39 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.868 -0.682 . . . . 62.02 111.745 -177.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -104.95 159.05 16.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.864 0.364 . . . . 64.43 110.307 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.7 t -85.96 118.16 32.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.257 -0.429 . . . . 75.13 110.4 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -87.0 -38.72 16.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.151 -0.477 . . . . 63.12 109.997 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -153.58 142.99 21.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.908 -0.587 . . . . 73.03 110.15 175.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -145.94 139.74 26.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.305 -0.407 . . . . 74.25 110.146 177.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -167.04 146.29 5.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.58 -0.526 . . . . 75.33 109.58 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -141.95 134.85 28.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.634 -0.257 . . . . 52.21 111.056 -176.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -138.06 174.96 10.01 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.605 -0.517 . . . . 55.23 109.605 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.8 m -128.99 168.33 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-O 120.751 0.31 . . . . 62.52 111.246 -175.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.22 122.08 0.34 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.976 -0.63 . . . . 53.44 113.044 175.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.425 ' N ' ' HE1' ' A' ' 20' ' ' TYR . 58.9 mtpt -111.57 87.73 2.62 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.434 -0.58 . . . . 71.33 109.434 176.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -126.68 153.54 75.62 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.288 -0.869 . . . . 64.01 110.122 -177.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.52 -26.82 83.65 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.527 2.151 . . . . 50.04 112.122 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.23 -25.5 63.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 72.44 111.113 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.27 3.98 19.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.344 -0.389 . . . . 71.44 111.026 -177.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.73 -35.26 33.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.373 -0.376 . . . . 61.21 110.851 178.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.2 m -90.33 -35.1 15.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.03 0.443 . . . . 71.12 111.066 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.9 ptm -118.03 80.08 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.46 0.648 . . . . 74.24 111.245 -175.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.422 ' C ' ' H ' ' A' ' 51' ' ' VAL . 14.5 ptt180 -132.42 -24.24 2.05 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.746 -0.661 . . . . 73.0 111.033 176.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 73.08 -30.68 0.21 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.56 0.744 . . . . 74.24 112.085 175.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.422 ' H ' ' C ' ' A' ' 49' ' ' ARG . 45.2 t -50.61 -27.49 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 123.816 0.847 . . . . 73.14 112.006 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.54 -30.3 12.69 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.258 0.466 . . . . 72.42 112.258 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.87 -35.47 58.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.82 -0.705 . . . . 74.1 112.179 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -71.29 -44.78 64.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.718 0.294 . . . . 72.23 110.958 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.2 pt -69.09 -31.37 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.851 0.358 . . . . 62.3 110.94 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.86 -39.38 90.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.289 -0.414 . . . . 75.55 110.299 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.41 73.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.055 -0.52 . . . . 62.2 110.604 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.537 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -66.36 -36.64 83.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.969 -0.56 . . . . 63.44 110.509 176.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.25 -43.21 95.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 71.33 110.436 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -64.6 -33.9 77.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 72.54 110.403 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.67 -37.04 85.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 64.52 110.733 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 58' ' ' ALA . 91.4 t -61.54 -39.02 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-O 121.171 0.51 . . . . 72.24 110.37 176.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.97 -40.18 95.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.725 -0.67 . . . . 73.11 110.588 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -73.71 -33.6 64.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.036 -0.529 . . . . 74.43 110.653 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.62 -27.79 51.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.886 -0.597 . . . . 60.52 111.965 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.3 t -56.11 -36.66 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.412 -0.358 . . . . 72.24 110.739 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -71.16 -30.67 66.74 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.139 -0.482 . . . . 60.2 111.06 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.6 mp -89.71 -17.22 28.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.22 -0.445 . . . . 62.53 110.906 -177.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.33 47.24 23.45 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.96 -0.638 . . . . 75.52 112.004 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.8 m -129.49 168.65 22.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 110.322 -0.251 . . . . 74.31 110.322 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.527 ' HE2' ' O ' ' A' ' 108' ' ' GLY . 15.8 ptpt -131.04 173.53 10.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.488 -0.324 . . . . 64.15 110.613 -179.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.876 HG22 ' HB2' ' A' ' 7' ' ' TYR . 16.1 pt -131.47 153.75 39.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 116.439 -0.346 . . . . 53.14 110.509 173.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 73' ' ' ARG . 46.8 mtp180 -96.92 102.18 13.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 61.34 110.41 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 112' ' ' PHE . 33.6 mt . . . . . 0 C--N 1.322 -0.615 0 CA-C-N 116.693 -0.231 . . . . 62.1 110.804 -175.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.56 ' HA ' ' CE1' ' A' ' 110' ' ' TYR . 28.7 ttt180 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 121.055 0.455 . . . . 73.54 110.657 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . 0.527 ' O ' ' HE2' ' A' ' 71' ' ' LYS . . . 122.12 -38.44 2.59 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.76 -0.936 . . . . 64.02 110.76 -175.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.1 mt -73.19 -39.27 56.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.837 0.827 . . . . 73.42 109.175 174.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.56 ' CE1' ' HA ' ' A' ' 107' ' ' ARG . 36.2 p90 -104.33 145.49 30.17 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.299 -0.864 . . . . 64.53 109.047 173.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 27.5 p -159.16 141.76 14.06 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.332 -0.618 . . . . 60.34 109.332 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 74' ' ' ILE . 67.4 m-85 -101.89 136.46 41.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.905 0.383 . . . . 75.04 110.028 -177.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -138.06 140.49 40.06 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.136 -0.484 . . . . 64.4 109.771 -177.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.417 ' H ' ' HG2' ' A' ' 114' ' ' LYS . 17.7 pttt -84.82 128.02 34.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.87 0.367 . . . . 74.32 110.986 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.9 p -131.61 112.33 20.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.382 0.611 . . . . 71.11 110.757 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -153.1 95.63 1.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.534 -0.913 . . . . 63.23 108.534 177.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -155.45 158.79 39.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.022 -0.536 . . . . 64.01 110.738 -176.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -92.63 -17.8 23.88 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.906 -0.776 . . . . 72.22 108.906 173.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.3 m -82.45 35.55 0.45 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.151 -0.932 . . . . 50.15 111.08 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -66.2 144.84 46.82 Favored Glycine 0 N--CA 1.431 -1.636 0 N-CA-C 111.668 -0.573 . . . . 22.04 111.668 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -67.62 177.02 2.15 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.005 -0.598 . . . . 73.11 111.368 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -49.1 -47.4 45.25 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.785 -0.643 . . . . 75.13 112.264 -176.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.429 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 50.4 m-85 -64.77 -26.73 68.48 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.834 -0.621 . . . . 72.5 111.459 -174.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.432 HD22 ' C ' ' A' ' 124' ' ' ASN . 0.2 OUTLIER -71.0 -43.37 68.14 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.422 -0.585 . . . . 73.15 109.422 178.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.439 ' HA ' ' HB3' ' A' ' 128' ' ' ASP . 31.7 t70 -73.43 -29.27 62.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.357 0.598 . . . . 73.14 110.109 178.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -62.53 -48.77 78.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.507 -0.77 . . . . 72.34 110.789 177.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.557 ' HB ' ' HB2' ' A' ' 25' ' ' ALA . 8.9 p -74.67 -27.61 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 121.003 0.43 . . . . 74.33 110.243 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.439 ' HB3' ' HA ' ' A' ' 125' ' ' ASP . 2.0 t70 -60.69 -46.34 90.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.905 -0.589 . . . . 74.02 110.387 174.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -59.77 -37.33 78.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 54.23 110.476 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -61.77 -47.42 85.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 72.52 110.649 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.7 93.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.935 -0.575 . . . . 73.43 111.363 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.463 ' HE3' HG11 ' A' ' 16' ' ' VAL . 31.6 mttp -59.12 -39.64 82.92 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.487 -0.324 . . . . 61.45 111.116 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 50.8 m -61.06 -30.79 70.54 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.193 -0.458 . . . . 62.03 111.265 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.68 -17.75 57.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 61.02 111.256 178.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 98.1 mt -94.22 -17.43 22.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.272 -0.422 . . . . 72.54 110.954 -178.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 95.21 -7.3 69.24 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.714 -0.755 . . . . 73.22 111.408 -176.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 63.2 mt . . . . . 0 C--N 1.326 -0.443 0 N-CA-C 109.104 -0.702 . . . . 52.2 109.104 177.499 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.404 ' HB3' ' HE1' ' A' ' 7' ' ' TYR . 70.2 m-20 . . . . . 0 N--CA 1.471 0.576 0 N-CA-C 112.74 0.645 . . . . 74.35 112.74 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -121.4 12.52 10.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.519 0.676 . . . . 73.24 109.902 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.27 175.13 7.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.132 -0.94 . . . . 70.12 111.0 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.455 ' CD ' ' HD3' ' A' ' 73' ' ' ARG . 32.2 tt0 -71.8 114.07 9.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.236 -0.438 . . . . 75.54 109.964 178.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.404 ' HE1' ' HB3' ' A' ' 3' ' ' ASP . 42.1 m-85 -73.21 127.79 33.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.969 -0.559 . . . . 75.04 110.845 -176.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.529 ' O ' HG13 ' A' ' 27' ' ' VAL . 14.6 p-10 -109.29 110.25 21.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.409 0.623 . . . . 71.12 110.196 177.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.403 HG11 ' HE2' ' A' ' 110' ' ' TYR . 52.4 t -107.99 136.08 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.923 -0.581 . . . . 52.31 110.629 -175.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.53 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 9.2 m-85 -110.67 133.05 53.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.251 0.548 . . . . 70.44 110.639 177.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.2 m -142.1 140.32 32.47 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.941 -0.762 . . . . 72.24 108.941 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.741 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -80.35 160.36 25.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.341 0.591 . . . . 71.21 110.971 -175.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.69 ' HA3' ' HA ' ' A' ' 114' ' ' LYS . . . -157.65 30.68 0.51 Allowed Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.214 -1.154 . . . . 73.24 110.214 174.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.8 p -100.16 109.04 21.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.268 0.556 . . . . 70.24 111.877 -171.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -105.95 126.85 52.68 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.324 -0.621 . . . . 64.41 109.324 175.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.483 HG22 ' ND2' ' A' ' 17' ' ' ASN . 14.1 p -146.69 143.59 20.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 110.123 -0.325 . . . . 72.04 110.123 -177.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.483 ' ND2' HG22 ' A' ' 16' ' ' VAL . 57.8 m-80 60.69 27.2 16.94 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.938 0.495 . . . . 64.44 110.948 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.59 19.04 68.66 Favored Glycine 0 CA--C 1.52 0.372 0 CA-C-N 116.089 -0.505 . . . . 72.22 113.141 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.492 ' OE1' ' HB3' ' A' ' 135' ' ' LEU . 8.1 pt20 -131.36 147.61 52.59 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.852 -0.425 . . . . 74.13 109.852 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -141.68 138.1 32.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.014 0.435 . . . . 62.15 111.048 -175.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.3 141.99 51.76 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.312 -0.996 . . . . 74.21 108.312 172.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 49.5 p-90 -89.81 130.3 36.08 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.509 -0.477 . . . . 65.31 110.749 -175.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.741 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . . . -126.76 136.53 52.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.014 -0.539 . . . . 71.35 111.762 -179.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -125.59 138.51 53.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 75.14 109.91 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.614 ' HB2' HG11 ' A' ' 127' ' ' VAL . . . -133.81 104.07 6.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.939 0.4 . . . . 74.31 110.699 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -92.3 98.38 11.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.435 0.636 . . . . 74.45 110.025 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 8' ' ' ASP . 1.9 p -115.75 142.05 30.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 114.919 -1.037 . . . . 73.14 110.13 -176.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -127.75 118.4 23.71 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.59 -0.522 . . . . 75.5 109.59 179.214 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.4 t70 65.9 22.1 11.37 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.759 0.79 . . . . 72.44 110.373 175.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.96 8.85 64.52 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.638 -0.792 . . . . 62.04 112.607 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -112.14 121.66 45.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.954 -0.388 . . . . 51.23 109.954 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.426 HG22 ' HB ' ' A' ' 27' ' ' VAL . 38.6 t -90.7 104.15 15.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.881 -0.6 . . . . 55.1 109.665 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -30.2 50.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.203 -0.453 . . . . 71.31 110.48 -175.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -168.67 140.54 2.69 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.877 -0.601 . . . . 74.11 110.369 176.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.63 162.16 40.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.609 . . . . 73.52 109.606 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -173.98 171.89 3.54 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.881 0.372 . . . . 74.24 111.121 175.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.19 142.23 17.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.701 -0.681 . . . . 53.0 109.616 -177.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -153.72 176.3 12.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.895 0.379 . . . . 70.05 110.683 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 m -106.98 168.01 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 115.996 -0.547 . . . . 71.02 110.856 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.22 81.18 0.4 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.775 -0.726 . . . . 60.11 112.884 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -77.54 98.95 5.53 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.605 -0.517 . . . . 71.52 109.605 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -138.06 153.25 73.24 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.024 -0.535 . . . . 75.42 110.213 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.06 -46.56 32.22 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.92 2.413 . . . . 74.24 112.368 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.62 -37.6 81.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.529 -0.305 . . . . 61.13 111.359 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.421 ' HA ' ' HB2' ' A' ' 49' ' ' ARG . . . -67.0 -33.76 76.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 64.44 111.012 -178.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.39 -16.21 46.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.121 -0.49 . . . . 72.41 111.298 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.502 HG22 ' HG3' ' A' ' 48' ' ' MET . 26.6 m -95.56 -51.46 4.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.393 -0.367 . . . . 64.35 111.47 -177.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.502 ' HG3' HG22 ' A' ' 47' ' ' THR . 60.2 mtm -144.49 89.41 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.621 0.248 . . . . 74.4 110.507 -175.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.457 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -167.47 61.37 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.046 -0.353 . . . . 64.33 110.046 -178.785 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 64.19 -78.18 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.926 -0.579 . . . . 73.11 112.283 174.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.5 t -58.73 -29.11 39.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.148 0.499 . . . . 75.21 110.589 -179.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.4 ' HA ' HG12 ' A' ' 55' ' ' ILE . . . -53.19 -29.45 32.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.235 -0.893 . . . . 72.31 112.162 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.27 98.87 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.548 -0.834 . . . . 61.11 112.229 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -65.32 -46.12 81.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.955 0.407 . . . . 74.21 110.931 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.4 HG12 ' HA ' ' A' ' 52' ' ' ALA . 27.2 pt -73.16 -32.62 39.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.305 -0.407 . . . . 74.03 111.629 -176.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.43 98.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.967 0.413 . . . . 74.1 110.353 175.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.434 ' HA ' ' HD2' ' A' ' 60' ' ' TYR . . . -65.8 -37.74 87.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.993 -0.548 . . . . 63.34 110.655 177.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.87 -32.7 72.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.976 -0.557 . . . . 64.21 110.984 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.0 tp -61.81 -35.94 79.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.106 -0.497 . . . . 71.32 110.497 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.526 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 33.6 m-85 -60.3 -37.07 79.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.079 -0.51 . . . . 73.44 110.644 177.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.31 -35.79 80.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 75.05 110.645 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.5 t -72.21 -36.24 55.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.233 0.539 . . . . 52.03 110.142 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.475 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 7.6 tmtm? -62.9 -32.99 74.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.615 -0.721 . . . . 63.53 109.879 177.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 60' ' ' TYR . 94.8 mttt -73.02 -38.76 66.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.097 -0.501 . . . . 71.13 110.419 175.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.55 -44.37 85.16 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.535 -0.757 . . . . 65.41 112.472 -173.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.9 p -62.32 -35.46 79.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.981 0.419 . . . . 62.1 111.203 -177.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -83.18 -28.42 29.34 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.238 -0.437 . . . . 73.52 110.764 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.2 tp -76.02 -20.4 57.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.983 -0.553 . . . . 33.25 110.555 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.55 34.16 12.27 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.886 -0.673 . . . . 62.45 111.766 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.59 170.31 19.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.011 0.434 . . . . 64.21 110.363 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.521 ' HA ' HG23 ' A' ' 109' ' ' ILE . 19.8 ptpt -153.18 179.16 8.98 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.268 -0.642 . . . . 72.23 109.268 179.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -108.0 145.24 15.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 108.741 -0.837 . . . . 65.44 108.741 172.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.455 ' HD3' ' CD ' ' A' ' 6' ' ' GLU . 63.8 mtp180 -84.31 109.26 17.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.37 0.605 . . . . 65.12 110.443 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 38.2 pt . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 114.519 -1.219 . . . . 63.44 112.45 -172.344 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.438 ' HG3' ' HB3' ' A' ' 111' ' ' SER . 72.8 ttt180 . . . . . 0 N--CA 1.453 -0.275 0 CA-C-O 120.938 0.399 . . . . 72.5 110.329 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 148.16 -65.92 0.4 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.839 -0.696 . . . . 21.41 111.411 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.521 HG23 ' HA ' ' A' ' 71' ' ' LYS . 3.9 mp -80.18 -34.69 15.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.419 -0.585 . . . . 72.12 109.419 176.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.403 ' HE2' HG11 ' A' ' 9' ' ' VAL . 39.8 t80 -137.82 144.32 41.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.378 -0.828 . . . . 70.24 109.496 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.438 ' HB3' ' HG3' ' A' ' 107' ' ' ARG . 85.4 p -173.87 137.65 0.59 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.212 -0.662 . . . . 65.24 109.212 173.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -135.98 172.47 12.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.325 0.583 . . . . 75.04 112.039 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.5 tt0 -147.54 154.44 40.73 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.742 -1.117 . . . . 72.41 108.545 -171.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.69 ' HA ' ' HA3' ' A' ' 13' ' ' GLY . 53.2 mtpt -70.82 92.37 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.083 0.468 . . . . 74.31 110.448 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 49.7 t -86.72 134.55 27.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.659 -0.7 . . . . 72.41 110.79 -176.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -91.31 171.33 9.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.871 -0.604 . . . . 70.14 110.695 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.9 94.55 9.81 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.653 0.612 . . . . 71.15 112.653 -168.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -131.09 0.23 4.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.022 -0.535 . . . . 74.42 109.813 169.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.6 t -150.66 36.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.643 -0.708 . . . . 61.32 109.479 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.94 97.47 0.26 Allowed Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.789 -0.641 . . . . 73.23 112.901 -176.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -81.19 158.34 24.93 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.809 -0.441 . . . . 64.33 109.809 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.58 -15.44 62.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.424 -0.353 . . . . 74.31 111.691 -173.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -69.54 -34.92 74.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.291 0.567 . . . . 75.53 109.919 174.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -77.41 -28.03 52.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.67 -0.696 . . . . 63.11 109.68 177.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -56.2 -31.03 63.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.508 -0.769 . . . . 73.2 111.32 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -70.59 -43.45 69.35 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.191 0.441 . . . . 62.32 112.191 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.721 ' HB ' ' HB1' ' A' ' 23' ' ' ALA . 30.0 m -74.51 -28.82 22.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.361 -0.536 . . . . 63.13 109.887 176.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.72 -47.73 84.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.669 -0.696 . . . . 63.25 110.111 173.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 70.2 mtm -61.68 -44.81 96.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.582 . . . . 72.14 111.133 177.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -59.82 -44.26 94.11 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.644 0.259 . . . . 75.01 111.031 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.48 -45.75 92.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.933 0.397 . . . . 43.34 110.904 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.682 ' HB3' ' HB ' ' A' ' 137' ' ' ILE . 82.0 mttt -67.64 -34.4 76.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 72.44 111.404 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 56.1 m -61.91 -39.05 90.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.021 0.438 . . . . 52.21 110.637 177.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.32 -22.83 61.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.036 -0.529 . . . . 72.11 111.195 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.492 ' HB3' ' OE1' ' A' ' 19' ' ' GLN . 98.3 mt -97.56 -17.94 19.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 71.1 111.52 -176.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 93.1 23.04 25.95 Favored Glycine 0 C--O 1.237 0.302 0 C-N-CA 120.738 -0.744 . . . . 73.33 112.234 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.682 ' HB ' ' HB3' ' A' ' 132' ' ' LYS . 55.0 mt . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 109.692 -0.485 . . . . 62.44 109.692 -179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 . . . . . 0 C--O 1.233 0.208 0 CA-C-O 121.431 0.634 . . . . 72.41 111.565 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -137.7 2.23 2.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.484 -0.78 . . . . 70.25 110.106 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.95 96.61 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.213 0.449 . . . . 71.24 112.213 -169.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 43.9 101.77 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.51 1.124 . . . . 62.5 113.474 171.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.919 ' HB2' HG22 ' A' ' 72' ' ' ILE . 15.5 m-85 -73.01 125.65 28.13 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.225 -0.658 . . . . 72.2 109.225 178.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.529 ' O ' HG13 ' A' ' 27' ' ' VAL . 19.1 t70 -112.19 91.32 3.61 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.271 -0.422 . . . . 54.41 109.918 -174.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.581 HG13 ' HA ' ' A' ' 26' ' ' PHE . 41.1 t -99.71 115.93 41.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.898 -0.592 . . . . 62.54 110.113 -176.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 17.9 p90 -146.57 137.58 24.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.971 0.415 . . . . 74.21 111.506 -177.256 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.876 HG21 ' HA ' ' A' ' 24' ' ' TYR . 29.1 m -156.5 140.8 16.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.166 -0.679 . . . . 53.33 109.166 175.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.573 ' HB2' ' HB3' ' A' ' 117' ' ' ALA . 23.8 t70 -94.15 144.58 25.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.635 0.255 . . . . 72.2 110.527 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.76 66.2 3.79 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.866 -0.683 . . . . 63.11 111.712 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.2 m -71.2 152.78 43.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.101 0.477 . . . . 71.35 111.764 -176.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -131.55 171.14 13.78 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.099 -0.704 . . . . 72.25 109.099 177.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.558 HG22 HD22 ' A' ' 17' ' ' ASN . 13.5 p -154.84 134.62 3.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.726 0.298 . . . . 72.21 110.591 178.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.558 HD22 HG22 ' A' ' 16' ' ' VAL . 45.1 m-80 63.66 27.93 14.92 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.968 -0.56 . . . . 71.04 111.149 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.86 8.49 77.8 Favored Glycine 0 C--O 1.227 -0.298 0 C-N-CA 120.624 -0.798 . . . . 73.32 112.091 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -114.39 146.37 40.66 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.514 -0.55 . . . . 72.54 109.514 178.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -138.25 152.66 48.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.145 0.498 . . . . 53.22 111.424 -177.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.535 ' HB1' ' O ' ' A' ' 38' ' ' ASP . . . -140.88 167.41 22.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.095 -0.957 . . . . 61.5 108.716 178.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.433 ' NE1' ' HB3' ' A' ' 38' ' ' ASP . 60.0 p-90 -96.96 130.46 44.27 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.123 -0.631 . . . . 73.41 110.587 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.56 136.14 10.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.336 -0.847 . . . . 73.15 109.315 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.876 ' HA ' HG21 ' A' ' 11' ' ' THR . 39.5 p90 -162.23 163.31 28.31 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.54 -0.3 . . . . 70.24 110.45 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.38 129.2 30.9 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.104 -0.498 . . . . 75.21 111.259 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.581 ' HA ' HG13 ' A' ' 9' ' ' VAL . 81.1 m-85 -88.1 106.15 17.97 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.44 -0.578 . . . . 74.55 109.44 175.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 8' ' ' ASP . 2.5 p -111.18 128.17 67.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.312 0.577 . . . . 74.1 110.964 -178.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.44 120.51 35.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 74.0 110.678 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 62.61 18.7 10.74 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.191 0.519 . . . . 71.12 110.577 176.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.24 0.62 59.69 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.977 -0.556 . . . . 75.34 112.479 -178.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -102.72 134.5 46.01 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.925 -0.162 . . . . 74.41 110.713 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.7 p -79.89 121.4 33.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.242 0.544 . . . . 62.11 110.319 176.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -101.52 -35.8 9.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.335 -0.393 . . . . 62.13 110.932 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -152.43 146.8 25.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.413 -0.358 . . . . 73.1 110.716 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -160.77 151.74 18.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.847 -0.615 . . . . 71.25 110.002 174.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -175.2 169.03 3.34 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.356 -0.384 . . . . 63.32 110.136 173.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -151.03 139.88 20.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.767 0.318 . . . . 64.11 111.054 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.535 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 6.0 t0 -154.39 170.94 20.17 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.098 -1.075 . . . . 55.02 108.098 175.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.401 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 28.8 m -93.01 -176.25 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-O 120.536 0.208 . . . . 64.44 110.715 -175.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.26 97.57 0.33 Allowed Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 110.957 -0.857 . . . . 72.41 110.957 173.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 26.1 mtpp -83.64 179.85 7.51 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.313 0.578 . . . . 73.32 110.791 -173.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 13.4 m120 -87.12 143.68 35.15 Favored Pre-proline 0 C--N 1.312 -1.059 0 CA-C-N 115.43 -0.805 . . . . 64.34 110.533 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 42' ' ' ASN . 53.0 Cg_exo -55.96 -39.94 88.07 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.013 2.475 . . . . 75.21 112.703 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.05 -17.06 64.45 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.845 0.313 . . . . 60.04 111.845 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.09 -39.24 8.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.077 0.465 . . . . 72.15 110.57 177.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.491 ' HA ' ' HB3' ' A' ' 50' ' ' ASN . . . -67.14 -26.71 66.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.937 -0.574 . . . . 65.35 111.799 -177.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.2 p -62.06 -25.06 67.46 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.331 0.493 . . . . 75.31 112.331 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 40.6 ttm -87.72 47.49 1.51 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.395 0.616 . . . . 64.31 110.631 -177.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.406 ' HG2' ' HA2' ' A' ' 53' ' ' GLY . 7.4 ttm180 56.96 50.39 12.27 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.262 -0.881 . . . . 71.22 111.372 174.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.491 ' HB3' ' HA ' ' A' ' 46' ' ' ALA . 22.9 t-20 -85.18 -78.07 0.27 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.318 -0.401 . . . . 74.11 110.393 177.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 t -66.87 -30.87 51.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.631 0.729 . . . . 54.03 109.715 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.71 -15.39 62.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.117 -0.947 . . . . 74.33 111.533 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . 0.406 ' HA2' ' HG2' ' A' ' 49' ' ' ARG . . . -60.75 -54.29 38.24 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.989 -0.624 . . . . 73.15 113.197 -174.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -63.93 -47.19 81.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.645 0.259 . . . . 74.45 111.404 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.6 pt -67.93 -35.01 70.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.122 0.416 . . . . 73.13 112.122 -176.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.47 -35.24 77.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.892 0.377 . . . . 71.43 110.792 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.41 -39.21 74.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.16 0.505 . . . . 62.34 110.229 176.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -71.91 -25.71 62.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.81 -0.632 . . . . 72.43 111.109 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.9 tp -58.28 -35.72 72.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.081 0.467 . . . . 72.34 111.104 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.35 -32.22 68.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.038 -0.528 . . . . 75.13 110.107 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.96 -33.93 70.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.994 -0.548 . . . . 74.31 109.791 175.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 58' ' ' ALA . 62.9 t -61.35 -45.97 97.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.811 -0.631 . . . . 71.02 109.648 173.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -60.51 -41.77 95.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.896 -0.593 . . . . 64.02 110.892 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -66.74 -34.76 78.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.484 -0.326 . . . . 64.14 111.588 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.68 -33.16 74.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.363 . . . . 73.12 110.91 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.434 ' HB2' ' CD1' ' A' ' 109' ' ' ILE . 7.2 t -66.95 -32.73 74.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.032 -0.531 . . . . 60.04 110.069 178.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -70.29 -32.42 70.21 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.017 -0.538 . . . . 73.51 111.086 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.3 mp -82.9 -25.22 32.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.027 -0.533 . . . . 73.12 110.306 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.04 34.69 8.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.788 -0.72 . . . . 74.41 112.246 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.0 m -120.96 161.75 20.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.745 0.307 . . . . 75.21 110.665 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -116.42 161.75 18.6 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.067 -0.515 . . . . 52.32 111.108 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.919 HG22 ' HB2' ' A' ' 7' ' ' TYR . 25.9 pt -131.48 176.18 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.239 -0.892 . . . . 71.32 109.78 175.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 9' ' ' VAL . 59.4 mtt-85 -100.79 137.85 38.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.307 -0.627 . . . . 73.01 109.307 172.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.461 HG23 ' HD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.572 0 N-CA-C 109.654 -0.498 . . . . 61.41 109.654 179.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.507 ' O ' ' HD2' ' A' ' 107' ' ' ARG . 7.3 ppt_? . . . . . 0 N--CA 1.454 -0.242 0 CA-C-O 121.376 0.607 . . . . 74.04 111.419 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -147.63 23.11 1.5 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 110.642 -0.983 . . . . 73.02 110.642 173.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.463 HG21 ' O ' ' A' ' 62' ' ' VAL . 4.2 mt -96.2 -25.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.191 -0.504 . . . . 73.42 111.418 -173.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -129.05 145.86 51.16 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 120.221 -0.592 . . . . 71.11 111.233 -176.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.5 m -117.53 131.36 56.72 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.544 -0.91 . . . . 75.33 108.544 171.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.461 ' HD1' HG23 ' A' ' 74' ' ' ILE . 89.9 t80 -109.1 135.3 50.46 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.633 -0.427 . . . . 73.34 110.755 -178.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -147.87 122.3 9.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.898 -0.779 . . . . 72.14 108.898 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -78.52 78.89 4.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.431 0.634 . . . . 64.03 109.594 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.4 p -106.49 122.13 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-N 115.66 -0.7 . . . . 75.13 110.805 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.46 ' C ' ' HD3' ' A' ' 116' ' ' LYS . 5.4 tmtm? -78.13 120.16 22.54 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.08 -0.711 . . . . 64.41 109.08 177.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . . . -69.95 100.9 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.087 0.47 . . . . 61.14 110.399 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -116.13 13.21 15.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.679 -0.691 . . . . 70.01 109.409 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.6 m -72.73 -29.53 63.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.549 -0.75 . . . . 73.21 111.285 -176.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 65.39 44.6 93.05 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.658 -0.782 . . . . 72.14 111.357 -175.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -96.62 177.24 5.73 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.74 -0.467 . . . . 63.43 109.74 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -46.18 -59.5 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.492 0.717 . . . . 70.22 112.187 -178.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -62.35 -26.57 68.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.0 -0.545 . . . . 74.03 111.754 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.426 ' C ' HD22 ' A' ' 124' ' ' ASN . 0.2 OUTLIER -70.88 -50.15 38.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.12 -0.491 . . . . 72.21 109.813 -177.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -75.66 -26.46 57.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.11 -0.496 . . . . 72.41 110.983 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -62.69 -48.46 79.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.632 -0.258 . . . . 72.03 111.086 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.1 p -65.34 -31.48 54.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-O 120.936 0.398 . . . . 64.01 110.603 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -61.26 -50.61 72.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.931 -0.577 . . . . 72.25 109.643 176.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 61.5 ttp -68.39 -33.1 73.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.516 -0.765 . . . . 71.23 110.572 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -61.06 -48.57 81.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.81 -0.632 . . . . 61.21 110.144 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -70.25 -32.45 70.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.105 -0.498 . . . . 65.23 110.727 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.691 ' HD2' HD12 ' A' ' 137' ' ' ILE . 21.1 tptm -56.09 -45.71 79.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.767 -0.651 . . . . 63.32 110.216 178.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 34.6 t -75.13 -35.64 61.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.656 -0.702 . . . . 62.14 110.835 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.11 -27.26 67.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 41.2 111.754 -176.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 97.2 mt -84.64 -11.72 55.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.19 0.519 . . . . 65.24 110.102 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.58 23.09 51.86 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.614 -0.803 . . . . 53.05 112.875 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.691 HD12 ' HD2' ' A' ' 132' ' ' LYS . 63.1 mt . . . . . 0 C--N 1.325 -0.474 0 N-CA-C 109.788 -0.449 . . . . 72.42 109.788 178.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . 0.484 ' HB3' ' HE1' ' A' ' 7' ' ' TYR . 1.2 m-20 . . . . . 0 N--CA 1.449 -0.482 0 N-CA-C 107.659 -1.237 . . . . 51.54 107.659 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.9 mtt-85 -93.89 -1.7 54.4 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.902 0.705 . . . . 72.21 112.902 -168.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.0 p -104.38 162.97 12.77 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.631 -0.428 . . . . 74.11 110.862 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.41 140.52 45.37 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.889 -0.411 . . . . 74.44 109.889 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.639 ' CD1' ' HB2' ' A' ' 28' ' ' LYS . 23.1 m-85 -88.3 128.25 35.48 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.482 0.658 . . . . 51.43 111.08 -172.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.829 ' HB2' ' HE2' ' A' ' 10' ' ' TYR . 16.4 p-10 -112.87 94.62 4.99 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.923 -1.035 . . . . 74.44 111.216 -176.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 21.5 t -103.57 111.14 32.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.455 -0.572 . . . . 70.13 109.455 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.829 ' HE2' ' HB2' ' A' ' 8' ' ' ASP . 7.4 p90 -154.35 142.21 20.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.959 0.409 . . . . 72.45 111.475 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.723 HG21 ' HA ' ' A' ' 24' ' ' TYR . 15.4 p -142.32 172.21 13.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.469 -0.787 . . . . 71.14 109.535 175.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -90.69 147.39 23.3 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.968 -0.382 . . . . 74.35 109.968 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -141.08 35.03 1.88 Allowed Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.973 -0.632 . . . . 54.24 111.744 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 t -103.02 122.5 44.76 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.944 -0.391 . . . . 62.23 109.944 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.555 ' HB3' ' HB3' ' A' ' 20' ' ' TYR . 6.3 p90 -68.21 106.06 2.31 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.431 0.634 . . . . 73.41 109.724 176.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.615 HG13 ' HE3' ' A' ' 132' ' ' LYS . 7.6 p -100.16 129.01 51.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.572 -0.74 . . . . 74.53 110.959 -173.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.415 ' OD1' HG22 ' A' ' 16' ' ' VAL . 22.3 m120 63.37 26.99 15.19 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.126 -0.943 . . . . 73.14 110.626 -176.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.29 -22.03 11.3 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.758 -0.655 . . . . 54.45 112.815 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.608 ' HG2' ' HG ' ' A' ' 135' ' ' LEU . 2.0 mp0 -81.63 140.24 34.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.999 0.428 . . . . 71.41 110.85 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.555 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 42.4 p90 -139.69 153.36 47.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.021 -0.536 . . . . 65.02 109.989 177.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.689 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -155.49 169.98 23.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.107 -0.497 . . . . 55.33 109.865 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.3 p-90 -97.22 129.18 44.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.908 -0.775 . . . . 74.01 108.908 174.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.05 136.95 6.03 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.161 -0.472 . . . . 70.2 110.335 -174.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.723 ' HA ' HG21 ' A' ' 11' ' ' THR . 47.7 p90 -166.86 155.75 10.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.276 0.56 . . . . 60.13 110.915 178.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.455 ' H ' HG21 ' A' ' 11' ' ' THR . . . -142.64 126.6 17.27 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.379 -0.828 . . . . 63.32 109.14 177.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -84.3 96.45 9.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.55 0.69 . . . . 75.01 109.858 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 8' ' ' ASP . 1.9 p -96.29 145.75 8.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 114.528 -1.214 . . . . 74.25 109.446 176.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.639 ' HB2' ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -163.74 137.45 5.62 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.355 -0.609 . . . . 52.0 109.355 176.658 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.427 ' HB2' ' HB3' ' A' ' 3' ' ' ASP . 9.1 t70 66.2 11.81 8.12 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.657 0.742 . . . . 74.12 109.945 178.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.75 -4.22 63.37 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.584 -0.734 . . . . 65.11 112.5 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 27' ' ' VAL . 12.2 mptt -106.67 150.98 25.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.016 0.436 . . . . 72.13 111.172 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.6 t -102.46 111.98 34.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.694 -0.685 . . . . 71.1 109.252 174.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -94.59 -15.76 23.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.527 -0.306 . . . . 64.25 111.25 -173.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.523 ' CE2' ' HG3' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -160.2 144.04 14.11 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.917 -0.771 . . . . 71.24 108.917 176.82 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -155.34 127.09 7.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.887 0.375 . . . . 60.24 111.612 -172.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -154.66 135.48 13.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.01 -0.541 . . . . 71.11 109.57 174.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -155.53 121.16 4.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.457 -0.338 . . . . 63.45 110.297 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -166.68 164.51 16.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 64.32 110.748 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.689 HG12 ' HB2' ' A' ' 21' ' ' ALA . 30.9 m -89.23 146.15 6.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.036 0.446 . . . . 63.34 111.321 -178.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.98 111.79 0.32 Allowed Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.834 -0.698 . . . . 64.42 112.983 176.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -92.18 174.38 7.34 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 107.951 -1.129 . . . . 52.24 107.951 171.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -143.54 144.61 28.28 Favored Pre-proline 0 C--N 1.31 -1.127 0 CA-C-N 116.647 -0.252 . . . . 71.21 110.536 -176.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -66.02 -16.15 51.35 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.91 2.407 . . . . 61.55 111.438 174.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.35 -7.46 37.54 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.51 -0.768 . . . . 73.44 111.083 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.91 -37.26 78.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 73.42 110.532 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.47 -27.02 51.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.887 -0.597 . . . . 72.01 110.704 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.3 m -65.33 -46.29 80.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 75.33 110.688 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 49.6 ttm -96.64 -82.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 63.32 110.34 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.765 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . 11.6 ptt180 -167.66 -51.16 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.678 -0.237 . . . . 62.42 110.703 178.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.529 ' N ' ' HG3' ' A' ' 49' ' ' ARG . 0.6 OUTLIER 50.78 -87.42 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.97 0.908 . . . . 71.21 112.212 -176.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.626 ' O ' HG12 ' A' ' 55' ' ' ILE . 29.7 t -65.88 -38.32 81.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.559 -0.292 . . . . 74.42 110.598 -176.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.765 ' HB3' ' HB2' ' A' ' 49' ' ' ARG . . . -55.7 -35.0 65.59 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.098 -0.501 . . . . 73.51 112.215 -176.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.48 -48.11 19.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 45.13 111.927 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.523 ' HG3' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -67.62 -26.56 66.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.689 0.28 . . . . 64.01 111.127 -178.38 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.626 HG12 ' O ' ' A' ' 51' ' ' VAL . 17.0 mm -55.3 -30.11 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 116.019 -0.537 . . . . 54.55 111.742 176.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.08 -45.56 43.3 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.071 0.397 . . . . 51.21 112.071 -177.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.54 -33.69 74.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.864 0.364 . . . . 64.24 111.559 -177.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.608 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -77.38 -40.09 45.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.154 -0.475 . . . . 41.44 110.571 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.499 HD21 ' HE3' ' A' ' 63' ' ' LYS . 10.2 tt -59.81 -50.99 71.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 73.3 111.061 -176.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -68.76 -28.35 66.72 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.96 -0.296 . . . . 72.23 110.536 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.72 -37.11 85.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.627 -0.26 . . . . 45.33 110.509 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 58' ' ' ALA . 39.8 t -60.93 -45.04 99.08 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 CA-C-O 121.47 0.652 . . . . 75.24 109.516 174.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.499 ' HE3' HD21 ' A' ' 59' ' ' LEU . 77.6 mttt -66.95 -43.93 81.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.088 -0.96 . . . . 75.2 111.341 -178.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -62.17 -41.04 97.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 74.42 111.064 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.586 ' HB2' ' HD2' ' A' ' 7' ' ' TYR . . . -71.25 -32.22 68.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.624 0.249 . . . . 74.52 110.701 178.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.2 t -62.56 -41.05 98.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 42.45 110.066 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.85 -31.06 59.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.022 -0.536 . . . . 63.43 110.823 177.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.6 tp -74.36 -25.53 59.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 43.53 110.34 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.67 38.81 11.36 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.973 -0.558 . . . . 73.24 112.824 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.4 m -134.72 176.43 8.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.821 0.343 . . . . 74.23 111.089 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -117.19 164.47 14.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.943 -0.571 . . . . 61.33 110.257 176.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.571 HG12 ' CD1' ' A' ' 110' ' ' TYR . 1.5 pp -122.95 158.71 27.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.416 -0.587 . . . . 52.23 109.416 173.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -125.98 111.16 14.42 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.936 -0.394 . . . . 73.43 109.936 176.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.546 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.536 0.412 0 CA-C-O 121.924 0.869 . . . . 74.34 108.997 175.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 22.2 mmm180 . . . . . 0 N--CA 1.45 -0.459 0 CA-C-O 121.115 0.483 . . . . 52.4 110.239 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -144.39 -43.48 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.463 -0.789 . . . . 54.22 111.174 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 109' ' ' ILE . 4.6 mp -64.84 -39.61 86.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.482 0.658 . . . . 73.52 109.313 173.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.573 ' CD1' HG22 ' A' ' 62' ' ' VAL . 2.5 m-85 -111.09 143.92 41.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.531 -0.759 . . . . 74.54 109.456 174.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.514 ' O ' HG22 ' A' ' 74' ' ' ILE . 77.4 p -156.23 162.78 40.12 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.444 -0.576 . . . . 54.32 109.444 176.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -116.63 134.6 54.63 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.838 0.351 . . . . 75.12 110.23 179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -131.74 136.89 47.95 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.94 -0.573 . . . . 62.04 110.66 -175.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 56.2 tptt -106.36 89.59 3.09 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.209 0.528 . . . . 74.35 109.715 173.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.7 p -135.3 137.12 50.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.66 -0.7 . . . . 74.24 109.488 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -122.95 92.67 3.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.079 0.466 . . . . 70.31 109.836 -179.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -131.47 -80.07 0.52 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.875 -0.602 . . . . 44.15 109.437 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -101.67 32.54 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.822 -0.807 . . . . 72.41 108.822 172.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.8 m -84.02 29.36 0.56 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.879 -1.055 . . . . 72.44 111.773 -172.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -132.55 70.32 0.52 Allowed Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.089 -0.804 . . . . 73.44 111.089 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -89.81 -176.42 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.793 0.33 . . . . 71.3 110.828 -178.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.32 -34.44 75.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 64.11 111.135 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -74.23 -26.62 60.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.072 -0.513 . . . . 71.44 111.286 -177.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -69.07 -44.42 72.6 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.416 -0.587 . . . . 73.11 109.416 174.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.14 -34.59 76.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.208 -0.906 . . . . 71.55 110.838 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.489 ' HA ' ' HE2' ' A' ' 129' ' ' MET . 65.3 t80 -58.78 -41.25 86.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.765 -0.652 . . . . 71.11 110.953 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 54.0 t -69.97 -38.74 76.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 74.31 111.063 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -58.2 -49.14 78.11 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.927 0.394 . . . . 73.23 111.13 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . 0.489 ' HE2' ' HA ' ' A' ' 126' ' ' TYR . 54.4 mtm -58.88 -45.69 89.6 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.917 -0.583 . . . . 62.21 111.15 -178.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -66.42 -40.15 89.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.898 -0.592 . . . . 73.23 110.146 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.63 -51.35 70.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 53.14 111.07 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.615 ' HE3' HG13 ' A' ' 16' ' ' VAL . 32.4 mmtp -63.06 -38.77 92.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 70.41 111.174 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.6 m -65.48 -30.67 71.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.145 -0.48 . . . . 60.24 110.747 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.488 ' HB3' HG13 ' A' ' 39' ' ' VAL . . . -74.36 -21.26 59.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 74.4 111.429 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.608 ' HG ' ' HG2' ' A' ' 19' ' ' GLN . 1.3 mm? -85.37 -8.29 58.52 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.554 -0.536 . . . . 73.31 109.554 174.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.85 16.25 63.78 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.724 -0.75 . . . . 52.1 111.81 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 71.9 mt . . . . . 0 C--N 1.323 -0.544 0 CA-C-O 120.777 0.322 . . . . 64.43 110.419 -179.462 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 . . . . . 0 N--CA 1.45 -0.446 0 CA-C-O 121.675 0.75 . . . . 74.14 109.638 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -113.8 3.14 15.38 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.342 -0.844 . . . . 74.23 111.109 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.3 t -86.96 164.09 16.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.166 -0.47 . . . . 72.21 110.955 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.529 ' HA ' HG22 ' A' ' 72' ' ' ILE . 1.4 mp0 -59.36 120.71 9.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.74 -0.664 . . . . 60.1 110.182 178.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.406 ' HD1' ' HB3' ' A' ' 28' ' ' LYS . 95.4 m-85 -72.28 142.36 48.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.248 -0.433 . . . . 55.01 110.446 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -92.91 95.24 9.38 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.972 -0.751 . . . . 74.33 108.972 174.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.3 t -94.48 127.0 46.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.602 -0.727 . . . . 63.01 110.4 -174.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.58 ' O ' HG22 ' A' ' 11' ' ' THR . 66.0 m-85 -88.49 175.85 7.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.335 -0.393 . . . . 73.35 111.095 -178.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.904 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 2.7 t 58.39 4.44 0.34 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.309 1.444 . . . . 71.54 113.592 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.9 p-10 -74.7 80.74 2.05 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.677 0.751 . . . . 74.34 111.412 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.2 -102.26 0.65 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.635 -0.793 . . . . 63.21 112.708 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . 0.418 ' HA ' ' CG ' ' A' ' 114' ' ' LYS . 11.8 p -165.05 -76.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.849 0.356 . . . . 75.11 110.605 -177.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -145.73 167.87 22.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.049 -0.523 . . . . 71.35 109.895 177.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.511 HG22 ' ND2' ' A' ' 17' ' ' ASN . 12.1 p -146.82 137.46 17.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.667 0.27 . . . . 61.4 110.502 178.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.511 ' ND2' HG22 ' A' ' 16' ' ' VAL . 52.1 m-80 60.74 26.68 16.46 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.033 -0.53 . . . . 74.23 110.802 -177.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.36 -3.93 65.33 Favored Glycine 0 CA--C 1.521 0.469 0 CA-C-N 116.083 -0.508 . . . . 63.3 112.445 -177.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.589 ' HB3' HD22 ' A' ' 135' ' ' LEU . 16.5 mm-40 -101.75 137.13 40.47 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.169 -0.308 . . . . 72.12 110.169 -178.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -120.03 146.6 45.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.976 0.417 . . . . 74.22 110.626 178.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.568 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -155.05 167.17 31.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.682 -0.69 . . . . 64.21 109.529 -178.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.446 ' CE2' ' HB3' ' A' ' 38' ' ' ASP . 35.2 p-90 -105.4 130.08 53.57 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.565 -0.531 . . . . 73.43 109.565 178.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.15 167.43 18.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.072 -0.513 . . . . 73.03 110.214 -176.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.498 ' HA ' ' CG2' ' A' ' 11' ' ' THR . 49.4 p90 -167.16 157.5 11.32 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 123.396 0.435 . . . . 70.43 110.93 177.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.57 102.23 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.427 -0.806 . . . . 45.2 109.906 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -90.42 109.96 21.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.197 0.522 . . . . 74.22 110.309 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 1.5 p -129.78 133.96 63.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.373 -0.83 . . . . 71.24 111.744 -174.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HB3' ' HD1' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -145.61 139.94 27.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.483 -0.781 . . . . 75.04 109.097 173.086 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.5 t70 64.83 15.17 9.7 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.544 0.688 . . . . 74.43 110.494 -178.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.93 -1.55 83.37 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.814 -0.708 . . . . 73.1 112.322 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 27' ' ' VAL . 13.4 mptt -96.72 135.55 38.51 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 121.393 0.616 . . . . 72.24 110.222 178.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.24 124.04 65.6 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 CA-C-N 114.964 -1.016 . . . . 61.24 110.094 -178.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.46 ' CD2' ' HD1' ' A' ' 34' ' ' TYR . 85.1 t60 -72.93 -49.34 30.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.931 -0.577 . . . . 71.3 110.495 -177.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.46 ' HD1' ' CD2' ' A' ' 33' ' ' HIS . 8.0 m-85 -143.41 140.45 30.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.955 0.407 . . . . 75.44 110.555 176.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 126' ' ' TYR . 0.0 OUTLIER -130.6 119.06 21.92 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.385 -0.825 . . . . 75.42 109.227 173.73 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -167.51 163.39 14.77 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.24 -0.652 . . . . 62.04 109.24 -177.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 130' ' ' LYS . . . -159.3 121.61 3.48 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.846 -0.427 . . . . 51.41 109.846 -178.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.504 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 31.3 t70 -132.6 153.01 51.45 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.867 -0.333 . . . . 71.11 110.287 -177.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.578 HG12 HD23 ' A' ' 135' ' ' LEU . 27.1 m -84.23 174.97 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.05 0.452 . . . . 71.24 111.856 -174.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.56 87.16 0.52 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.362 -0.695 . . . . 62.12 111.362 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -92.94 -168.05 1.86 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.062 0.458 . . . . 61.42 110.864 -177.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -57.44 150.54 43.72 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.012 -0.994 . . . . 65.41 111.175 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.68 -14.7 18.12 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.363 2.709 . . . . 70.41 112.906 -178.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.47 -45.72 80.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.398 -0.364 . . . . 70.12 110.812 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.25 -30.09 61.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.032 0.444 . . . . 71.11 110.662 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.13 -22.63 61.29 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.875 -0.602 . . . . 22.23 110.825 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.7 m -96.84 -49.3 5.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.619 -0.719 . . . . 41.33 110.418 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 66.1 mtm -88.98 67.79 8.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.565 0.698 . . . . 73.32 109.598 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.771 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 84.5 mtt180 -75.7 89.2 2.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.406 -0.815 . . . . 72.12 110.754 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -71.3 -65.31 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.69 0.281 . . . . 73.24 110.436 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.41 -48.6 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 70.04 110.674 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.771 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -68.78 -13.91 62.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.649 -0.705 . . . . 64.31 111.551 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.41 -38.13 93.01 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 116.137 -0.483 . . . . 74.35 113.247 -177.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.42 -30.58 71.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.128 0.464 . . . . 72.2 110.101 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.4 mm -70.17 -36.65 68.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 64.31 109.804 177.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.05 -29.27 65.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.649 -0.705 . . . . 62.15 110.681 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.48 -37.78 42.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.126 -0.488 . . . . 74.45 110.218 176.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -67.0 -21.12 65.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.71 -0.677 . . . . 71.14 111.269 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.4 tp -50.68 -34.22 25.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.081 -0.509 . . . . 64.54 111.609 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -60.85 -48.88 79.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.486 -0.325 . . . . 60.35 110.606 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -30.61 70.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.019 0.438 . . . . 61.23 110.472 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.502 HG11 ' HD1' ' A' ' 110' ' ' TYR . 82.0 t -65.02 -45.92 93.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.846 -0.616 . . . . 75.11 110.442 176.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -68.21 -32.82 73.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.547 0.689 . . . . 74.2 109.723 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -61.57 -33.03 73.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.001 -1.0 . . . . 65.12 110.788 174.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.418 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -64.72 -29.88 70.88 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.327 -0.397 . . . . 61.54 111.391 -178.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.7 m -60.01 -37.35 79.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.112 0.482 . . . . 71.41 110.049 175.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -82.98 -33.17 26.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.657 -0.702 . . . . 74.4 110.944 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.1 tp -68.42 -26.6 65.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 74.43 110.848 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.0 26.78 9.99 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.678 -0.773 . . . . 44.15 113.05 176.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.418 HG23 ' HB1' ' A' ' 65' ' ' ALA . 19.3 m -131.01 135.07 60.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.009 0.433 . . . . 64.35 110.766 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.88 ' HA ' HG23 ' A' ' 109' ' ' ILE . 14.4 ttpt -132.83 144.33 50.14 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.95 -0.568 . . . . 74.41 109.609 178.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.617 HG13 ' O ' ' A' ' 109' ' ' ILE . 2.1 pp -106.48 154.07 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 108.404 -0.961 . . . . 73.2 108.404 174.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -83.52 101.87 11.73 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.032 0.444 . . . . 74.12 111.06 -171.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.681 HD12 ' HE1' ' A' ' 112' ' ' PHE . 25.3 pt . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 115.682 -0.69 . . . . 62.13 109.645 178.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.519 -0.227 0 N-CA-C 110.621 -0.14 . . . . 74.23 110.621 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 46.8 77.52 0.1 Allowed Glycine 0 C--N 1.334 0.453 0 O-C-N 123.723 0.639 . . . . 54.0 113.387 174.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.88 HG23 ' HA ' ' A' ' 71' ' ' LYS . 32.7 mm -60.41 -25.42 34.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 111.803 0.297 . . . . 75.55 111.803 -177.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.502 ' HD1' HG11 ' A' ' 62' ' ' VAL . 1.7 p90 -92.53 159.26 15.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.88 0.371 . . . . 75.45 110.902 -175.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.603 ' HA ' HG22 ' A' ' 74' ' ' ILE . 8.5 t -74.41 174.97 8.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.978 -0.555 . . . . 74.21 110.416 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.681 ' HE1' HD12 ' A' ' 74' ' ' ILE . 97.0 m-85 -98.53 168.47 10.16 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.319 -0.252 . . . . 64.32 110.319 -175.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . 0.549 ' O ' ' HD2' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -94.68 107.65 19.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.088 0.946 . . . . 72.32 109.764 179.169 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.549 ' HD2' ' O ' ' A' ' 113' ' ' GLU . 13.8 mptt -151.1 152.82 33.95 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.571 -1.195 . . . . 74.44 109.869 -165.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.0 p -99.17 148.71 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.727 0.298 . . . . 63.53 110.603 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.904 ' HG2' ' HA ' ' A' ' 11' ' ' THR . 14.2 ptpt -158.39 172.52 18.19 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 110.265 -0.272 . . . . 65.3 110.265 176.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.489 ' O ' HG21 ' A' ' 16' ' ' VAL . . . 75.67 156.99 0.18 Allowed 'General case' 0 N--CA 1.466 0.346 0 O-C-N 124.427 1.08 . . . . 61.23 112.643 170.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -126.44 1.05 6.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.202 -0.908 . . . . 54.11 110.121 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.9 t -149.9 -34.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.97 -0.559 . . . . 73.34 109.811 175.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.81 163.67 2.39 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-O 121.468 0.482 . . . . 50.23 113.619 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -76.5 176.15 8.56 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.98 -1.118 . . . . 64.51 107.98 169.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 125' ' ' ASP . 35.3 tt0 -51.01 -54.15 27.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.612 0.597 . . . . 74.11 112.612 -174.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -76.47 -26.58 55.51 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.613 -0.267 . . . . 73.14 111.596 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -72.1 -27.91 62.95 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.694 -0.484 . . . . 71.3 109.694 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.594 ' HA ' ' HB3' ' A' ' 128' ' ' ASP . 12.9 t70 -53.18 -29.12 29.99 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.351 -0.84 . . . . 72.23 111.366 176.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.409 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -58.4 -52.29 66.23 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.368 -0.378 . . . . 73.15 111.043 175.618 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 92.6 t -76.86 -36.71 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 62.04 110.379 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.594 ' HB3' ' HA ' ' A' ' 125' ' ' ASP . 4.2 t70 -56.16 -55.24 35.55 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.049 -0.523 . . . . 61.24 111.12 176.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 43.8 ttp -60.94 -39.01 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 75.03 110.904 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 11.0 mptt -69.73 -42.87 73.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.357 -0.383 . . . . 72.15 110.952 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.68 96.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.336 -0.393 . . . . 73.51 110.536 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -56.95 -42.77 80.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.162 -0.472 . . . . 75.52 111.077 176.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.7 m -65.76 -42.08 91.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.312 -0.404 . . . . 75.3 110.859 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . 0.439 ' HB1' HG13 ' A' ' 39' ' ' VAL . . . -73.49 -39.34 64.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.355 -0.384 . . . . 53.21 111.611 -178.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.589 HD22 ' HB3' ' A' ' 19' ' ' GLN . 98.5 mt -80.97 -17.67 49.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.357 -0.383 . . . . 70.42 110.654 -176.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.18 24.88 35.6 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.099 -1.048 . . . . 61.0 112.458 177.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.1 mm . . . . . 0 C--N 1.327 -0.379 0 CA-C-O 121.334 0.588 . . . . 62.05 110.913 -177.823 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 p30 . . . . . 0 N--CA 1.456 -0.146 0 CA-C-O 120.979 0.418 . . . . 65.53 111.52 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -82.67 50.4 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.14 -0.482 . . . . 74.11 110.476 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 t -139.79 95.29 2.88 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.876 -0.33 . . . . 62.04 111.79 -178.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 43.29 91.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.19 -0.913 . . . . 74.02 112.925 173.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.471 ' O ' ' HB ' ' A' ' 72' ' ' ILE . 74.0 m-85 -72.64 155.55 39.89 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.466 -0.788 . . . . 65.22 110.899 -175.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -109.68 124.99 52.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.15 0.5 . . . . 72.31 110.01 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.0 t -129.27 122.85 56.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.881 -0.6 . . . . 75.21 109.738 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.495 ' HB3' ' OD1' ' A' ' 124' ' ' ASN . 58.7 m-85 -101.97 137.89 39.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.122 -0.49 . . . . 74.15 110.287 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -168.27 148.32 4.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.018 -0.537 . . . . 73.4 110.282 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -132.93 144.06 49.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.349 -0.387 . . . . 71.45 110.216 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.73 73.21 2.7 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 120.664 -0.779 . . . . 65.42 111.315 177.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.0 m -78.07 103.09 7.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.966 0.412 . . . . 60.14 110.799 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -144.95 144.7 31.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.855 -0.612 . . . . 70.32 109.667 175.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.0 p -169.38 139.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.315 -0.402 . . . . 61.13 110.621 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 63.35 28.33 15.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.903 -0.589 . . . . 71.45 111.333 171.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.21 -14.96 62.25 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.64 -0.79 . . . . 70.43 112.163 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HB3' HD22 ' A' ' 135' ' ' LEU . 7.9 mm-40 -89.08 140.29 29.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.825 0.345 . . . . 72.53 110.66 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . 0.657 ' HE1' ' H ' ' A' ' 41' ' ' LYS . 25.0 p90 -147.6 140.32 24.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.891 -0.595 . . . . 74.33 110.745 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.48 154.43 46.1 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.989 -0.551 . . . . 64.21 110.051 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.533 ' HB3' ' HE2' ' A' ' 41' ' ' LYS . 32.7 p-90 -114.51 130.41 56.74 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.997 0.427 . . . . 74.05 110.086 177.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.778 ' HB1' HG22 ' A' ' 127' ' ' VAL . . . -145.64 136.15 24.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.736 -0.665 . . . . 61.5 110.147 -177.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -142.57 138.48 30.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.385 -0.37 . . . . 73.41 110.47 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . . . -119.68 104.91 10.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.883 -0.599 . . . . 73.54 110.038 175.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.493 ' HD2' ' HB2' ' A' ' 34' ' ' TYR . 97.3 m-85 -90.79 98.91 12.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.968 -0.56 . . . . 61.14 110.163 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.51 ' HA ' ' HA ' ' A' ' 32' ' ' VAL . 3.0 p -106.71 124.59 62.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.427 0.632 . . . . 65.31 111.066 -175.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -133.21 131.13 39.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.836 -0.62 . . . . 74.42 109.838 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 68.19 10.31 7.75 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.002 -0.545 . . . . 55.23 110.752 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.36 1.98 60.56 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.819 -0.705 . . . . 74.43 111.638 -176.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -113.77 126.97 55.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.36 . . . . 75.14 110.358 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.51 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 5.9 p -85.63 106.95 15.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.588 0.708 . . . . 71.53 110.238 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -78.21 -43.47 28.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.906 -0.588 . . . . 63.45 110.271 -174.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.493 ' HB2' ' HD2' ' A' ' 26' ' ' PHE . 94.3 m-85 -122.65 139.23 54.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.227 -0.442 . . . . 61.1 110.131 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -161.64 120.42 2.4 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.556 0.535 . . . . 72.32 109.732 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -165.84 157.15 13.82 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.995 -0.372 . . . . 75.33 109.995 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.542 ' HB3' ' HB3' ' A' ' 130' ' ' LYS . . . -143.47 108.47 4.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.478 -0.328 . . . . 70.25 110.558 179.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -116.04 148.07 40.58 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.547 -0.538 . . . . 71.41 109.547 -177.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.9 m -93.41 136.08 26.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.131 0.491 . . . . 71.23 111.207 -177.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.4 108.34 1.04 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.569 -0.824 . . . . 53.4 112.189 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.657 ' H ' ' HE1' ' A' ' 20' ' ' TYR . 86.7 mttt -92.14 96.47 10.34 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.794 -0.447 . . . . 70.31 109.794 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -134.38 144.75 52.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.2 -0.454 . . . . 74.41 111.029 -175.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.57 -11.48 31.92 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.917 2.412 . . . . 64.31 112.456 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.2 -22.6 63.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.055 -0.52 . . . . 72.12 111.209 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.16 -28.3 69.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.262 -0.426 . . . . 71.43 110.932 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.825 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . . . -78.22 -30.04 48.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.308 -0.406 . . . . 74.41 110.631 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.1 m -79.99 -43.81 21.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.054 -0.521 . . . . 72.11 110.642 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.0 ttm -80.2 -67.54 0.76 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.524 . . . . 72.21 111.473 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -89.05 -14.86 35.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.595 -0.275 . . . . 61.11 111.286 -171.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.481 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 9.1 t-20 69.96 -1.46 2.36 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.241 0.617 . . . . 74.03 111.603 175.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 55' ' ' ILE . 58.8 t -56.83 -43.02 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.184 -0.462 . . . . 54.32 111.853 -175.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.825 ' HB3' ' HB2' ' A' ' 46' ' ' ALA . . . -62.99 -21.93 66.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.631 0.253 . . . . 52.44 111.652 -176.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.34 -50.98 9.01 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.909 -0.662 . . . . 45.41 112.192 177.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.4 -33.99 69.97 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.972 0.36 . . . . 73.14 111.972 -175.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' ' 51' ' ' VAL . 40.5 pt -71.12 -29.42 36.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.737 0.303 . . . . 54.23 111.547 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.61 -24.4 8.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.775 -0.648 . . . . 54.32 112.324 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.02 -31.98 67.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.004 0.431 . . . . 73.41 111.197 177.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.56 -23.82 61.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 74.11 111.285 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 tt -63.0 -40.99 99.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.968 0.413 . . . . 72.51 110.023 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.4 -25.86 59.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.249 -0.432 . . . . 73.41 111.402 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.95 94.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.108 0.48 . . . . 51.05 109.721 173.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.1 t -69.75 -34.75 62.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.67 -0.695 . . . . 73.11 110.255 175.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -59.54 -44.53 93.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.814 -0.63 . . . . 71.43 110.168 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -70.69 -28.24 64.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 63.13 110.989 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.415 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -56.36 -35.32 67.53 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.298 0.481 . . . . 64.12 112.298 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.849 ' HB3' HD11 ' A' ' 109' ' ' ILE . 61.7 p -60.22 -38.2 82.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.16 0.505 . . . . 65.12 111.025 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -66.49 -35.67 80.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.492 -0.777 . . . . 73.33 110.561 -177.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.6 mp -84.16 -25.54 29.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.808 -0.633 . . . . 71.41 110.635 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.32 18.87 47.9 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.879 -0.677 . . . . 74.14 111.916 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.415 HG23 ' HB1' ' A' ' 65' ' ' ALA . 30.1 m -99.61 158.0 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.944 -0.391 . . . . 70.41 109.944 178.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -153.45 -179.7 8.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.565 -0.289 . . . . 74.33 110.279 -173.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.641 HG12 ' O ' ' A' ' 109' ' ' ILE . 32.5 pt -114.48 -176.34 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.879 -0.785 . . . . 62.11 108.879 171.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -132.74 119.53 20.46 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.134 -0.626 . . . . 73.21 111.195 -178.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 112' ' ' PHE . 5.8 tp . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 115.887 -0.597 . . . . 72.03 109.911 175.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 25.0 mmt85 . . . . . 0 C--O 1.235 0.311 0 CA-C-O 121.341 0.591 . . . . 72.42 112.082 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.7 69.75 2.98 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.654 -0.703 . . . . 74.22 111.825 177.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.849 HD11 ' HB3' ' A' ' 66' ' ' SER . 19.8 mt -64.94 -31.78 55.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.04 0.448 . . . . 73.31 110.906 -178.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -103.13 171.23 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.595 -0.73 . . . . 74.31 110.802 -177.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . 0.563 ' N ' HD11 ' A' ' 72' ' ' ILE . 14.2 p -79.55 130.92 35.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.77 -0.65 . . . . 54.53 112.039 -173.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . 0.539 ' O ' HG12 ' A' ' 74' ' ' ILE . 97.7 m-85 -109.03 171.9 7.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.705 -0.68 . . . . 75.12 109.366 173.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.0 118.55 32.84 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.451 0.643 . . . . 74.21 109.596 175.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -151.58 139.22 19.69 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.522 -0.763 . . . . 73.1 109.802 -175.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.0 p -74.49 98.21 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.901 0.858 . . . . 52.23 111.175 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -120.95 114.34 21.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.378 -0.828 . . . . 73.45 109.642 176.782 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 68.47 -178.97 0.22 Allowed 'General case' 0 C--O 1.233 0.206 0 O-C-N 124.022 0.826 . . . . 44.11 110.39 -175.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -136.09 5.21 3.03 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.448 -0.501 . . . . 71.13 110.82 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 m -84.94 -35.48 22.05 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.829 0.307 . . . . 72.24 111.829 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 69.08 155.03 0.84 Allowed Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.867 -0.682 . . . . 43.03 112.274 -174.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -113.19 146.9 38.49 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.037 -0.727 . . . . 55.5 109.037 173.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . 0.63 ' HA ' ' HB3' ' A' ' 125' ' ' ASP . 44.1 mt-10 -75.73 -18.07 59.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.908 0.336 . . . . 72.22 111.908 -173.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -67.2 -36.94 82.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.419 -0.586 . . . . 74.04 109.419 170.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.495 ' OD1' ' HB3' ' A' ' 10' ' ' TYR . 7.8 t30 -77.95 -35.55 50.24 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.502 -0.772 . . . . 72.02 109.849 174.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.63 ' HB3' ' HA ' ' A' ' 122' ' ' GLU . 23.1 t70 -52.85 -37.14 59.87 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.571 -0.741 . . . . 74.24 112.507 -175.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -70.68 -45.86 64.25 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.512 -0.475 . . . . 74.41 111.221 -177.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.778 HG22 ' HB1' ' A' ' 23' ' ' ALA . 8.0 p -74.01 -29.02 24.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.132 0.492 . . . . 71.12 110.057 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -64.18 -49.32 72.53 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.778 -0.646 . . . . 64.21 109.418 174.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 44.2 ttm -56.05 -42.38 76.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.931 -1.031 . . . . 73.4 110.349 177.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . 0.542 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 71.3 mmtt -54.74 -53.55 53.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 71.43 111.394 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.03 -45.16 74.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.115 -0.493 . . . . 75.53 111.542 -176.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -71.53 -35.38 70.66 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.51 0.559 . . . . 74.2 112.51 -173.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 68.9 p -73.09 -29.96 63.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.933 0.397 . . . . 70.34 110.481 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -74.23 -19.62 60.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.961 177.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 19' ' ' GLN . 84.7 mt -93.76 -17.84 22.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.574 177.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 98.91 25.25 9.83 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.186 -1.007 . . . . 62.02 113.316 176.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 48.7 mm . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 117.21 0.505 . . . . 54.41 111.001 -179.764 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 N--CA 1.451 -0.39 0 CA-C-O 120.966 0.413 . . . . 74.53 110.083 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -106.53 6.8 30.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.707 -0.679 . . . . 73.22 110.047 -178.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.5 t -109.38 128.26 54.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.645 -0.707 . . . . 72.14 110.756 -176.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.458 ' H ' ' HB ' ' A' ' 70' ' ' VAL . 24.9 mm-40 54.91 83.01 0.09 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.946 -0.57 . . . . 63.41 111.508 177.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.766 ' HB2' HG22 ' A' ' 72' ' ' ILE . 65.5 m-85 -79.89 128.85 33.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.034 0.445 . . . . 74.04 111.101 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.401 ' HB2' HG13 ' A' ' 27' ' ' VAL . 64.1 m-20 -88.26 108.77 19.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.146 0.498 . . . . 73.33 110.469 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.539 ' O ' ' HB3' ' A' ' 73' ' ' ARG . 43.8 t -129.42 112.59 25.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.569 -0.741 . . . . 74.4 109.343 178.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -121.12 171.57 8.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.265 0.555 . . . . 71.04 111.675 -176.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.2 t -155.25 141.78 18.76 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.919 -1.037 . . . . 73.21 108.504 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -77.68 154.4 32.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.909 0.385 . . . . 73.15 110.812 -175.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.7 16.19 5.63 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.484 -0.865 . . . . 53.11 112.918 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.9 p -92.75 118.49 31.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.278 0.561 . . . . 51.43 110.385 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -108.53 142.97 38.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.926 -0.579 . . . . 71.23 109.732 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.484 HG22 ' ND2' ' A' ' 17' ' ' ASN . 11.4 p -134.23 139.88 47.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.422 -0.354 . . . . 62.21 110.116 -176.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . 0.484 ' ND2' HG22 ' A' ' 16' ' ' VAL . 48.9 m-80 58.96 26.95 15.64 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.92 0.39 . . . . 65.31 110.912 -177.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.24 13.59 70.52 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.848 -0.691 . . . . 42.35 112.349 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.519 ' HB3' HD22 ' A' ' 135' ' ' LEU . 54.8 mt-30 -105.79 139.35 40.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 75.42 110.562 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -143.22 157.42 44.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.972 -0.558 . . . . 73.44 109.849 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.58 169.36 19.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.103 -0.499 . . . . 64.15 109.784 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 65.1 p-90 -95.75 131.04 42.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.504 -0.554 . . . . 74.43 109.504 177.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . 0.519 ' HB1' HG22 ' A' ' 127' ' ' VAL . . . -137.61 136.79 37.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.021 -0.536 . . . . 64.4 110.627 -176.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -135.25 138.68 43.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.097 0.475 . . . . 71.11 110.935 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.71 115.69 11.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.595 -0.73 . . . . 61.21 110.087 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.564 ' HB2' ' HB2' ' A' ' 34' ' ' TYR . 90.4 m-85 -85.16 109.29 18.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.912 -0.585 . . . . 73.22 110.064 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.401 HG13 ' HB2' ' A' ' 8' ' ' ASP . 2.6 p -108.39 122.91 63.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.567 -0.742 . . . . 63.12 111.597 -175.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -127.59 135.19 49.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.504 -0.771 . . . . 54.23 109.235 177.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 66.89 14.8 9.97 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.504 0.502 . . . . 73.23 110.556 -179.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.85 0.08 86.05 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.692 -0.766 . . . . 55.3 112.15 -176.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.758 ' HE3' ' HA ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -109.76 142.34 41.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 75.35 110.554 179.198 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.4 t -89.27 120.16 37.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.286 -0.415 . . . . 74.45 109.951 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -103.98 -33.97 8.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.85 0.357 . . . . 72.13 111.243 -177.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.564 ' HB2' ' HB2' ' A' ' 26' ' ' PHE . 98.0 m-85 -122.64 140.98 52.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.869 -0.419 . . . . 71.11 109.869 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -149.73 133.78 17.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.199 -0.455 . . . . 72.34 110.552 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -164.19 160.21 21.04 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.009 0.433 . . . . 74.43 110.832 174.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -169.6 140.23 2.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.531 -0.759 . . . . 62.52 109.631 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -159.15 176.38 12.31 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.488 -0.56 . . . . 72.12 109.488 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 t -120.69 154.28 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.683 0.278 . . . . 74.44 110.556 -175.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.92 138.82 10.39 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.959 -0.639 . . . . 60.02 113.063 176.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -133.36 103.14 5.82 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.824 -0.435 . . . . 75.43 109.824 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -119.98 159.58 46.4 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.372 -0.377 . . . . 74.23 110.176 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.91 -34.22 96.67 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.545 2.163 . . . . 75.43 112.001 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.57 -12.54 59.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 62.12 111.076 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.493 ' HB1' ' HE2' ' A' ' 48' ' ' MET . . . -90.11 5.59 46.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 44.1 110.983 -177.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.13 -28.64 69.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.266 0.555 . . . . 51.05 110.29 176.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.6 m -93.64 -45.48 7.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.672 -0.694 . . . . 65.53 109.74 174.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.493 ' HE2' ' HB1' ' A' ' 45' ' ' ALA . 54.1 tpp 71.72 -61.06 0.5 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.017 -0.992 . . . . 72.13 111.84 176.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -178.44 -162.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.168 -0.679 . . . . 74.53 109.168 -173.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -56.5 -22.98 36.35 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.864 0.364 . . . . 75.04 110.862 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.457 ' O ' HG12 ' A' ' 55' ' ' ILE . 31.8 t -51.21 -34.56 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 115.649 -0.705 . . . . 74.13 111.965 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.13 78.52 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.759 0.314 . . . . 72.24 111.199 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.58 -34.68 56.62 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.553 -0.832 . . . . 63.32 111.676 177.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -68.97 -42.97 75.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.645 0.26 . . . . 61.44 110.923 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 51' ' ' VAL . 29.3 pt -69.73 -31.68 49.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 72.44 110.793 178.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.16 -36.42 83.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 73.53 110.645 175.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.416 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . . . -66.22 -36.85 84.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.136 0.493 . . . . 64.13 110.649 176.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.17 -26.86 62.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.785 -0.643 . . . . 73.5 110.435 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.6 tp -64.37 -34.08 77.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.83 -0.623 . . . . 70.04 110.306 178.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 57' ' ' ALA . 22.8 m-85 -62.95 -33.23 74.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 65.31 110.333 177.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.4 -38.77 78.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 63.03 110.319 178.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.34 -38.67 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.354 0.597 . . . . 75.04 110.072 176.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -63.57 -36.34 83.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.429 -0.805 . . . . 74.13 110.114 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -75.16 -39.72 60.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 65.42 111.028 176.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.427 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -54.4 -35.66 63.11 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.817 0.673 . . . . 74.41 112.817 -173.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.884 ' HB2' HD11 ' A' ' 109' ' ' ILE . 12.6 t -61.46 -29.55 70.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.082 0.468 . . . . 64.11 110.885 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -82.42 -23.27 34.95 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.093 -0.503 . . . . 63.21 110.605 -177.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.6 mp -87.13 -25.25 24.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.902 -0.59 . . . . 63.34 110.257 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.34 21.87 39.65 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.909 -0.662 . . . . 60.43 111.91 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.458 ' HB ' ' H ' ' A' ' 6' ' ' GLU . 35.3 m -108.33 153.75 9.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 110.184 -0.302 . . . . 73.42 110.184 -179.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.542 ' HD2' ' N ' ' A' ' 71' ' ' LYS . 8.7 mptt -117.05 176.24 5.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.479 0.657 . . . . 72.44 111.072 -175.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.766 HG22 ' HB2' ' A' ' 7' ' ' TYR . 39.1 pt -124.06 161.13 27.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.348 -0.842 . . . . 53.4 109.007 173.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.539 ' HB3' ' O ' ' A' ' 9' ' ' VAL . 1.1 tmm_? -76.39 102.59 6.01 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.472 -0.936 . . . . 75.43 108.472 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . 0.834 HD13 ' HB2' ' A' ' 110' ' ' TYR . 6.0 tp . . . . . 0 C--N 1.323 -0.558 0 CA-C-O 121.469 0.652 . . . . 72.33 112.271 -172.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 61.2 mmt-85 . . . . . 0 N--CA 1.45 -0.43 0 N-CA-C 109.128 -0.693 . . . . 72.23 109.128 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 162.13 -46.59 0.35 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.882 -0.675 . . . . 70.44 111.502 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.884 HD11 ' HB2' ' A' ' 66' ' ' SER . 2.7 mp -71.34 -33.74 51.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.452 -0.944 . . . . 63.41 108.452 173.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.834 ' HB2' HD13 ' A' ' 74' ' ' ILE . 12.9 p90 -149.46 146.04 27.22 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 114.659 -1.155 . . . . 73.34 109.438 177.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.6 p -161.23 130.0 4.53 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.971 -0.751 . . . . 51.54 108.971 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -112.47 137.64 50.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.465 0.65 . . . . 70.22 111.992 -171.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -129.7 155.59 45.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.813 -1.085 . . . . 72.52 109.063 175.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -70.52 90.51 0.74 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.301 0.572 . . . . 72.22 109.513 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 29.1 m -118.77 161.24 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.612 -0.722 . . . . 71.14 110.469 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.675 ' H ' ' HD2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -75.98 157.36 33.19 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 116.112 -0.495 . . . . 75.53 110.174 178.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.37 108.48 4.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.968 -0.56 . . . . 74.42 110.956 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -130.58 14.28 5.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.283 0.563 . . . . 75.01 110.195 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.2 p -106.13 22.92 14.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.512 -0.767 . . . . 43.43 110.463 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -77.59 57.95 3.79 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.968 -0.56 . . . . 65.42 112.65 -177.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -71.8 167.13 20.6 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 122.743 0.417 . . . . 74.13 110.409 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -61.42 -19.44 61.95 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.868 -0.605 . . . . 65.01 112.053 -176.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -71.15 -28.25 64.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.516 -0.311 . . . . 73.22 111.761 -177.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -66.12 -29.13 69.38 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.635 0.255 . . . . 72.32 111.357 -175.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.78 -26.05 66.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 60.43 110.903 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -72.17 -48.7 41.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.041 -0.527 . . . . 73.23 110.785 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.519 HG22 ' HB1' ' A' ' 23' ' ' ALA . 10.9 p -76.78 -21.44 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 121.163 0.506 . . . . 52.14 110.092 -179.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -54.35 -40.45 68.1 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.439 -0.8 . . . . 52.41 110.902 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 52.6 ttp -56.74 -44.87 82.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.874 -0.603 . . . . 73.14 111.053 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -70.86 -34.99 72.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.213 -0.449 . . . . 72.33 110.405 -176.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.38 -47.36 56.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.078 -0.51 . . . . 74.33 111.378 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . 0.627 ' HD3' HD12 ' A' ' 135' ' ' LEU . 25.8 mmtp -67.6 -29.39 68.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.391 -0.368 . . . . 74.43 111.425 -176.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 52.4 m -64.11 -33.88 76.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.88 0.371 . . . . 64.24 110.691 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.12 -15.36 59.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.127 0.489 . . . . 70.12 111.058 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 0.627 HD12 ' HD3' ' A' ' 132' ' ' LYS . 96.5 mt -89.01 -10.96 45.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.181 0.515 . . . . 73.53 110.129 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 101.08 21.15 12.18 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.497 -0.858 . . . . 75.42 112.427 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' A' ' 135' ' ' LEU . 1.9 mp . . . . . 0 C--N 1.325 -0.495 0 N-CA-C 109.482 -0.562 . . . . 62.44 109.482 176.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 . . . . . 0 N--CA 1.466 0.335 0 CA-C-O 121.002 0.43 . . . . 55.31 111.918 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -115.34 4.63 14.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.447 0.641 . . . . 63.25 109.991 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.9 p -125.38 96.22 4.74 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.717 -0.674 . . . . 73.45 111.322 -177.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.488 ' H ' HG11 ' A' ' 70' ' ' VAL . 39.0 tt0 68.51 124.17 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.908 0.755 . . . . 62.1 112.127 176.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.619 ' HB2' HG22 ' A' ' 72' ' ' ILE . 97.5 m-85 -94.11 129.5 40.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.953 -0.567 . . . . 75.22 109.989 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -94.1 126.43 39.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.123 0.487 . . . . 64.22 110.11 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.568 ' HB ' ' O ' ' A' ' 73' ' ' ARG . 45.5 t -130.38 134.8 61.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.648 -0.706 . . . . 75.1 109.228 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 25' ' ' ALA . 53.9 p90 -122.28 152.94 39.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.018 0.437 . . . . 72.44 110.726 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.0 t -160.41 179.57 8.52 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.432 -0.804 . . . . 51.52 109.126 -176.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 t70 67.8 154.53 0.1 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.907 0.754 . . . . 73.35 110.879 -174.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.55 -74.22 0.07 OUTLIER Glycine 0 N--CA 1.442 -0.958 0 C-N-CA 120.184 -1.007 . . . . 72.21 112.627 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 t -129.49 118.0 21.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.264 0.554 . . . . 62.12 112.366 -172.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -122.61 106.59 11.11 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.321 -1.362 . . . . 71.55 107.321 167.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.8 p -141.56 139.85 31.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.822 0.344 . . . . 74.53 111.265 -173.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.2 m120 61.92 28.46 17.34 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.696 -0.684 . . . . 72.14 111.866 174.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.88 7.92 86.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.616 -0.802 . . . . 34.15 112.562 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 1.056 ' HB3' ' HG ' ' A' ' 135' ' ' LEU . 77.1 mm-40 -93.98 132.78 38.11 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.711 -0.477 . . . . 74.52 109.711 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -147.4 154.47 40.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.888 0.375 . . . . 75.11 110.376 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 38' ' ' ASP . . . -155.4 169.47 24.15 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.794 -0.639 . . . . 51.51 109.742 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TRP . . . . . 0.713 ' CD1' ' HB3' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -94.01 130.34 40.17 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.643 -1.243 . . . . 64.1 107.643 177.542 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.23 133.75 30.11 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 120.203 -0.599 . . . . 42.21 110.588 177.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -150.06 147.86 28.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.005 -0.543 . . . . 74.13 109.744 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ALA . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 10' ' ' TYR . . . -148.45 124.09 10.46 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.135 -0.484 . . . . 72.01 110.118 174.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -90.97 112.62 24.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.614 -0.721 . . . . 60.01 109.421 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.03 124.83 59.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.57 0.7 . . . . 62.35 111.934 -172.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.543 ' HZ2' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -170.19 156.4 5.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.976 -1.011 . . . . 72.13 108.498 177.743 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 77.33 17.56 1.5 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.56 0.744 . . . . 73.24 109.975 -176.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.87 2.91 89.05 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.891 -0.595 . . . . 73.14 112.471 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.67 179.89 7.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.712 0.291 . . . . 33.11 110.655 -177.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.552 HG11 ' HB2' ' A' ' 35' ' ' GLU . 53.3 t -79.34 115.71 22.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.779 -0.452 . . . . 61.11 109.779 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -79.58 -33.71 41.45 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.766 -0.457 . . . . 74.32 109.766 -177.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -156.77 144.47 19.2 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.963 -0.562 . . . . 73.51 110.814 174.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.552 ' HB2' HG11 ' A' ' 32' ' ' VAL . 17.3 tt0 -150.18 132.88 15.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.647 -0.706 . . . . 51.43 110.421 -175.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -165.83 163.91 18.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.803 -0.443 . . . . 71.42 109.803 174.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.75 125.34 6.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.867 -0.151 . . . . 61.15 111.403 -176.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.713 ' HB3' ' CD1' ' A' ' 22' ' ' TRP . 40.7 t0 -90.26 163.93 14.58 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.994 -0.743 . . . . 71.41 108.994 174.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.735 HG23 ' HG3' ' A' ' 41' ' ' LYS . 8.1 m -92.04 152.36 3.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 110.251 -0.277 . . . . 70.32 110.251 177.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.5 75.93 0.82 Allowed Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 121.064 -0.589 . . . . 73.45 113.334 -174.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.735 ' HG3' HG23 ' A' ' 39' ' ' VAL . 13.8 mtpp -124.25 -169.98 2.06 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.303 -0.999 . . . . 72.24 108.303 176.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -76.81 143.72 71.64 Favored Pre-proline 0 C--N 1.317 -0.812 0 C-N-CA 120.887 -0.325 . . . . 71.51 110.16 176.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.5 Cg_endo -61.35 -22.63 75.09 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.182 2.588 . . . . 74.31 113.1 -175.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.4 -18.44 58.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.445 -0.343 . . . . 63.12 111.029 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.09 -69.31 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.087 0.47 . . . . 70.1 111.498 -177.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.66 -44.06 14.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.847 -0.615 . . . . 71.34 111.95 -173.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.63 14.04 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.499 0.666 . . . . 74.23 111.634 -174.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 54.5 ttm -99.17 100.66 11.8 Favored 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 107.265 -1.383 . . . . 62.23 107.265 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.636 ' HG3' ' H ' ' A' ' 50' ' ' ASN . 8.6 tpp180 78.64 -170.07 0.05 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 113.816 -1.538 . . . . 74.02 108.769 -174.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.636 ' H ' ' HG3' ' A' ' 49' ' ' ARG . 76.7 m-20 71.69 -85.3 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 122.818 0.447 . . . . 74.34 110.997 178.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' VAL . . . . . 0.639 HG21 ' HB2' ' A' ' 38' ' ' ASP . 19.7 t -64.22 -35.92 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.03 111.142 -174.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.42 -27.29 64.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.808 -0.633 . . . . 72.11 111.868 -176.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.34 -43.79 36.83 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.673 -0.775 . . . . 62.12 112.27 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.31 -29.4 67.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.832 0.349 . . . . 62.13 111.449 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 51' ' ' VAL . 47.0 mm -71.42 -29.52 35.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.46 -0.337 . . . . 75.23 111.033 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.37 -36.47 63.9 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.608 0.596 . . . . 43.45 112.608 -174.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.11 -36.73 84.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.928 0.394 . . . . 75.51 111.167 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -74.84 -25.78 59.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.107 -0.497 . . . . 73.01 110.461 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.51 HD21 ' HE3' ' A' ' 63' ' ' LYS . 7.3 tt -63.26 -35.43 80.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.984 -0.553 . . . . 74.43 110.373 178.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -67.33 -37.44 83.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.251 -0.432 . . . . 74.21 110.336 176.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.55 97.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.508 . . . . 74.22 110.411 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.497 HG13 ' HB ' ' A' ' 109' ' ' ILE . 98.2 t -62.44 -39.29 83.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 115.901 -0.59 . . . . 70.22 110.422 176.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.51 ' HE3' HD21 ' A' ' 59' ' ' LEU . 88.5 mttt -59.54 -46.45 88.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 74.53 111.112 177.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' O ' HD13 ' A' ' 68' ' ' LEU . 48.2 mtpt -68.55 -28.71 67.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.555 -0.293 . . . . 72.25 111.228 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.42 ' HB3' HG21 ' A' ' 109' ' ' ILE . . . -61.55 -28.72 69.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.454 -0.339 . . . . 75.22 111.14 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.672 ' HA ' HD11 ' A' ' 109' ' ' ILE . 23.0 t -66.15 -39.64 89.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.008 0.432 . . . . 74.34 110.037 178.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -70.51 -41.66 72.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.972 -0.558 . . . . 71.55 109.978 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 64' ' ' LYS . 8.1 mp -68.67 -23.27 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.416 -0.811 . . . . 64.34 110.913 179.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.92 34.75 29.7 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.032 -0.604 . . . . 41.4 112.554 176.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.488 HG11 ' H ' ' A' ' 6' ' ' GLU . 27.7 m -123.62 170.64 13.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.812 0.339 . . . . 60.43 110.862 -178.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -115.58 163.35 15.9 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.565 -0.531 . . . . 75.32 109.565 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.619 HG22 ' HB2' ' A' ' 7' ' ' TYR . 2.6 pp -108.25 158.41 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.752 -0.379 . . . . 65.35 110.347 174.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.568 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 97.3 mtt180 -91.99 108.82 20.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.313 0.577 . . . . 72.13 111.121 -178.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 15.5 tt . . . . . 0 C--N 1.323 -0.551 0 CA-C-N 115.321 -0.854 . . . . 73.22 110.636 -176.617 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.494 ' HA ' ' CE1' ' A' ' 110' ' ' TYR . 4.1 tmt_? . . . . . 0 C--O 1.233 0.192 0 CA-C-O 120.977 0.417 . . . . 64.43 110.352 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 168.41 -52.63 0.22 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.957 -0.639 . . . . 74.42 111.611 -177.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ILE . . . . . 0.672 HD11 ' HA ' ' A' ' 66' ' ' SER . 39.9 mm -81.92 -36.63 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.065 0.46 . . . . 41.12 110.108 176.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' TYR . . . . . 0.494 ' CE1' ' HA ' ' A' ' 107' ' ' ARG . 28.8 p90 -97.84 143.49 28.4 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.041 -0.726 . . . . 71.11 109.041 171.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.5 p -173.68 130.06 0.42 Allowed 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.974 -0.75 . . . . 70.22 108.974 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -101.74 137.55 39.9 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.265 0.555 . . . . 73.45 111.09 -173.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -131.66 149.96 52.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.099 -0.955 . . . . 71.04 108.983 177.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -86.94 79.07 8.87 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 121.628 0.728 . . . . 62.04 109.996 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 35.6 m -126.66 163.05 29.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 114.685 -1.143 . . . . 73.25 109.158 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LYS . . . . . 0.686 ' O ' ' HD3' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -70.44 130.04 40.87 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.459 -0.571 . . . . 71.54 109.459 175.724 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 177.71 75.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 71.2 111.422 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -144.99 21.9 1.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.358 0.599 . . . . 72.32 109.953 171.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.1 m -104.82 35.2 2.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.559 -0.746 . . . . 64.32 110.35 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -78.06 -135.25 0.87 Allowed Glycine 0 CA--C 1.519 0.343 0 C-N-CA 121.094 -0.574 . . . . 31.51 113.692 -174.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -86.45 162.6 18.03 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.202 -0.296 . . . . 71.42 110.202 -175.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -74.99 5.0 5.64 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.925 0.393 . . . . 74.52 111.427 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 10' ' ' TYR . 40.4 m-85 -60.69 -23.5 64.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.972 -0.558 . . . . 73.02 110.62 172.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASN . . . . . 0.478 ' HA ' HG12 ' A' ' 127' ' ' VAL . 31.2 p-10 -61.14 -28.57 69.21 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.971 0.415 . . . . 64.24 110.417 176.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 128' ' ' ASP . 21.7 t70 -75.97 -33.29 59.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.566 0.698 . . . . 71.43 110.305 174.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' TYR . . . . . 0.417 ' HB3' ' O ' ' A' ' 123' ' ' PHE . 44.1 t80 -65.03 -41.92 94.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.201 -0.909 . . . . 71.41 110.443 177.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' VAL . . . . . 0.478 HG12 ' HA ' ' A' ' 124' ' ' ASN . 12.4 p -77.22 -20.26 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 120.902 0.382 . . . . 73.14 110.578 177.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ASP . . . . . 0.488 ' HB3' ' O ' ' A' ' 125' ' ' ASP . 5.6 t70 -60.66 -43.75 97.25 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.053 0.454 . . . . 75.31 110.325 174.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 71.7 mtm -66.86 -32.94 74.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.816 -0.629 . . . . 73.55 110.422 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -60.68 -48.58 81.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 64.14 110.451 174.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.26 -39.94 80.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.998 -0.547 . . . . 73.14 111.119 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -55.41 -50.23 70.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.415 0.626 . . . . 74.24 110.561 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.9 t -74.73 -32.49 62.13 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.255 -0.884 . . . . 41.33 110.96 -174.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.7 -31.34 72.22 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.643 0.608 . . . . 70.03 112.643 -174.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' LEU . . . . . 1.056 ' HG ' ' HB3' ' A' ' 19' ' ' GLN . 3.7 mm? -83.83 -8.31 59.25 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.061 -0.255 . . . . 73.35 111.072 -175.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 116.36 4.8 17.52 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.036 -1.078 . . . . 52.33 113.152 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 48.8 mt . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 109.418 -0.586 . . . . 74.52 109.418 176.837 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.49 ' HB3' ' OD1' ' A' ' 29' ' ' ASP . 1.3 mpt? . . . . . 0 N--CA 1.476 0.829 0 CA-C-O 121.127 0.489 . . . . 71.44 110.101 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -127.9 156.84 41.96 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.637 -0.71 . . . . 65.21 109.536 -178.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -84.29 23.86 1.04 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.959 0.409 . . . . 72.44 111.239 -176.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 63.7 mtt180 -74.26 -23.58 59.15 Favored 'General case' 0 CA--C 1.516 -0.331 0 CA-C-O 121.496 0.665 . . . . 74.33 110.093 172.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.1 p -94.79 93.74 7.67 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 115.382 -0.826 . . . . 63.35 111.202 -176.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 57.21 173.88 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 O-C-N 124.2 0.938 . . . . 51.42 113.008 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -137.16 143.11 42.25 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 114.929 -1.032 . . . . 73.54 108.474 172.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.484 ' HB2' HG13 ' A' ' 27' ' ' VAL . 18.0 m-20 -113.64 138.86 49.6 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 120.849 0.357 . . . . 64.22 110.316 -177.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.7 t -128.82 111.02 22.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.594 -0.521 . . . . 74.42 109.594 178.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.777 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 47.9 m-85 -86.26 126.85 34.58 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.799 -0.445 . . . . 75.32 109.799 177.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.523 HG23 ' HB2' ' A' ' 76' ' ' HIS . 14.9 t -152.1 12.16 0.57 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.303 -0.408 . . . . 63.44 111.596 -175.757 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.421 ' HB3' HD21 ' A' ' 124' ' ' ASN . 36.2 t70 -85.96 79.03 9.34 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.431 0.634 . . . . 75.35 110.788 -178.43 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -96.66 108.47 3.67 Favored Glycine 0 N--CA 1.442 -0.906 0 N-CA-C 110.088 -1.205 . . . . 73.33 110.088 171.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 4.4 p -58.01 120.75 9.1 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.094 0.473 . . . . 73.14 111.445 -176.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 40.1 p90 -69.13 148.5 49.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.611 -0.722 . . . . 64.43 110.575 -178.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.547 HG22 ' ND2' ' A' ' 17' ' ' ASN . 13.6 p -128.45 130.55 69.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 116.148 -0.478 . . . . 73.22 110.255 -177.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.547 ' ND2' HG22 ' A' ' 16' ' ' VAL . 62.0 m-80 60.52 28.7 18.38 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.731 -0.668 . . . . 63.21 111.051 -177.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.54 -12.13 35.44 Favored Glycine 0 CA--C 1.52 0.344 0 C-N-CA 121.015 -0.612 . . . . 74.2 112.942 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -74.14 127.03 31.88 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.888 0.375 . . . . 62.12 110.928 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 71.5 m-85 -98.35 134.44 41.35 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.826 -0.624 . . . . 73.32 110.552 179.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.403 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -125.35 150.23 47.38 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 108.449 -0.945 . . . . 61.25 108.449 172.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -96.45 129.97 43.7 Favored 'General case' 0 C--N 1.318 -0.774 0 C-N-CA 120.042 -0.663 . . . . 70.43 110.296 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.791 ' HB1' HG22 ' A' ' 127' ' ' VAL . . . -127.73 135.56 50.33 Favored 'General case' 0 C--N 1.315 -0.902 0 CA-C-N 115.314 -0.857 . . . . 71.23 108.72 177.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 78.3 m-85 -141.98 137.6 31.32 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.196 0.522 . . . . 74.24 111.239 -179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.777 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . . . -131.79 112.5 12.55 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.083 -0.962 . . . . 61.05 109.673 176.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -84.54 102.96 13.27 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.307 0.575 . . . . 71.44 109.928 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.566 ' HB ' HG22 ' A' ' 32' ' ' VAL . 2.5 p -111.54 130.84 64.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-N 115.362 -0.835 . . . . 55.35 111.242 -176.305 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 29' ' ' ASP . 21.9 mtpp -130.95 135.41 47.62 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.273 -0.876 . . . . 74.25 108.888 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.49 ' OD1' ' HB3' ' A' ' 1' ' ' MET . 29.9 t70 69.16 9.22 7.26 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.853 0.835 . . . . 73.2 110.623 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.12 -1.22 79.84 Favored Glycine 0 N--CA 1.448 -0.557 0 C-N-CA 120.708 -0.758 . . . . 72.3 111.524 -175.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 42.1 mmtm -103.74 127.16 51.24 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.577 -0.527 . . . . 74.43 109.577 177.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.566 HG22 ' HB ' ' A' ' 27' ' ' VAL . 71.3 t -81.38 118.02 28.41 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.91 0 N-CA-C 109.471 -0.566 . . . . 64.45 109.471 178.586 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -71.73 -40.45 69.41 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.827 -0.434 . . . . 71.44 109.827 -178.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -171.96 160.6 5.46 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.698 -0.683 . . . . 74.52 109.167 175.04 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -141.74 160.29 40.48 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 116.373 -0.376 . . . . 73.44 110.407 175.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -162.47 166.92 24.32 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 108.935 -0.765 . . . . 71.52 108.935 177.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.425 ' HB3' ' HG3' ' A' ' 130' ' ' LYS . . . -165.97 139.64 4.33 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.679 -0.237 . . . . 54.51 110.77 -175.512 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.59 ' HA ' ' CB ' ' A' ' 134' ' ' ALA . 18.8 t0 -162.24 173.61 13.99 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.528 -0.545 . . . . 72.32 109.528 179.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 26.9 m -95.13 156.58 3.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 120.728 0.299 . . . . 75.41 110.905 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.29 92.49 0.44 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.674 -0.774 . . . . 73.02 112.217 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -100.58 89.29 3.87 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.858 -0.423 . . . . 75.41 109.858 -179.448 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -137.29 150.66 69.6 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 115.922 -0.581 . . . . 72.31 109.928 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -59.6 -36.59 92.17 Favored 'Trans proline' 0 C--N 1.343 0.239 0 C-N-CA 122.814 2.342 . . . . 75.21 112.74 179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.78 -6.03 46.68 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.135 0.42 . . . . 74.33 112.135 -177.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.547 ' HB1' HH21 ' A' ' 49' ' ' ARG . . . -73.62 -6.93 49.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.725 0.298 . . . . 71.42 111.441 -178.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.569 ' HA ' ' O ' ' A' ' 49' ' ' ARG . . . -63.25 -21.23 66.1 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.165 -0.47 . . . . 71.31 111.037 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.9 m -58.63 -29.89 66.87 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.212 0.53 . . . . 62.04 110.961 177.082 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.4 mtm -107.94 -46.35 3.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.025 -0.534 . . . . 73.34 110.356 178.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.569 ' O ' ' HA ' ' A' ' 46' ' ' ALA . 26.4 mtm-85 -111.23 105.89 14.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.698 -0.683 . . . . 55.51 110.138 -176.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -82.01 10.0 7.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.977 -0.556 . . . . 71.1 111.18 -173.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.5 t -53.87 -29.44 18.16 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.291 0 CA-C-N 115.607 -0.724 . . . . 63.51 111.106 178.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.37 -23.57 16.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.614 -0.721 . . . . 74.33 111.756 178.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.51 -50.13 64.41 Favored Glycine 0 C--N 1.334 0.427 0 C-N-CA 120.94 -0.648 . . . . 74.44 111.935 178.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -66.03 -38.42 88.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.917 0.389 . . . . 64.55 110.083 177.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 71.6 mt -64.31 -30.85 51.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.851 -0.613 . . . . 72.11 110.698 179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.44 -39.53 70.95 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.215 -0.448 . . . . 54.43 110.64 177.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.443 ' HA ' ' HD2' ' A' ' 60' ' ' TYR . . . -72.15 -28.94 63.57 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.14 0.495 . . . . 34.32 110.488 177.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -66.23 -24.9 66.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.839 -0.619 . . . . 42.04 110.632 175.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.2 tt -64.25 -39.27 93.61 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.346 -0.613 . . . . 72.15 109.346 176.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.443 ' HD2' ' HA ' ' A' ' 57' ' ' ALA . 97.4 m-85 -68.57 -33.48 74.14 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.853 -0.612 . . . . 72.53 110.244 176.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.53 -39.1 91.39 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.322 176.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 58' ' ' ALA . 92.7 t -62.99 -43.91 99.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 115.985 -0.552 . . . . 71.21 110.259 175.223 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -66.47 -39.21 88.67 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.079 -0.509 . . . . 64.44 110.237 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -66.26 -35.81 81.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.721 -0.672 . . . . 71.22 111.047 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.52 -32.98 67.59 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 55.11 111.344 -178.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -56.43 -38.86 72.16 Favored 'General case' 0 C--O 1.232 0.183 0 CA-C-N 116.095 -0.502 . . . . 63.31 110.61 177.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -71.15 -33.11 69.73 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.482 -0.781 . . . . 70.43 111.053 -177.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.8 mp -83.11 -24.71 32.51 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.202 -0.454 . . . . 72.04 111.004 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.87 14.31 46.73 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.829 -0.7 . . . . 74.3 112.099 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.58 172.0 4.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 N-CA-C 110.168 -0.308 . . . . 75.43 110.168 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 109' ' ' ILE . 31.5 pttt -153.65 178.18 10.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 120.531 0.205 . . . . 72.13 110.729 179.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.9 pp -124.73 166.64 19.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 116.304 -0.407 . . . . 72.34 110.172 177.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 34.3 ptt180 -135.36 141.75 45.62 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.631 -0.258 . . . . 74.14 110.307 -179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.494 HG23 ' HD1' ' A' ' 112' ' ' PHE . 20.8 tt -105.26 139.52 26.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 109.4 -0.593 . . . . 63.33 109.4 174.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 5.2 mp -119.96 24.33 10.56 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.894 0.331 . . . . 75.31 111.894 -172.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.523 ' HB2' HG23 ' A' ' 11' ' ' THR . 1.4 t-80 -142.22 -80.27 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 119.759 -0.776 . . . . 75.32 112.025 -178.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -93.57 122.88 36.46 Favored 'General case' 0 CA--C 1.516 -0.36 0 CA-C-O 121.231 0.539 . . . . 64.1 111.596 -176.13 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -137.96 1.42 2.27 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 115.245 -0.889 . . . . 72.31 108.631 174.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.61 -48.8 5.93 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.059 -0.973 . . . . 70.12 111.535 -174.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -66.66 -28.38 73.73 Favored Glycine 0 C--N 1.331 0.269 0 C-N-CA 120.863 -0.684 . . . . 72.4 112.416 -175.185 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.491 ' HA ' ' CZ3' ' A' ' 84' ' ' TRP . 56.9 mt -65.3 -26.67 40.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-O 121.038 0.446 . . . . 75.25 111.176 -178.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.646 ' HA ' ' HG ' ' A' ' 102' ' ' LEU . . . -75.02 -9.95 59.02 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.128 0.418 . . . . 63.0 112.128 -175.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -71.94 -47.03 55.28 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.837 0.351 . . . . 74.51 111.375 -177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.491 ' CZ3' ' HA ' ' A' ' 81' ' ' ILE . 5.4 m-90 -73.29 -18.06 61.25 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.443 -0.344 . . . . 63.43 111.816 -173.34 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.775 ' HB2' ' HB3' ' A' ' 102' ' ' LEU . . . -66.8 -21.29 66.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 42.14 111.396 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.2 t -119.58 27.45 8.75 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.117 0.484 . . . . 62.43 110.415 -178.075 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -55.04 -72.6 0.53 Allowed Glycine 0 C--N 1.334 0.447 0 CA-C-N 115.502 -0.772 . . . . 64.1 112.874 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -96.08 -59.4 1.85 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.602 0.715 . . . . 74.32 110.322 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.416 ' CG ' ' N ' ' A' ' 90' ' ' LYS . 18.1 t90 -174.29 -164.61 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.331 -1.359 . . . . 73.24 107.331 -172.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.416 ' N ' ' CG ' ' A' ' 89' ' ' TRP . 0.4 OUTLIER -54.21 134.29 44.61 Favored 'General case' 0 C--O 1.24 0.591 0 CA-C-O 121.115 0.484 . . . . 73.34 111.486 -179.761 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.4 114.52 5.48 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.009 -0.996 . . . . 73.05 111.571 -179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 93' ' ' ASN . 28.0 mttp -99.8 121.8 41.82 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.65 -0.704 . . . . 75.45 109.498 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.411 ' HB3' ' O ' ' A' ' 92' ' ' LYS . 24.7 t-20 71.47 157.88 0.18 Allowed 'General case' 0 CA--C 1.536 0.408 0 O-C-N 123.481 0.488 . . . . 72.15 110.149 -179.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.511 ' HA ' ' HB2' ' A' ' 97' ' ' GLN . 40.0 mt-10 -59.47 -23.58 62.86 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.312 -0.243 . . . . 75.54 111.493 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 79.2 t80 -60.77 -54.86 40.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.782 0.325 . . . . 74.42 110.659 177.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.8 m -71.27 -29.09 64.65 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.865 0.364 . . . . 70.12 110.539 179.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.667 ' HG2' ' HG2' ' A' ' 103' ' ' MET . 41.3 mt-30 -63.87 -33.45 75.72 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-N 116.392 -0.367 . . . . 75.13 111.164 176.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.11 -34.83 71.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.84 0.352 . . . . 60.24 110.327 176.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 93.9 t80 -68.11 -39.08 82.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.689 -0.687 . . . . 74.31 110.256 176.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.659 ' HB1' ' HA ' ' A' ' 85' ' ' ALA . . . -69.89 -43.88 70.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.872 -0.604 . . . . 71.21 110.704 177.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 51.4 tptt 69.79 -54.02 0.61 Allowed 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 115.368 -0.833 . . . . 75.44 111.91 177.122 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.775 ' HB3' ' HB2' ' A' ' 85' ' ' ALA . 2.4 tm? -64.38 -20.62 66.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.914 0.388 . . . . 72.44 110.187 179.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.667 ' HG2' ' HG2' ' A' ' 97' ' ' GLN . 14.3 tpt -54.87 -27.53 43.36 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.087 -0.506 . . . . 74.13 110.705 177.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -55.44 -17.7 5.6 Favored 'General case' 0 N--CA 1.468 0.445 0 C-N-CA 123.591 0.757 . . . . 64.25 111.789 177.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.434 ' HB2' ' O ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -48.05 -40.03 21.8 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 113.172 0.804 . . . . 74.44 113.172 -176.495 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 30.7 p90 -71.09 -21.42 62.23 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 121.202 0.525 . . . . 74.11 110.37 -178.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -79.89 118.28 21.51 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.661 -0.7 . . . . 74.03 109.725 179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -75.07 19.09 2.29 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 121.358 -0.449 . . . . 65.21 114.045 -172.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.493 ' O ' ' HB2' ' A' ' 71' ' ' LYS . 4.0 mp -97.07 -11.39 8.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.699 0.762 . . . . 65.24 109.37 178.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -126.13 144.28 50.8 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.549 -0.751 . . . . 72.13 109.336 179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 83.5 p -169.05 171.39 8.22 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.945 -0.391 . . . . 72.24 109.945 179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.494 ' HD1' HG23 ' A' ' 74' ' ' ILE . 78.2 t80 -122.0 135.22 54.83 Favored 'General case' 0 C--N 1.32 -0.71 0 N-CA-C 109.507 -0.553 . . . . 75.1 109.507 176.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -128.8 124.54 35.68 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.36 -0.607 . . . . 73.01 109.36 176.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -107.88 110.8 22.66 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.267 0.556 . . . . 64.45 110.909 -176.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.3 m -121.1 162.32 20.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.815 0 CA-C-N 115.396 -0.82 . . . . 72.3 109.819 176.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 54.7 tptt -111.33 101.83 10.27 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.692 -0.484 . . . . 75.11 109.692 175.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -142.4 117.03 9.75 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.977 -0.556 . . . . 73.34 110.888 -179.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 20.4 p80 -95.1 12.39 28.84 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.483 0.659 . . . . 70.24 109.682 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.1 m -87.99 36.53 0.77 Allowed 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.084 -0.962 . . . . 52.22 110.321 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -55.29 119.05 11.62 Favored Glycine 0 N--CA 1.446 -0.688 0 CA-C-N 115.593 -0.73 . . . . 65.02 113.112 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.562 HD21 ' HD2' ' A' ' 123' ' ' PHE . 49.7 t30 -54.38 145.78 17.28 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 114.782 -0.709 . . . . 63.34 110.107 175.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -53.61 -33.87 56.5 Favored 'General case' 0 N--CA 1.466 0.33 0 N-CA-C 111.964 0.357 . . . . 73.12 111.964 -173.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.562 ' HD2' HD21 ' A' ' 121' ' ' ASN . 74.2 m-85 -63.49 -30.96 72.0 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.418 -0.356 . . . . 74.41 111.455 -178.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.421 HD21 ' HB3' ' A' ' 12' ' ' ASP . 9.0 t30 -77.86 -36.55 49.79 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 110.039 -0.356 . . . . 62.33 110.039 178.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -61.76 -33.67 74.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.292 0.567 . . . . 65.42 110.032 177.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -60.68 -46.77 89.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.137 -0.938 . . . . 72.11 110.715 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.791 HG22 ' HB1' ' A' ' 23' ' ' ALA . 9.9 p -78.25 -26.63 14.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 CA-C-O 120.669 0.271 . . . . 70.32 110.849 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.464 ' O ' ' HD3' ' A' ' 132' ' ' LYS . 14.9 t70 -62.5 -49.45 75.29 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.754 0.311 . . . . 75.31 110.485 178.363 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 25.1 ptm -63.69 -31.64 72.87 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.393 -0.367 . . . . 74.53 110.294 178.3 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.425 ' HG3' ' HB3' ' A' ' 37' ' ' ALA . 0.3 OUTLIER -63.51 -36.13 82.74 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-N 116.25 -0.432 . . . . 51.12 110.417 176.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -67.17 -38.54 85.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.166 -0.47 . . . . 54.02 110.703 178.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.464 ' HD3' ' O ' ' A' ' 128' ' ' ASP . 0.5 OUTLIER -62.78 -34.25 76.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.123 0.487 . . . . 74.04 110.512 177.855 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 27.6 t -60.25 -34.53 73.84 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.577 -0.738 . . . . 73.35 110.506 178.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.59 ' CB ' ' HA ' ' A' ' 38' ' ' ASP . . . -72.48 -25.69 61.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 74.21 111.681 -177.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 135' ' ' LEU . 4.1 mm? -85.25 -9.69 57.44 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.095 0.474 . . . . 73.23 109.944 179.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 97.53 20.56 21.96 Favored Glycine 0 N--CA 1.443 -0.889 0 C-N-CA 120.551 -0.833 . . . . 51.11 112.322 179.612 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 2.0 mp -86.89 111.56 21.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.4 0.619 . . . . 73.34 110.453 177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -114.62 -176.03 2.81 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.066 -0.97 . . . . 74.01 108.771 171.445 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -62.47 138.03 58.38 Favored 'General case' 0 C--N 1.321 -0.653 0 N-CA-C 107.889 -1.152 . . . . 74.11 107.889 168.311 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 84.8 mt -65.67 -15.3 62.66 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.157 0.503 . . . . 74.04 111.449 -173.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -81.24 -3.84 53.64 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.766 -0.652 . . . . 71.11 110.681 175.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 31.5 m80 -125.92 151.22 47.24 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.255 -0.429 . . . . 74.34 110.173 178.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 45.1 m80 -141.63 150.95 42.64 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.859 -0.423 . . . . 61.05 109.859 178.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 23.6 t-80 -139.32 100.58 4.03 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.077 0.465 . . . . 75.21 110.654 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -142.87 170.02 16.49 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.891 -0.595 . . . . 64.41 110.477 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -136.17 159.51 41.52 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.143 -0.688 . . . . 74.12 109.143 174.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 60.4 t-80 . . . . . 0 C--O 1.247 0.949 0 CA-C-O 118.501 -0.761 . . . . 64.13 109.681 179.172 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.429 ' HB2' ' OD1' ' A' ' 3' ' ' ASP . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.861 0 N-CA-C 109.852 -0.425 . . . . 62.54 109.852 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -127.26 9.94 6.77 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.145 -0.479 . . . . 74.24 110.258 -178.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.429 ' OD1' ' HB2' ' A' ' 1' ' ' MET . 10.3 p-10 -78.48 81.47 4.81 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.912 0.863 . . . . 74.14 111.205 -177.485 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 4' ' ' ARG . 12.6 ptt180 -100.22 3.64 43.77 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.143 -1.058 . . . . 73.12 108.143 167.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.78 131.45 45.98 Favored 'General case' 0 N--CA 1.442 -0.861 0 CA-C-N 114.244 -1.344 . . . . 70.41 110.018 177.146 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.568 ' HG3' HH22 ' A' ' 73' ' ' ARG . 8.9 pt-20 -58.14 143.83 42.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.824 0.345 . . . . 74.25 110.772 -178.597 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.621 ' HB2' HG22 ' A' ' 72' ' ' ILE . 10.2 m-85 -72.75 131.59 42.54 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 112.702 0.63 . . . . 75.0 112.702 -167.487 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.9 m-20 -113.45 130.56 56.29 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.11 -0.95 . . . . 63.22 109.562 176.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 56.6 t -121.36 111.73 32.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 N-CA-C 109.515 -0.55 . . . . 75.33 109.515 176.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.421 ' HD1' HG11 ' A' ' 27' ' ' VAL . 76.0 m-85 -101.03 113.97 27.47 Favored 'General case' 0 C--N 1.318 -0.771 0 CA-C-O 121.593 0.711 . . . . 72.33 110.001 178.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.558 HG23 ' HB2' ' A' ' 76' ' ' HIS . 1.6 t -141.71 94.44 2.68 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 114.862 -1.063 . . . . 71.54 110.041 -176.409 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.731 ' HB2' ' HB2' ' A' ' 124' ' ' ASN . 3.2 t0 -98.47 -166.62 1.39 Allowed 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.702 -0.851 . . . . 63.44 108.702 -179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 66.97 67.09 2.11 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.755 -0.736 . . . . 61.5 111.788 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.509 ' HA ' ' CE1' ' A' ' 76' ' ' HIS . 45.9 m -77.66 -82.45 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.092 -0.336 . . . . 64.41 110.092 177.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 10.6 p90 -146.89 128.96 15.55 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.797 0.332 . . . . 75.4 110.364 174.042 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 6.8 p -114.55 125.22 71.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.943 -0.571 . . . . 51.31 109.99 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 14.7 m120 57.66 26.87 13.47 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 115.713 -0.676 . . . . 74.03 111.123 -177.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 97.88 -25.63 26.7 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 121.151 -0.547 . . . . 70.24 112.639 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -76.97 125.42 29.28 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.988 -0.375 . . . . 72.43 109.988 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 13.2 p90 -107.7 149.22 28.4 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.86 0.362 . . . . 75.33 110.74 -177.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.593 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -145.6 169.41 18.48 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.893 -0.594 . . . . 73.31 109.858 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.639 ' CZ2' ' HB3' ' A' ' 38' ' ' ASP . 52.2 p-90 -122.07 129.57 52.51 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.242 0.544 . . . . 72.43 110.25 176.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.86 ' HB1' HG22 ' A' ' 127' ' ' VAL . . . -152.06 136.82 17.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.275 -0.875 . . . . 72.21 109.095 -179.499 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 48.1 p90 -155.4 154.17 31.54 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 120.933 0.397 . . . . 75.44 111.231 -176.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -133.95 122.63 23.36 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.51 -0.768 . . . . 70.02 109.876 174.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.655 ' HB2' ' HB2' ' A' ' 34' ' ' TYR . 36.0 m-85 -84.25 104.23 14.12 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-O 121.007 0.432 . . . . 72.52 110.117 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 3.8 p -118.0 127.93 75.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.66 0 CA-C-N 115.553 -0.748 . . . . 74.03 111.153 -176.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -129.05 131.58 47.35 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.051 -0.722 . . . . 73.13 109.051 175.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 24.5 t70 66.24 13.07 8.99 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 121.565 0.698 . . . . 74.22 110.705 174.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.45 1.35 59.15 Favored Glycine 0 N--CA 1.449 -0.439 0 CA-C-N 115.686 -0.688 . . . . 63.2 112.581 -179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.45 ' O ' ' HA ' ' A' ' 27' ' ' VAL . 12.3 mptt -109.48 143.08 39.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.095 0.474 . . . . 74.52 110.586 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 56.7 t -108.75 124.39 65.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.798 -0.637 . . . . 62.21 110.681 -176.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 20.6 t-160 -111.8 -27.35 8.52 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.348 -0.387 . . . . 74.24 111.411 -177.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.655 ' HB2' ' HB2' ' A' ' 26' ' ' PHE . 94.0 m-85 -129.35 140.46 51.37 Favored 'General case' 0 C--N 1.328 -0.355 0 O-C-N 122.268 -0.27 . . . . 75.13 110.933 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -157.84 124.17 4.8 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.737 -0.665 . . . . 64.21 110.034 -178.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -162.68 147.87 12.13 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 110.286 -0.265 . . . . 63.31 110.286 176.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -143.07 136.28 28.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.423 -0.353 . . . . 75.02 110.534 -179.3 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.639 ' HB3' ' CZ2' ' A' ' 22' ' ' TRP . 32.4 t70 -159.67 168.87 24.97 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.464 -0.569 . . . . 71.35 109.464 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 t -107.38 134.26 49.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-O 121.04 0.448 . . . . 74.22 111.375 -176.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 65.97 108.61 0.01 OUTLIER Glycine 0 CA--C 1.523 0.534 0 CA-C-N 115.294 -0.867 . . . . 73.12 114.034 178.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 15.0 ptpt -108.53 80.43 1.34 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.662 0.744 . . . . 65.2 110.234 173.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -80.82 153.11 72.69 Favored Pre-proline 0 C--N 1.323 -0.558 0 CA-C-N 115.345 -0.843 . . . . 73.3 110.118 179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.482 ' HG3' ' HG3' ' A' ' 92' ' ' LYS . 88.6 Cg_exo -46.54 -51.9 8.23 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 123.368 2.712 . . . . 64.23 113.654 -175.013 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.91 -53.72 29.25 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.704 -0.226 . . . . 73.24 111.143 -177.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.58 -50.17 72.73 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 55.01 112.207 -177.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.32 -36.06 81.0 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 120.796 0.331 . . . . 72.42 111.552 -176.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 25.8 m -76.91 -41.37 43.78 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.929 0.395 . . . . 64.41 110.542 179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 49.4 tpp -62.27 -44.1 97.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.031 -0.532 . . . . 74.15 110.55 179.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.1 mtp180 -75.96 -4.11 39.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.799 -0.637 . . . . 75.44 111.508 -178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 12.0 t30 70.06 0.66 3.19 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.21 -0.45 . . . . 71.44 112.04 173.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 59.2 t -56.01 -44.56 78.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.443 -0.344 . . . . 53.24 111.377 -177.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.554 ' HA ' HD11 ' A' ' 55' ' ' ILE . . . -62.66 -16.74 58.44 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.935 -0.575 . . . . 73.14 112.115 -177.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.17 -39.18 96.0 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.039 -0.6 . . . . 54.04 112.744 -178.358 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -63.29 -48.61 77.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.972 0.415 . . . . 73.41 110.742 -178.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.662 HD13 ' H ' ' A' ' 55' ' ' ILE . 0.0 OUTLIER -69.47 -28.74 39.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.194 -0.457 . . . . 73.41 111.251 177.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.11 -41.5 97.23 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.993 0.425 . . . . 42.14 110.339 175.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.49 -35.52 77.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.26 0.552 . . . . 74.11 110.341 175.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.48 -22.2 66.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.523 -0.762 . . . . 54.3 111.383 178.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.3 tp -59.86 -35.45 74.82 Favored 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.102 0.477 . . . . 60.33 110.646 178.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.9 m-85 -68.52 -31.32 70.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.067 -0.515 . . . . 72.2 110.724 176.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.85 -34.94 74.3 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.843 -0.428 . . . . 74.3 109.843 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 86.6 t -64.1 -39.67 86.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.919 -0.582 . . . . 51.41 110.162 174.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 91.5 mttt -61.42 -42.58 98.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.008 -0.542 . . . . 73.44 110.624 175.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.436 ' HE2' ' HB3' ' A' ' 64' ' ' LYS . 51.6 mtpt -63.82 -37.79 88.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.31 -0.404 . . . . 72.32 110.754 175.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.498 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -65.05 -30.49 71.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.983 -0.553 . . . . 52.12 110.755 177.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 30.3 t -66.51 -41.88 88.18 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.219 -0.446 . . . . 62.01 109.81 175.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 13.1 mm-40 -71.68 -28.32 63.64 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.792 -0.64 . . . . 70.11 110.53 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 25.6 tp -81.67 -25.72 35.32 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.691 -0.686 . . . . 51.12 110.644 -178.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.66 34.86 12.57 Favored Glycine 0 N--CA 1.447 -0.567 0 C-N-CA 120.845 -0.693 . . . . 63.04 112.441 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.498 HG23 ' HB1' ' A' ' 65' ' ' ALA . 22.3 m -122.75 -177.35 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 N-CA-C 110.093 -0.336 . . . . 73.44 110.093 176.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.9 ptpt -152.8 172.99 15.87 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.678 0.275 . . . . 72.34 110.795 -176.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.621 HG22 ' HB2' ' A' ' 7' ' ' TYR . 38.1 pt -124.59 151.27 29.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.169 -0.468 . . . . 61.42 110.215 177.365 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.568 HH22 ' HG3' ' A' ' 6' ' ' GLU . 0.0 OUTLIER -106.09 118.67 37.23 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.605 -0.271 . . . . 73.44 110.925 179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 68.4 mt -113.91 118.61 58.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.628 -0.508 . . . . 64.54 109.628 175.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 81.9 mt -111.69 13.95 21.17 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.928 0.344 . . . . 72.25 111.928 -173.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.558 ' HB2' HG23 ' A' ' 11' ' ' THR . 63.0 t-80 -84.99 126.52 33.6 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.286 -0.635 . . . . 73.03 109.286 178.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -64.1 123.48 19.17 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.207 0.527 . . . . 71.23 110.936 -178.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 20.6 t80 -158.41 19.47 0.23 Allowed 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 107.892 -1.151 . . . . 72.5 107.892 177.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.19 -35.84 80.47 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 114.677 -1.147 . . . . 73.25 112.197 -171.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.472 ' O ' ' HD1' ' A' ' 83' ' ' PHE . . . -62.13 -42.89 99.74 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.869 -0.682 . . . . 35.34 112.805 -177.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 36.9 mm -76.37 -20.34 15.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-O 121.285 0.564 . . . . 72.31 111.242 -177.023 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.27 -10.88 60.49 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 113.328 0.862 . . . . 72.2 113.328 -170.182 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.472 ' HD1' ' O ' ' A' ' 80' ' ' GLY . 12.8 p90 -69.28 -17.66 63.76 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.47 -0.492 . . . . 65.53 110.722 -177.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.619 ' HB3' ' HB2' ' A' ' 90' ' ' LYS . 80.4 m95 -67.31 -18.43 65.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.028 -0.533 . . . . 65.32 111.262 178.037 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.663 ' HB1' ' HB3' ' A' ' 103' ' ' MET . . . -90.28 -0.66 57.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 70.13 111.796 -176.316 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.494 ' HB ' ' HB2' ' A' ' 104' ' ' ASN . 12.5 t -141.42 0.49 1.49 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.656 0.265 . . . . 72.51 111.67 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -88.1 -103.5 0.93 Allowed Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.445 -0.883 . . . . 62.34 111.876 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -97.95 -60.05 1.64 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.728 -0.471 . . . . 74.1 109.728 175.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.404 ' O ' ' HE3' ' A' ' 84' ' ' TRP . 19.4 p90 -175.12 153.65 1.65 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.031 -0.986 . . . . 72.12 108.91 177.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.619 ' HB2' ' HB3' ' A' ' 84' ' ' TRP . 34.8 ttmt -103.34 111.86 24.47 Favored 'General case' 0 C--N 1.322 -0.589 0 C-N-CA 120.793 -0.363 . . . . 73.51 110.24 175.445 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -107.02 87.85 2.6 Favored 'General case' 0 C--N 1.316 -0.875 0 CA-C-O 121.218 0.533 . . . . 72.44 109.787 173.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.482 ' HG3' ' HG3' ' A' ' 43' ' ' PRO . 53.5 tptt -86.88 -24.76 24.77 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.739 0.78 . . . . 74.43 109.214 178.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -147.73 -73.21 0.2 Allowed 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.018 -0.992 . . . . 63.3 109.98 178.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 60.1 tt0 -165.67 -57.82 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.016 0.436 . . . . 73.41 110.117 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -60.69 -29.79 69.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.532 -0.758 . . . . 74.15 111.105 -178.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.507 ' HB ' ' O ' ' A' ' 90' ' ' LYS . 0.0 OUTLIER -56.74 -30.41 63.54 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.293 -0.867 . . . . 70.45 111.88 -176.912 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -42.0 70.13 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.01 -0.541 . . . . 75.25 111.545 -179.195 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.26 -37.38 61.01 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.947 -0.57 . . . . 72.25 111.378 -177.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -80.29 -49.18 11.91 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.277 0.473 . . . . 73.04 112.277 -175.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.849 ' HA ' ' HB2' ' A' ' 103' ' ' MET . . . -77.74 -17.68 57.32 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.77 0.656 . . . . 44.12 112.77 -168.513 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -60.7 -33.09 72.35 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.016 0.436 . . . . 70.44 110.931 -178.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 92.1 mt -122.2 23.73 9.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.299 -0.409 . . . . 74.34 110.259 178.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.849 ' HB2' ' HA ' ' A' ' 100' ' ' ALA . 25.4 ttt -66.02 -38.29 88.06 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.473 . . . . 73.33 111.39 -174.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.582 ' O ' ' HG3' ' A' ' 107' ' ' ARG . 59.1 t30 -63.22 -34.26 77.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.982 0.42 . . . . 73.33 110.715 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.422 ' C ' HE21 ' A' ' 105' ' ' GLN . 0.0 OUTLIER -71.24 -32.77 69.16 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.365 178.34 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -78.69 -34.47 46.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.993 -0.548 . . . . 64.33 111.207 -177.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.582 ' HG3' ' O ' ' A' ' 104' ' ' ASN . 2.9 ppt_? -67.72 159.36 30.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.061 0.458 . . . . 62.34 110.827 -178.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 150.87 -45.07 0.66 Allowed Glycine 0 N--CA 1.446 -0.66 0 N-CA-C 110.472 -1.051 . . . . 74.11 110.472 -174.256 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.695 ' H ' HD12 ' A' ' 109' ' ' ILE . 4.1 mp -75.01 -39.9 44.66 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.284 0 N-CA-C 108.418 -0.956 . . . . 73.21 108.418 172.2 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -110.35 144.82 38.51 Favored 'General case' 0 N--CA 1.446 -0.657 0 N-CA-C 108.392 -0.966 . . . . 75.24 108.392 170.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 5.9 t -170.15 160.41 7.98 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.369 -0.604 . . . . 72.45 109.369 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -111.53 142.83 43.32 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.979 -0.555 . . . . 72.13 109.97 -178.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -136.35 116.56 13.5 Favored 'General case' 0 C--N 1.319 -0.738 0 N-CA-C 109.596 -0.52 . . . . 73.05 109.596 174.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -85.83 86.15 7.37 Favored 'General case' 0 N--CA 1.447 -0.599 0 CA-C-O 121.471 0.653 . . . . 74.52 110.235 -178.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.2 p -114.24 135.11 55.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.753 0 CA-C-N 115.066 -0.97 . . . . 74.23 109.541 177.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 18.1 tptm -127.66 92.28 3.46 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.431 0.634 . . . . 74.31 110.488 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -121.35 179.49 4.41 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.025 -0.989 . . . . 75.23 108.692 175.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 4.6 t60 -86.85 27.33 1.01 Allowed 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.46 0.648 . . . . 65.21 110.26 -178.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 26.0 t -91.14 29.32 1.42 Allowed 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.462 -0.79 . . . . 72.11 110.416 -177.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -67.65 109.72 3.06 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 116.104 -0.498 . . . . 54.14 112.114 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 9.6 m120 -78.45 -179.15 6.17 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-O 121.29 0.567 . . . . 63.0 111.086 179.365 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.545 ' CD ' ' H ' ' A' ' 122' ' ' GLU . 0.5 OUTLIER -80.55 -30.84 37.07 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.449 -0.796 . . . . 73.22 111.188 -175.653 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 37.2 m-85 -65.41 -46.4 80.17 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.157 -0.474 . . . . 61.44 111.344 -177.08 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.731 ' HB2' ' HB2' ' A' ' 12' ' ' ASP . 5.3 p-10 -76.31 -32.68 58.87 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.528 -0.306 . . . . 65.22 110.985 -176.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -63.16 -43.6 97.82 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.204 0.526 . . . . 73.21 110.701 178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -62.07 -46.59 88.42 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.62 -0.718 . . . . 72.33 111.161 -178.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.86 HG22 ' HB1' ' A' ' 23' ' ' ALA . 5.5 p -77.16 -23.9 14.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.366 -0.379 . . . . 54.42 110.907 -177.339 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.583 ' HB2' ' HB3' ' A' ' 12' ' ' ASP . 11.5 t70 -65.3 -37.26 86.59 Favored 'General case' 0 C--O 1.234 0.249 0 CA-C-O 120.989 0.423 . . . . 73.41 110.278 176.282 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 67.1 mtm -63.23 -45.4 91.81 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.198 -0.456 . . . . 73.15 109.842 174.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -55.68 -49.94 71.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.409 -0.814 . . . . 73.23 111.325 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.583 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -66.87 -51.54 54.22 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.286 -0.415 . . . . 74.14 111.938 -176.066 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 27.5 mtmm -66.97 -30.62 70.79 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 111.832 0.308 . . . . 72.54 111.832 -174.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.698 ' HA ' HG22 ' A' ' 137' ' ' ILE . 9.5 t -64.2 -30.94 71.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.059 0.457 . . . . 71.12 110.068 179.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -75.16 -7.21 53.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.975 -0.557 . . . . 74.43 111.35 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.593 HD21 ' HB2' ' A' ' 21' ' ' ALA . 3.3 mm? -96.45 -0.62 48.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.592 0.234 . . . . 62.03 110.745 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.24 25.0 35.01 Favored Glycine 0 N--CA 1.446 -0.699 0 C-N-CA 120.13 -1.033 . . . . 74.32 112.684 178.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.698 HG22 ' HA ' ' A' ' 133' ' ' SER . 12.0 tt -60.37 135.77 24.7 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 N-CA-C 110.352 -0.24 . . . . 72.13 110.352 178.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 22.8 ttt180 63.19 54.37 2.08 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-O 121.508 0.671 . . . . 63.02 109.469 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -66.57 154.61 40.0 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.024 -0.989 . . . . 74.25 111.604 -175.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.06 -11.69 37.98 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.03 -0.532 . . . . 53.35 112.343 -173.623 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 -108.67 -38.41 5.66 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-O 120.891 0.377 . . . . 74.23 111.169 -179.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -68.46 99.64 0.99 Allowed 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.132 -0.485 . . . . 73.25 110.021 179.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 33.3 m80 -116.68 169.24 9.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.119 -0.491 . . . . 72.34 111.41 -175.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -170.4 106.62 0.31 Allowed 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.12 -0.945 . . . . 75.24 109.286 171.277 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 15.9 p80 -119.13 151.0 39.07 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.516 -0.311 . . . . 75.51 110.346 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 49.3 t-80 -129.22 122.93 30.73 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.224 -0.444 . . . . 72.42 110.761 -177.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 9.0 t60 . . . . . 0 C--O 1.24 0.581 0 CA-C-O 118.767 -0.635 . . . . 75.3 109.491 176.852 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ttt . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.019 -0.363 . . . . 64.42 110.019 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -106.16 102.57 11.98 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.342 -0.39 . . . . 72.33 111.648 -176.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.6 ' HB3' ' HE1' ' A' ' 7' ' ' TYR . 56.8 m-20 56.89 80.28 0.16 Allowed 'General case' 0 N--CA 1.466 0.349 0 O-C-N 124.097 0.873 . . . . 73.45 112.125 173.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.1 mtt-85 -104.81 -15.87 15.07 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.378 -0.374 . . . . 63.05 111.988 -179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.445 ' OG1' ' HA ' ' A' ' 29' ' ' ASP . 41.0 p -101.69 150.52 23.04 Favored 'General case' 0 C--N 1.311 -1.089 0 C-N-CA 120.817 -0.353 . . . . 74.45 110.486 178.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -60.49 153.26 23.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.174 0.511 . . . . 43.51 111.086 -177.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.6 ' HE1' ' HB3' ' A' ' 3' ' ' ASP . 6.0 m-85 -106.4 127.27 53.15 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.203 -0.453 . . . . 75.41 111.175 -170.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.655 ' HB3' ' CE2' ' A' ' 10' ' ' TYR . 32.3 m-20 -114.57 90.51 3.36 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.294 -0.632 . . . . 62.21 109.294 175.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.418 ' O ' HG22 ' A' ' 74' ' ' ILE . 45.4 t -96.95 115.23 35.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.369 -0.378 . . . . 72.22 110.094 -176.7 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.655 ' CE2' ' HB3' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -143.11 114.99 8.23 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.5 0.666 . . . . 50.01 112.401 -179.251 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.779 HG22 ' HA ' ' A' ' 24' ' ' TYR . 14.9 p -86.51 93.21 9.11 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.259 -0.882 . . . . 64.52 109.4 170.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.458 ' HB2' ' HB2' ' A' ' 76' ' ' HIS . 10.2 t70 -130.19 112.81 13.73 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.372 -0.376 . . . . 74.22 110.587 -173.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -151.59 143.73 10.82 Favored Glycine 0 N--CA 1.452 -0.262 0 N-CA-C 111.608 -0.597 . . . . 64.14 111.608 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 3.1 m -91.24 130.09 37.16 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.957 0.408 . . . . 63.4 111.875 -174.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.4 p90 -72.19 153.91 41.34 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.725 -0.843 . . . . 74.11 108.725 170.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.595 HG13 HD22 ' A' ' 17' ' ' ASN . 7.9 p -154.81 154.44 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 C-N-CA 120.536 -0.466 . . . . 72.44 111.29 -176.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.595 HD22 HG13 ' A' ' 16' ' ' VAL . 61.6 m-80 63.3 27.46 15.43 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 123.374 0.67 . . . . 70.44 110.58 -178.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 71.06 6.89 61.43 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.981 -0.628 . . . . 72.14 112.88 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.421 ' HB2' HD22 ' A' ' 135' ' ' LEU . 39.3 mt-30 -107.37 151.0 26.09 Favored 'General case' 0 C--N 1.328 -0.363 0 O-C-N 122.527 -0.396 . . . . 61.13 110.073 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 28.8 m-85 -107.16 138.0 44.16 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 120.914 0.388 . . . . 61.33 110.776 -176.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.587 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -138.31 131.46 30.11 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.808 -0.633 . . . . 74.0 109.405 174.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 7.3 p-90 -90.08 128.76 36.38 Favored 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 108.949 -0.759 . . . . 64.51 108.949 177.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.868 ' HB1' HG22 ' A' ' 127' ' ' VAL . . . -118.8 136.18 54.14 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.586 -0.734 . . . . 73.01 109.837 -176.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.779 ' HA ' HG22 ' A' ' 11' ' ' THR . 31.5 p90 -138.66 138.07 37.45 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.605 0.717 . . . . 64.04 112.044 -177.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.51 ' HA ' ' O ' ' A' ' 34' ' ' TYR . . . -150.94 101.89 2.93 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 114.538 -1.21 . . . . 70.25 108.794 174.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -87.95 97.64 11.06 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.703 -0.48 . . . . 71.01 109.703 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.448 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 2.5 p -109.3 110.87 33.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.801 0 CA-C-N 115.607 -0.724 . . . . 64.44 110.858 -178.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.551 ' HB2' ' CD1' ' A' ' 7' ' ' TYR . 16.4 ptmt -123.41 135.91 54.36 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.842 -0.799 . . . . 71.43 108.842 175.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.445 ' HA ' ' OG1' ' A' ' 5' ' ' THR . 36.8 t70 64.56 19.93 11.98 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.887 0.851 . . . . 73.21 109.992 -178.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 83.17 3.03 90.45 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.686 -0.688 . . . . 74.42 112.282 -177.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.448 ' O ' ' HA ' ' A' ' 27' ' ' VAL . 25.0 mmtp -105.05 125.35 50.88 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.881 0.372 . . . . 73.54 110.277 -177.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.447 HG22 ' HB ' ' A' ' 27' ' ' VAL . 26.1 t -90.38 107.82 18.86 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.836 0 CA-C-N 115.878 -0.601 . . . . 62.41 109.957 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.414 ' CE1' ' HB1' ' A' ' 57' ' ' ALA . 11.7 t-160 -76.11 -30.28 58.19 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.171 -0.468 . . . . 74.0 110.524 -176.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.51 ' O ' ' HA ' ' A' ' 25' ' ' ALA . 2.8 m-85 -150.0 140.8 22.73 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-N 116.047 -0.524 . . . . 73.41 109.983 177.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.41 ' HB3' HG11 ' A' ' 32' ' ' VAL . 9.1 pt-20 -147.52 118.79 7.81 Favored 'General case' 0 C--N 1.321 -0.642 0 O-C-N 123.579 0.549 . . . . 73.01 110.562 178.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.479 ' HB3' ' CZ ' ' A' ' 24' ' ' TYR . 4.5 t70 -176.39 173.31 2.12 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.959 -0.564 . . . . 73.4 109.54 179.481 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.586 ' HB3' ' HD2' ' A' ' 130' ' ' LYS . . . -156.29 133.65 10.75 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.64 -0.504 . . . . 34.34 109.64 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -133.85 162.94 30.65 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.494 -0.558 . . . . 71.32 109.494 -178.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.426 ' HA ' ' HA ' ' A' ' 21' ' ' ALA . 34.6 m -83.76 178.37 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.624 0.249 . . . . 62.22 111.258 -177.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -58.46 138.38 49.16 Favored Glycine 0 C--N 1.332 0.358 0 C-N-CA 121.222 -0.514 . . . . 62.22 112.162 177.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' HD3' ' NH1' ' A' ' 49' ' ' ARG . 17.8 mtpp -118.82 -178.75 3.62 Favored 'General case' 0 N--CA 1.446 -0.662 0 CA-C-O 121.038 0.447 . . . . 74.22 110.301 -175.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -110.69 151.14 42.65 Favored Pre-proline 0 C--N 1.318 -0.8 0 CA-C-N 115.666 -0.697 . . . . 72.21 110.529 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_exo -62.09 -28.29 79.88 Favored 'Trans proline' 0 C--N 1.345 0.386 0 C-N-CA 123.055 2.503 . . . . 74.54 112.694 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -59.66 -36.32 76.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.14 -0.482 . . . . 43.04 111.585 -178.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.452 ' O ' ' HB3' ' A' ' 49' ' ' ARG . . . -98.66 -1.26 41.2 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.428 -0.351 . . . . 72.41 110.976 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.5 ' HA ' ' HD3' ' A' ' 49' ' ' ARG . . . -83.16 -33.4 26.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.519 -0.31 . . . . 64.23 111.385 -177.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 20.8 m -61.08 -38.5 86.49 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 115.969 -0.559 . . . . 72.2 111.601 -178.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 72.0 mtm -139.61 92.71 2.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.006 0.431 . . . . 74.32 110.042 -177.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.5 ' HD3' ' HA ' ' A' ' 46' ' ' ALA . 36.9 ptt180 -142.95 161.14 38.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.601 -0.727 . . . . 71.13 110.794 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -68.24 -14.91 63.34 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.202 -0.454 . . . . 71.02 111.175 -177.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.453 ' O ' HG12 ' A' ' 55' ' ' ILE . 97.4 t -52.78 -29.66 14.61 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 120.99 0.424 . . . . 62.51 110.546 174.405 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.57 -31.37 66.09 Favored 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 116.076 -0.511 . . . . 33.43 111.158 177.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.67 -36.2 49.08 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 121.025 -0.607 . . . . 73.11 112.062 175.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -68.33 -43.49 77.41 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.863 0.363 . . . . 74.34 110.874 -178.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.453 HG12 ' O ' ' A' ' 51' ' ' VAL . 17.4 pt -70.18 -29.85 41.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.407 -0.361 . . . . 65.54 110.965 177.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.425 ' O ' ' HB3' ' A' ' 59' ' ' LEU . . . -62.77 -26.79 68.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.089 0.471 . . . . 34.12 110.748 175.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.414 ' HB1' ' CE1' ' A' ' 33' ' ' HIS . . . -72.85 -25.14 61.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.143 -0.48 . . . . 63.04 110.646 177.179 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.31 -37.23 53.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.982 -0.554 . . . . 64.12 109.527 173.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.425 ' HB3' ' O ' ' A' ' 56' ' ' ALA . 35.2 tp -53.7 -49.47 68.0 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 115.345 -0.843 . . . . 65.53 110.376 174.154 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 82.3 t80 -62.45 -38.09 88.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.943 -0.571 . . . . 73.43 110.83 179.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -62.75 -41.35 99.16 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-N 116.32 -0.4 . . . . 73.31 110.957 -179.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 59.2 t -71.97 -44.34 66.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 115.979 -0.555 . . . . 72.4 110.435 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.5 tmtt? -60.01 -38.82 83.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.985 -0.552 . . . . 60.15 111.061 178.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.475 ' O ' HD13 ' A' ' 68' ' ' LEU . 86.0 tttt -67.33 -31.09 71.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.932 0.396 . . . . 74.3 110.382 178.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -73.76 -34.77 64.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.94 0.4 . . . . 73.22 110.456 175.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.432 ' HB2' HD13 ' A' ' 109' ' ' ILE . 47.1 t -56.66 -52.09 66.24 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.461 -0.79 . . . . 65.11 111.258 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -66.0 -35.12 79.71 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.254 -0.43 . . . . 65.4 111.506 -177.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.475 HD13 ' O ' ' A' ' 64' ' ' LYS . 9.9 mp -69.4 -25.41 64.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.047 0.451 . . . . 73.02 110.592 175.432 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.56 10.74 58.89 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 121.024 -0.608 . . . . 62.23 112.616 177.005 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.5 m -107.83 171.23 2.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-O 120.635 0.255 . . . . 75.13 110.91 -176.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -124.65 173.7 8.35 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.114 -0.493 . . . . 73.33 109.763 179.695 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.8 pp -109.75 159.08 9.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 110.102 -0.333 . . . . 74.44 110.102 175.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 18.9 ttm180 -126.76 141.39 51.84 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.168 -0.308 . . . . 63.44 110.168 178.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.813 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -115.29 139.1 43.32 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 CA-C-N 116.229 -0.441 . . . . 75.4 111.447 -175.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.743 ' HB3' ' HA ' ' A' ' 117' ' ' ALA . 98.1 mt -138.73 89.28 2.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.802 -0.635 . . . . 75.03 109.828 176.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.483 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . 0.3 OUTLIER -167.61 173.3 8.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.229 -175.131 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -88.69 -162.39 0.85 Allowed 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.262 -1.014 . . . . 75.34 108.262 173.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 86.6 m-85 59.38 82.89 0.14 Allowed 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.41 0.624 . . . . 53.44 111.819 178.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.63 ' HB2' ' HB2' ' A' ' 114' ' ' LYS . . . -94.21 -29.75 14.94 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.937 -0.574 . . . . 52.31 110.41 178.037 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.6 -22.79 68.26 Favored Glycine 0 C--N 1.331 0.28 0 CA-C-N 115.622 -0.717 . . . . 44.11 113.205 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.3 tt -66.39 -20.08 26.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.219 0.533 . . . . 75.04 111.014 -178.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -79.81 11.17 3.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.08 -0.509 . . . . 64.03 112.145 -176.136 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 35.4 p90 -65.74 -21.65 66.53 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.551 0.215 . . . . 74.14 111.047 -178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.554 ' O ' ' HA ' ' A' ' 100' ' ' ALA . 98.1 m95 -63.15 -31.99 73.27 Favored 'General case' 0 C--O 1.223 -0.327 0 CA-C-N 116.381 -0.372 . . . . 74.42 111.207 178.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -91.21 0.08 57.59 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.422 -0.353 . . . . 73.31 111.942 -174.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.586 HG23 ' H ' ' A' ' 88' ' ' GLU . 2.9 t -130.66 -31.42 1.78 Allowed 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 112.152 0.427 . . . . 61.3 112.152 -176.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.76 25.08 74.86 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.256 -0.974 . . . . 74.14 111.248 -175.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.586 ' H ' HG23 ' A' ' 86' ' ' THR . 35.3 tt0 -64.14 -35.17 79.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.128 0.49 . . . . 74.24 110.689 -177.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 15.6 m95 -90.96 165.65 13.45 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.713 -0.676 . . . . 72.25 109.847 179.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.92 144.96 47.14 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.332 -0.395 . . . . 73.34 110.155 179.385 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.628 ' CB ' ' HB ' ' A' ' 96' ' ' THR . . . -98.66 162.63 13.02 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.102 -0.499 . . . . 71.2 111.703 -175.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -85.84 104.6 15.66 Favored 'General case' 0 C--N 1.324 -0.533 0 N-CA-C 109.185 -0.672 . . . . 74.44 109.185 176.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 14.7 m120 68.14 -72.08 0.1 Allowed 'General case' 0 N--CA 1.47 0.526 0 O-C-N 123.782 0.676 . . . . 70.41 111.075 -177.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -168.01 -18.31 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.07 -0.513 . . . . 65.43 111.054 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -52.95 -51.95 59.7 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.109 -0.496 . . . . 70.12 111.736 -175.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.628 ' HB ' ' CB ' ' A' ' 91' ' ' ALA . 2.5 m -64.41 -38.69 91.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.424 -0.353 . . . . 53.52 111.414 -177.008 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.57 ' HG2' ' CB ' ' A' ' 91' ' ' ALA . 15.1 mm-40 -63.99 -47.07 81.81 Favored 'General case' 0 CA--C 1.523 -0.084 0 CA-C-O 120.706 0.289 . . . . 54.41 111.076 -178.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.45 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -59.08 -44.5 91.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.924 -0.58 . . . . 71.45 110.998 -178.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 19.1 t80 -74.72 -34.52 62.59 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.421 -0.354 . . . . 74.43 110.736 -177.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.554 ' HA ' ' O ' ' A' ' 84' ' ' TRP . . . -60.94 -41.75 96.86 Favored 'General case' 0 CA--C 1.518 -0.266 0 CA-C-N 116.212 -0.449 . . . . 73.21 111.195 179.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 97' ' ' GLN . 52.0 mtpt -68.73 -29.35 67.74 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.291 -0.413 . . . . 72.54 110.645 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 98' ' ' ALA . 95.0 mt -68.48 -41.87 79.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.412 -0.358 . . . . 74.22 110.309 177.362 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.686 ' HA ' ' CE1' ' A' ' 106' ' ' TYR . 36.8 mtt -72.67 -37.16 68.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.15 0.5 . . . . 75.33 110.691 176.32 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.584 HD22 ' HA ' ' A' ' 86' ' ' THR . 19.7 t-20 -63.32 -32.87 74.41 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.795 -0.639 . . . . 73.41 110.984 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -53.66 -47.37 70.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.632 -0.713 . . . . 72.41 111.848 -178.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.686 ' CE1' ' HA ' ' A' ' 103' ' ' MET . 17.2 p90 -103.24 17.16 24.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.024 0.44 . . . . 62.51 111.264 -177.591 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 24.8 ttp180 -71.34 150.76 44.79 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.414 -0.587 . . . . 71.23 109.414 176.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 122.96 -44.53 1.3 Allowed Glycine 0 N--CA 1.451 -0.362 0 N-CA-C 110.838 -0.905 . . . . 52.0 110.838 -176.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.432 HD13 ' HB2' ' A' ' 66' ' ' SER . 40.9 mt -71.26 -39.02 72.28 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.314 0 N-CA-C 108.562 -0.903 . . . . 71.54 108.562 171.079 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 12.2 p90 -116.03 148.08 40.56 Favored 'General case' 0 N--CA 1.444 -0.725 0 CA-C-N 114.808 -1.087 . . . . 75.32 108.6 171.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 19.1 p -159.43 167.12 29.52 Favored 'General case' 0 C--N 1.314 -0.95 0 N-CA-C 108.812 -0.81 . . . . 62.43 108.812 -178.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.462 ' HA ' HG13 ' A' ' 74' ' ' ILE . 95.8 m-85 -129.96 136.32 49.32 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.147 0.498 . . . . 72.23 111.063 177.162 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.521 ' H ' HG13 ' A' ' 74' ' ' ILE . 43.1 mm-40 -130.78 153.4 49.09 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.027 -0.988 . . . . 73.41 108.689 178.889 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.63 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . 82.2 tttt -97.75 77.39 2.53 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.378 0.609 . . . . 71.52 109.366 177.023 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.2 p -136.78 133.95 48.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.19 -0.913 . . . . 75.15 109.557 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -72.62 148.3 44.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.991 0.424 . . . . 71.14 111.303 -176.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.743 ' HA ' ' HB3' ' A' ' 75' ' ' LEU . . . -70.04 -178.29 1.57 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.74 -0.664 . . . . 70.34 111.596 -179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 26.7 t60 -47.77 -64.83 0.68 Allowed 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.7 -0.682 . . . . 71.35 110.178 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.2 t -149.62 14.2 0.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.503 -0.554 . . . . 74.32 109.503 172.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 91.05 115.72 1.9 Allowed Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.545 -0.752 . . . . 73.42 111.488 -174.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 15.7 t-20 -81.64 163.94 22.19 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.284 -0.635 . . . . 62.12 109.284 -178.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -63.17 -28.08 69.81 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.047 0.451 . . . . 71.13 110.749 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -62.6 -35.73 80.49 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.905 -0.589 . . . . 72.2 110.18 178.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -64.65 -51.21 63.76 Favored 'General case' 0 CA--C 1.519 -0.244 0 CA-C-N 116.245 -0.434 . . . . 74.44 109.956 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -60.63 -33.47 72.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.794 -0.639 . . . . 71.12 111.092 -175.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 77.0 t80 -65.6 -56.46 12.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.39 -0.368 . . . . 73.11 111.017 177.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.868 HG22 ' HB1' ' A' ' 23' ' ' ALA . 9.6 p -69.21 -30.64 46.89 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 CA-C-O 120.894 0.378 . . . . 71.33 110.583 -175.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 132' ' ' LYS . 11.2 t70 -62.71 -48.56 78.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.01 -0.541 . . . . 32.22 110.474 175.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 58.8 ttp -62.46 -38.78 91.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.034 -0.53 . . . . 53.05 110.428 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.586 ' HD2' ' HB3' ' A' ' 37' ' ' ALA . 10.1 tmtt? -60.78 -44.97 96.1 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.053 -0.521 . . . . 70.24 109.988 178.391 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -62.03 -51.35 68.34 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.026 -0.533 . . . . 71.14 111.649 -177.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.53 ' HD3' HD12 ' A' ' 137' ' ' ILE . 11.1 ptpt -67.16 -24.53 65.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.549 -0.296 . . . . 73.31 111.619 -177.03 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.59 ' HA ' HG22 ' A' ' 137' ' ' ILE . 64.9 m -63.17 -39.41 94.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 121.092 0.472 . . . . 72.15 110.245 176.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.46 -9.66 59.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.97 -0.559 . . . . 64.32 110.913 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.587 HD21 ' HB2' ' A' ' 21' ' ' ALA . 94.8 mt -99.29 5.82 46.43 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.075 -0.511 . . . . 70.25 110.975 -177.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.08 25.83 33.0 Favored Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 119.963 -1.113 . . . . 64.23 113.518 174.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.59 HG22 ' HA ' ' A' ' 133' ' ' SER . 13.8 tt -57.0 141.13 14.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 117.142 0.471 . . . . 71.22 110.577 177.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -90.2 111.57 22.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.282 -0.417 . . . . 72.13 109.881 177.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -125.89 157.82 36.68 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 120.903 0.382 . . . . 73.51 110.05 178.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 24.2 tp -92.37 -14.21 29.03 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.005 -0.543 . . . . 74.24 111.17 -177.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -76.68 -37.76 55.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.799 0.333 . . . . 71.24 110.688 -175.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -85.57 88.47 7.53 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.889 -0.782 . . . . 74.42 108.889 173.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -102.31 88.3 3.26 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.07 -0.514 . . . . 71.42 110.783 -170.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 8.5 p80 -166.29 41.65 0.06 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.544 -0.753 . . . . 64.45 109.557 176.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 11.2 m170 -77.94 117.31 19.16 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.556 -0.747 . . . . 75.23 109.369 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 47.2 m170 -79.15 126.37 30.65 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.422 -0.354 . . . . 75.02 110.785 -176.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 94.9 m-70 . . . . . 0 C--O 1.244 0.777 0 CA-C-O 118.624 -0.703 . . . . 61.35 109.725 -178.863 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.5 mtt . . . . . 0 N--CA 1.481 1.118 0 N-CA-C 109.622 -0.511 . . . . 53.42 109.622 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.98 145.15 37.44 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 108.905 -0.776 . . . . 73.25 108.905 171.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 38.2 m-20 -73.96 82.21 1.7 Allowed 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 121.427 0.632 . . . . 70.52 110.519 -176.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 50.2 mtt180 -83.81 74.74 10.16 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.429 -0.805 . . . . 64.32 111.381 -177.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.545 HG23 ' HD2' ' A' ' 7' ' ' TYR . 13.0 t -169.64 141.13 2.29 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.752 -0.658 . . . . 71.44 109.719 176.594 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -91.49 102.14 14.8 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 121.582 0.706 . . . . 74.52 110.048 178.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.545 ' HD2' HG23 ' A' ' 5' ' ' THR . 46.9 p90 -117.52 169.57 9.43 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.704 -0.68 . . . . 74.11 111.039 -175.522 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.445 ' O ' HG13 ' A' ' 27' ' ' VAL . 8.7 m-20 -100.66 132.54 46.0 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.704 -0.68 . . . . 70.34 109.696 179.123 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 50.3 t -96.74 111.22 26.3 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 N-CA-C 109.275 -0.639 . . . . 71.33 109.275 176.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 6.7 m-85 -86.34 145.27 26.96 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.901 0.381 . . . . 65.32 111.943 -172.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.673 ' HA ' HG11 ' A' ' 127' ' ' VAL . 8.8 t -175.06 175.13 2.34 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.639 -0.71 . . . . 74.54 110.274 176.146 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -142.11 87.08 2.01 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.412 -0.588 . . . . 70.14 109.412 176.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -79.33 61.51 4.17 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.931 -0.652 . . . . 62.3 112.423 -179.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 49.3 m -112.6 117.06 31.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.956 0.408 . . . . 64.32 110.768 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -77.26 163.24 26.69 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.868 -0.605 . . . . 74.15 109.932 175.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -168.77 146.79 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.708 0.289 . . . . 73.41 110.906 -179.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 64.03 27.97 14.27 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 121.839 0.828 . . . . 71.13 110.783 173.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.58 6.97 85.35 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.42 -0.809 . . . . 45.42 112.801 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -117.85 151.31 37.62 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 110.019 -0.363 . . . . 74.42 110.019 179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 31.2 p90 -137.82 145.84 42.77 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.206 -0.452 . . . . 60.23 110.815 -177.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -149.93 154.5 38.39 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.737 -0.665 . . . . 71.31 109.651 178.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 52.1 p-90 -113.06 130.6 56.11 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.293 0.568 . . . . 75.0 109.91 177.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -130.82 153.61 48.91 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 115.636 -0.711 . . . . 42.43 109.645 -178.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -147.41 137.92 23.33 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.911 0.386 . . . . 71.05 110.729 176.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -119.27 107.83 13.89 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.48 -0.782 . . . . 60.33 109.374 175.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.585 ' HZ ' HD13 ' A' ' 55' ' ' ILE . 87.1 m-85 -83.75 96.99 8.9 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 121.405 0.621 . . . . 74.12 109.69 -177.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.668 ' HB ' HG22 ' A' ' 32' ' ' VAL . 1.7 p -109.0 111.23 35.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.019 -0.992 . . . . 74.03 110.79 -178.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -118.62 148.98 42.14 Favored 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.24 -1.022 . . . . 71.53 108.24 178.348 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.689 ' HB3' ' HE2' ' A' ' 31' ' ' LYS . 32.0 t70 67.84 7.23 5.6 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-O 121.649 0.738 . . . . 64.14 111.156 173.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.4 7.99 56.6 Favored Glycine 0 N--CA 1.448 -0.555 0 C-N-CA 120.716 -0.754 . . . . 73.45 113.028 178.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.689 ' HE2' ' HB3' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -142.21 150.0 40.41 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 117.101 0.451 . . . . 74.41 111.586 176.35 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.668 HG22 ' HB ' ' A' ' 27' ' ' VAL . 40.0 t -82.4 120.98 34.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-N 116.0 -0.545 . . . . 63.21 110.557 -174.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 77.6 t60 -85.65 -31.46 22.53 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.884 -0.598 . . . . 73.43 110.351 -178.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.3 t80 -161.17 140.09 10.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.993 -0.549 . . . . 74.41 109.838 177.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.22 138.35 22.6 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.295 -0.412 . . . . 72.41 110.273 179.127 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.454 ' HB3' HG22 ' A' ' 51' ' ' VAL . 5.0 t70 -167.42 171.76 10.24 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.464 -0.334 . . . . 74.54 110.273 177.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -139.59 139.52 36.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.221 -0.445 . . . . 64.23 110.514 -176.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -136.85 173.38 11.76 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.376 -0.601 . . . . 74.11 109.376 179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 24.3 m -106.75 163.35 5.04 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 O-C-N 122.277 -0.265 . . . . 61.33 111.161 -175.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -57.28 122.6 29.69 Favored Glycine 0 C--N 1.334 0.429 0 N-CA-C 110.587 -1.005 . . . . 74.45 110.587 173.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 11.7 ptmt -139.24 -168.44 2.45 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-O 121.763 0.792 . . . . 73.33 112.393 -165.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.624 HD21 ' HD2' ' A' ' 90' ' ' LYS . 1.6 t30 -113.59 153.6 45.78 Favored Pre-proline 0 C--N 1.318 -0.782 0 CA-C-N 114.818 -1.083 . . . . 71.13 110.294 -178.128 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 27.5 Cg_endo -62.07 -19.0 64.82 Favored 'Trans proline' 0 C--N 1.345 0.389 0 C-N-CA 122.868 2.379 . . . . 72.45 112.435 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.42 -13.86 62.59 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.945 0.402 . . . . 60.11 111.081 178.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -86.5 5.61 34.52 Favored 'General case' 0 C--O 1.235 0.336 0 CA-C-N 116.215 -0.448 . . . . 51.32 111.003 178.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.539 ' O ' ' HG3' ' A' ' 49' ' ' ARG . . . -65.09 -16.54 63.59 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.126 -0.488 . . . . 71.44 110.91 178.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 10.6 p -62.86 -39.41 94.33 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.225 0.536 . . . . 64.43 110.881 176.183 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.433 ' O ' ' HB2' ' A' ' 49' ' ' ARG . 69.7 mtm -92.15 -45.36 8.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.852 -0.613 . . . . 64.12 110.963 -179.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.539 ' HG3' ' O ' ' A' ' 46' ' ' ALA . 96.3 mtt180 71.16 -63.81 0.41 Allowed 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.649 0.611 . . . . 73.15 112.649 178.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 38.4 t30 60.62 -88.51 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 123.598 0.759 . . . . 73.25 110.841 -172.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.454 HG22 ' HB3' ' A' ' 36' ' ' ASP . 21.3 t -76.92 -31.08 18.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.12 0.486 . . . . 42.03 110.882 178.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.499 ' HA ' ' HB ' ' A' ' 55' ' ' ILE . . . -62.0 -17.34 56.84 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-N 115.598 -0.728 . . . . 60.55 112.815 -171.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -65.73 -53.2 32.61 Favored Glycine 0 N--CA 1.453 -0.214 0 C-N-CA 120.505 -0.855 . . . . 62.02 111.754 177.36 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -71.3 -29.1 64.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.719 0.295 . . . . 43.5 110.497 177.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.585 HD13 ' HZ ' ' A' ' 26' ' ' PHE . 34.7 mm -60.68 -41.22 87.4 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.173 0 CA-C-N 116.199 -0.455 . . . . 65.23 110.541 176.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -59.88 -41.34 91.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.036 0.446 . . . . 54.35 110.713 178.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -69.16 -31.59 70.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.028 -0.533 . . . . 75.14 110.689 179.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -68.69 -33.06 73.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.048 -0.524 . . . . 64.32 110.812 179.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.4 tp -63.2 -40.12 96.59 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.033 0.444 . . . . 75.31 110.435 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.93 ' HA ' ' HG2' ' A' ' 63' ' ' LYS . 41.0 m-85 -71.16 -26.14 62.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.076 -0.511 . . . . 74.14 110.848 176.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.14 -41.95 80.87 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.663 -0.495 . . . . 71.14 109.663 173.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 58' ' ' ALA . 93.3 t -61.86 -50.38 80.4 Favored 'Isoleucine or valine' 0 C--O 1.234 0.285 0 CA-C-N 115.704 -0.68 . . . . 73.53 110.807 176.222 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.93 ' HG2' ' HA ' ' A' ' 60' ' ' TYR . 0.0 OUTLIER -65.03 -28.45 69.5 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.119 -0.491 . . . . 71.31 110.74 -179.184 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.406 ' HB2' ' O ' ' A' ' 60' ' ' TYR . 44.8 tptt -74.44 -46.08 42.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.441 -0.345 . . . . 51.22 110.172 178.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -59.34 -37.78 78.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.788 -0.642 . . . . 52.44 111.225 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.7 t -60.05 -40.54 89.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.339 -0.391 . . . . 52.24 110.358 178.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 67.1 mt-30 -73.88 -34.3 64.39 Favored 'General case' 0 N--CA 1.451 -0.379 0 CA-C-O 120.953 0.406 . . . . 60.41 110.741 178.754 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 23.5 tp -76.45 -25.07 53.99 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.147 -0.479 . . . . 75.01 111.156 -176.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 92.84 14.87 54.36 Favored Glycine 0 N--CA 1.448 -0.509 0 C-N-CA 120.88 -0.676 . . . . 74.34 112.017 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 35.4 m -112.43 170.16 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-O 120.675 0.274 . . . . 73.11 110.506 -178.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -146.86 165.58 29.3 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.42 -0.355 . . . . 71.32 110.292 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.44 ' O ' ' HA ' ' A' ' 110' ' ' TYR . 2.5 pp -129.01 172.58 15.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 N-CA-C 109.442 -0.577 . . . . 74.31 109.442 176.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.42 ' O ' ' HA ' ' A' ' 8' ' ' ASP . 72.5 mtt180 -123.86 132.11 53.7 Favored 'General case' 0 C--N 1.32 -0.687 0 C-N-CA 120.892 -0.323 . . . . 72.31 110.146 -177.744 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.5 HG23 ' HB3' ' A' ' 112' ' ' PHE . 11.9 tt -92.08 120.62 41.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.632 0.73 . . . . 74.3 109.419 175.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.4 HD11 HG11 ' A' ' 115' ' ' VAL . 2.0 tm? -89.3 99.23 12.26 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.3 -0.864 . . . . 64.41 110.449 -170.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 44.4 t60 69.54 85.07 0.14 Allowed 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.343 -0.844 . . . . 71.33 112.673 172.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -159.59 157.95 30.75 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.473 -0.785 . . . . 71.23 109.546 170.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -160.6 -30.92 0.06 Allowed 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.595 -0.73 . . . . 73.12 109.383 -179.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -91.84 -35.54 14.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.832 -0.622 . . . . 73.33 111.344 -178.115 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -62.8 -55.54 26.32 Favored Glycine 0 C--N 1.33 0.231 0 C-N-CA 120.866 -0.683 . . . . 43.42 112.387 -176.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.408 ' H ' HG13 ' A' ' 81' ' ' ILE . 2.6 pp -65.56 -19.97 26.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-O 120.683 0.278 . . . . 70.43 111.669 177.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.29 -27.56 59.39 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 111.864 0.32 . . . . 72.5 111.864 -176.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -58.54 -49.38 77.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.049 0.452 . . . . 54.21 111.324 -178.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 5.9 m-90 -74.39 -25.39 59.46 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.334 -0.394 . . . . 63.04 110.977 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.39 -39.01 62.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.236 -0.438 . . . . 64.43 111.228 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 15.0 t -84.26 -7.97 59.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.827 0.346 . . . . 53.01 110.276 177.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 72.38 69.41 1.4 Allowed Glycine 0 N--CA 1.447 -0.611 0 CA-C-N 115.856 -0.611 . . . . 74.3 112.911 177.604 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -70.13 -15.65 62.99 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.885 0.374 . . . . 74.31 110.496 176.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -88.69 151.07 22.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.206 0.527 . . . . 73.54 110.804 -179.616 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.624 ' HD2' HD21 ' A' ' 42' ' ' ASN . 3.7 ptpt -97.86 124.88 42.46 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 109.657 -0.498 . . . . 73.52 109.657 175.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.514 ' HB1' ' O ' ' A' ' 93' ' ' ASN . . . -73.09 128.12 34.57 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.304 -0.862 . . . . 64.44 112.709 -168.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 51.9 mttp -93.42 -7.68 43.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.567 0.698 . . . . 65.41 109.275 169.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.514 ' O ' ' HB1' ' A' ' 91' ' ' ALA . 28.6 p30 -151.18 175.06 12.52 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.259 -0.882 . . . . 63.23 109.512 -179.363 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.422 ' CD ' ' H ' ' A' ' 94' ' ' GLU . 0.2 OUTLIER -81.0 -21.31 40.34 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-O 120.851 0.357 . . . . 60.2 110.378 -178.889 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -61.42 -46.62 89.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.902 -0.59 . . . . 75.43 111.156 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 3.3 p -66.48 -37.63 85.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.784 0.326 . . . . 74.13 111.585 -179.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.32 -45.9 82.46 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.104 0.478 . . . . 61.31 110.513 177.277 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.9 -32.57 69.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.889 -0.596 . . . . 64.41 111.259 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 49.7 t80 -61.36 -31.89 71.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.535 -0.302 . . . . 75.23 110.872 -178.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.37 -29.54 70.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.064 0.459 . . . . 53.02 110.361 176.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -84.03 -40.39 18.45 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.265 0.555 . . . . 71.31 109.958 178.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.2 mp -73.43 -7.93 53.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.737 -0.665 . . . . 73.43 111.412 -179.166 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.474 ' HA ' ' CE2' ' A' ' 106' ' ' TYR . 1.6 tmt? -58.98 -42.33 89.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.111 0.481 . . . . 75.42 110.038 176.315 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.59 ' HA ' ' HG3' ' A' ' 107' ' ' ARG . 66.1 t30 -68.56 -28.81 67.29 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.561 -0.745 . . . . 62.55 110.682 -179.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.72 -47.39 85.47 Favored 'General case' 0 N--CA 1.451 -0.393 0 CA-C-N 115.516 -0.766 . . . . 60.14 111.558 -178.41 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.474 ' CE2' ' HA ' ' A' ' 103' ' ' MET . 13.3 p90 -90.62 14.8 12.31 Favored 'General case' 0 C--O 1.234 0.288 0 C-N-CA 120.344 -0.542 . . . . 64.41 112.383 -174.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.59 ' HG3' ' HA ' ' A' ' 104' ' ' ASN . 15.2 mtm180 -72.49 117.83 14.64 Favored 'General case' 0 N--CA 1.448 -0.529 0 N-CA-C 108.934 -0.765 . . . . 55.24 108.934 172.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 158.47 -30.18 0.46 Allowed Glycine 0 N--CA 1.449 -0.455 0 N-CA-C 110.758 -0.937 . . . . 72.12 110.758 -173.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.416 ' N ' HD12 ' A' ' 109' ' ' ILE . 3.6 mp -73.19 -27.02 23.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 108.539 -0.911 . . . . 64.43 108.539 170.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.44 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 29.1 p90 -149.3 146.14 27.4 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-N 115.363 -0.835 . . . . 74.21 109.667 174.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.5 t -142.44 162.41 35.55 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 108.818 -0.808 . . . . 73.14 108.818 174.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.5 ' HB3' HG23 ' A' ' 74' ' ' ILE . 41.5 p90 -113.06 138.41 49.96 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.949 0.404 . . . . 74.21 110.628 -178.154 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -133.8 150.92 51.44 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.873 -0.603 . . . . 72.03 109.554 178.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -81.12 113.44 19.29 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-O 121.562 0.696 . . . . 63.31 111.482 -174.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.4 HG11 HD11 ' A' ' 75' ' ' LEU . 13.6 p -100.08 153.76 4.48 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.179 -0.918 . . . . 71.12 109.682 179.662 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.656 ' H ' ' HD2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -100.18 155.4 17.77 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.451 -0.574 . . . . 72.3 109.451 175.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -132.36 110.94 10.92 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-O 120.735 0.302 . . . . 63.21 110.756 -178.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -64.66 -39.32 93.48 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.122 -0.49 . . . . 72.01 109.757 177.395 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.3 p -146.57 -31.29 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.78 -0.646 . . . . 62.25 110.794 177.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 106.49 127.92 5.93 Favored Glycine 0 N--CA 1.446 -0.635 0 N-CA-C 111.378 -0.689 . . . . 65.4 111.378 -178.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -75.68 161.53 29.01 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.856 0.36 . . . . 73.15 111.105 -178.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -58.45 -32.22 68.52 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 115.947 -0.57 . . . . 74.53 110.706 179.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 84.9 m-85 -65.84 -33.48 75.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.637 -0.71 . . . . 74.32 110.734 179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -74.12 -40.53 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 109.798 -0.445 . . . . 52.51 109.798 178.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.57 -34.38 75.5 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.969 -0.56 . . . . 71.1 111.367 178.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -61.26 -51.33 69.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.996 -0.547 . . . . 74.45 110.604 -178.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.673 HG11 ' HA ' ' A' ' 11' ' ' THR . 9.2 p -75.75 -31.08 22.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 71.14 110.427 -179.665 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -55.49 -52.98 61.84 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 115.674 -0.693 . . . . 74.1 110.331 175.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 41.1 ttp -59.61 -44.82 93.28 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.345 -0.843 . . . . 64.31 111.096 179.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 32.8 mmtt -53.71 -53.04 57.72 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.397 0.518 . . . . 73.24 112.397 -174.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.2 -46.24 61.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.11 0.481 . . . . 71.15 111.771 -175.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -76.1 -27.41 57.12 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 112.507 0.558 . . . . 75.42 112.507 -171.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 74.1 p -73.65 -31.11 63.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.135 0.493 . . . . 62.11 109.991 174.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.44 -15.03 61.35 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 115.749 -0.659 . . . . 74.2 110.921 178.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 91.1 mt -95.1 -3.61 47.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.183 -0.462 . . . . 70.35 110.121 177.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 83.43 24.77 49.83 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.512 -0.852 . . . . 54.43 112.668 178.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 74.7 mt -88.39 121.7 39.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 120.878 0.37 . . . . 53.34 110.911 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' A' ' 138' ' ' ARG . 2.9 mpt_? -100.95 -164.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.05 -0.523 . . . . 75.41 109.681 178.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.488 ' OD1' ' HB3' ' A' ' 141' ' ' GLU . 4.7 p-10 -66.09 149.13 50.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.166 0.508 . . . . 74.32 111.038 -179.645 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 87.0 mt -79.52 2.2 22.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.752 -0.658 . . . . 65.54 112.085 -173.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.488 ' HB3' ' OD1' ' A' ' 139' ' ' ASP . 42.6 tt0 -70.08 -28.63 65.58 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.416 -0.587 . . . . 74.11 109.416 176.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -88.98 89.47 8.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.834 -0.621 . . . . 72.11 109.796 173.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 30.4 t-80 -119.74 -47.74 2.4 Favored 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.537 -0.912 . . . . 71.23 108.537 177.352 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 29.5 t60 61.25 -78.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 114.705 -1.134 . . . . 62.24 111.595 177.094 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 30.6 t60 -168.62 -26.93 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 111.322 0.119 . . . . 72.21 111.322 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 28.1 p80 49.28 -169.14 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.97 0.908 . . . . 75.33 111.336 -172.316 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 37.4 t-80 . . . . . 0 C--O 1.244 0.806 0 CA-C-O 117.932 -1.033 . . . . 73.15 109.041 173.665 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.4 mtt . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 110.459 -0.2 . . . . 61.34 110.459 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -137.45 91.32 2.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.309 0.576 . . . . 62.25 110.511 177.227 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -101.72 14.19 32.68 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.301 -0.863 . . . . 72.51 109.443 177.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.4 mtm180 -81.85 -14.52 56.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.036 -0.983 . . . . 72.14 111.179 -176.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.5 p -109.7 96.75 6.47 Favored 'General case' 0 C--N 1.314 -0.96 0 CA-C-N 115.733 -0.667 . . . . 74.41 111.68 -177.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 62.43 107.82 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.251 -0.886 . . . . 74.43 112.471 176.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.491 ' HE1' ' HE2' ' A' ' 28' ' ' LYS . 50.7 m-85 -75.52 130.95 39.69 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.624 -0.509 . . . . 72.43 109.624 173.417 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -104.3 149.78 25.03 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.015 -0.539 . . . . 75.43 110.651 -172.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.636 ' HB ' HD11 ' A' ' 74' ' ' ILE . 59.7 t -126.8 111.87 27.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.368 -0.378 . . . . 74.4 110.027 177.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 m-30 -106.91 110.45 22.61 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.97 0.414 . . . . 73.14 110.117 177.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.586 HG23 HG11 ' A' ' 127' ' ' VAL . 44.7 m -168.15 127.61 1.25 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.419 -0.81 . . . . 72.25 109.155 -178.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -95.15 -78.71 0.44 Allowed 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.529 -0.915 . . . . 65.24 108.529 170.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 74.62 130.82 0.23 Allowed Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.844 -0.694 . . . . 72.34 113.037 173.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.5 m -144.84 112.66 6.31 Favored 'General case' 0 C--N 1.317 -0.813 0 O-C-N 122.043 -0.681 . . . . 75.21 111.8 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.421 ' HB2' ' HA ' ' A' ' 20' ' ' TYR . 30.3 p90 -75.3 140.02 42.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.351 -0.981 . . . . 61.51 108.351 170.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.2 p -154.66 155.55 5.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 C-N-CA 120.83 -0.348 . . . . 75.31 110.786 -171.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 21.3 m120 64.05 28.3 14.27 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.795 -0.639 . . . . 74.42 110.838 178.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.12 -16.66 36.95 Favored Glycine 0 N--CA 1.448 -0.53 0 CA-C-N 115.718 -0.674 . . . . 63.43 112.497 179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.767 ' HB3' HD22 ' A' ' 135' ' ' LEU . 17.6 mm-40 -80.48 126.44 31.21 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 110.039 -0.356 . . . . 75.32 110.039 -179.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.421 ' HA ' ' HB2' ' A' ' 15' ' ' TYR . 41.3 p90 -120.96 153.44 37.28 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.399 -0.364 . . . . 63.33 110.169 -178.58 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.25 166.86 32.24 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.212 -0.449 . . . . 75.21 110.24 -179.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.541 ' O ' ' HA ' ' A' ' 37' ' ' ALA . 61.4 p-90 -111.17 130.37 55.66 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.435 -0.58 . . . . 74.45 109.435 173.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.622 ' HB1' HG22 ' A' ' 127' ' ' VAL . . . -132.76 136.43 46.33 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.824 -0.626 . . . . 50.4 110.286 -176.209 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.0 m-85 -142.21 138.63 31.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.294 -0.412 . . . . 75.22 110.746 179.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -132.32 105.25 7.19 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.781 -0.645 . . . . 73.4 109.499 172.497 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -87.68 110.96 20.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.154 -0.476 . . . . 74.32 110.545 -175.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.513 ' HB ' HG22 ' A' ' 32' ' ' VAL . 4.3 p -116.78 123.56 71.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-O 121.622 0.725 . . . . 74.22 111.162 -177.512 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.491 ' HE2' ' HE1' ' A' ' 7' ' ' TYR . 15.5 ptpt -127.93 132.72 49.24 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.772 -0.649 . . . . 72.41 109.502 176.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.3 t70 65.66 11.85 7.82 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-O 121.458 0.647 . . . . 65.22 110.287 178.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.49 2.25 63.64 Favored Glycine 0 N--CA 1.45 -0.396 0 CA-C-N 115.875 -0.602 . . . . 74.01 112.124 -177.59 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.11 141.23 47.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.03 0.443 . . . . 62.15 110.28 -178.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.513 HG22 ' HB ' ' A' ' 27' ' ' VAL . 76.8 t -108.15 120.96 60.43 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.933 0 CA-C-N 115.961 -0.563 . . . . 32.31 110.028 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -110.01 -18.47 13.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.318 -0.401 . . . . 73.34 110.874 -178.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -137.69 138.7 39.65 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 110.034 -0.358 . . . . 72.11 110.034 -179.171 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -167.14 148.28 5.74 Favored 'General case' 0 C--N 1.329 -0.301 0 O-C-N 123.342 0.401 . . . . 64.12 110.445 177.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -175.81 171.53 2.65 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 109.861 -0.422 . . . . 71.41 109.861 173.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.541 ' HA ' ' O ' ' A' ' 22' ' ' TRP . . . -157.16 109.56 2.46 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.583 -0.735 . . . . 64.42 109.299 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -132.14 173.51 11.16 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.738 0.304 . . . . 72.34 110.385 -174.833 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.7 m -103.31 130.48 53.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.084 0.468 . . . . 71.25 110.833 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.51 111.78 0.36 Allowed Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.739 -0.743 . . . . 63.25 112.562 179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -108.66 101.66 10.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.094 0.473 . . . . 55.51 109.958 178.141 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -147.53 144.42 19.37 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 115.67 -0.695 . . . . 74.11 109.679 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 79.5 Cg_exo -49.62 -54.13 5.95 Favored 'Trans proline' 0 C--N 1.346 0.429 0 C-N-CA 123.271 2.647 . . . . 64.13 113.368 -177.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -67.16 -27.87 67.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.94 0.4 . . . . 72.31 111.445 -178.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' ' 49' ' ' ARG . . . -74.01 -32.71 63.5 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.074 0.464 . . . . 54.21 110.402 179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.83 -16.44 61.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.023 -0.535 . . . . 43.05 111.348 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 14.8 m -72.24 -37.09 69.23 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.896 0.379 . . . . 63.33 111.569 -179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 68.5 mtm -76.01 -47.23 25.64 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.989 0.423 . . . . 53.25 110.982 -176.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.408 ' HG2' ' O ' ' A' ' 45' ' ' ALA . 4.7 ptp85 -73.75 136.69 43.67 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.189 -0.46 . . . . 72.02 110.21 175.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -80.19 19.51 0.74 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.983 0.421 . . . . 74.2 111.773 -174.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 32.8 t -68.63 -27.99 38.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 121.425 0.631 . . . . 70.33 109.387 171.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.524 ' HA ' HG12 ' A' ' 55' ' ' ILE . . . -53.3 -29.88 35.83 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-N 114.92 -1.036 . . . . 73.02 112.29 -177.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -64.47 -47.31 85.52 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.54 -0.838 . . . . 73.44 112.146 178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -67.59 -46.14 73.47 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.702 0.287 . . . . 55.4 111.322 -178.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.524 HG12 ' HA ' ' A' ' 52' ' ' ALA . 40.0 pt -66.81 -32.56 58.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 C-N-CA 121.028 -0.269 . . . . 43.35 111.497 -177.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.16 -39.87 93.53 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.881 0.372 . . . . 52.0 110.719 176.462 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.8 -33.74 68.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 73.14 110.644 179.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.5 -27.46 61.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.11 -0.495 . . . . 74.11 110.569 177.576 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 28.7 tp -65.46 -31.47 72.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.778 -0.646 . . . . 60.43 110.718 179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 32.3 t80 -66.45 -26.82 67.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.15 -0.477 . . . . 70.23 110.58 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.82 -36.59 82.71 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.822 -0.436 . . . . 61.22 109.822 175.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.484 HG13 HG12 ' A' ' 109' ' ' ILE . 93.0 t -65.33 -37.77 80.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.594 -0.73 . . . . 74.25 109.949 175.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 11.9 tmtt? -66.31 -36.79 83.84 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.361 -0.836 . . . . 75.4 110.095 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -75.9 -47.99 23.12 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.546 -0.297 . . . . 73.31 111.605 177.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.401 ' HB3' HG13 ' A' ' 109' ' ' ILE . . . -58.27 -32.47 68.42 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 112.282 0.475 . . . . 75.32 112.282 -173.69 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 p -65.43 -27.98 68.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.69 0.281 . . . . 64.32 111.208 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -83.12 -33.36 26.33 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.437 -0.347 . . . . 62.03 110.875 178.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.0 mp -76.04 -24.91 55.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 74.52 110.536 179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 95.84 1.72 61.53 Favored Glycine 0 N--CA 1.448 -0.556 0 C-N-CA 120.89 -0.671 . . . . 72.0 112.37 176.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 16.1 m -97.08 145.28 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.058 0.456 . . . . 62.13 111.067 -178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.765 ' HA ' HG23 ' A' ' 109' ' ' ILE . 9.1 mptt -132.09 -177.09 4.29 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.96 -0.756 . . . . 64.03 108.96 178.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.779 HG12 ' HA ' ' A' ' 110' ' ' TYR . 1.7 pp -108.58 152.36 10.55 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.207 -1.034 . . . . 65.12 108.207 171.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -135.1 101.52 4.9 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-O 121.302 0.572 . . . . 63.1 111.85 179.228 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.636 HD11 ' HB ' ' A' ' 9' ' ' VAL . 47.5 mm -86.12 118.0 31.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 108.669 -0.863 . . . . 71.15 108.669 170.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -63.48 112.88 2.96 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.18 0.514 . . . . 64.11 110.878 -178.163 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -145.1 170.72 15.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.63 -0.714 . . . . 73.33 109.976 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -75.53 156.71 34.83 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.137 -0.483 . . . . 71.12 109.964 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 93.0 m-85 62.78 58.41 1.57 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.435 0.635 . . . . 70.34 110.635 -175.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.15 -35.69 12.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.977 -0.556 . . . . 75.51 111.767 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -68.84 -21.0 74.89 Favored Glycine 0 CA--C 1.517 0.209 0 C-N-CA 121.349 -0.453 . . . . 51.22 113.369 -173.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.441 HD11 ' HB2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -60.15 -32.01 49.46 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-O 120.885 0.374 . . . . 75.23 110.773 -179.109 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.35 -11.45 60.49 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.501 -0.318 . . . . 44.34 111.683 -176.437 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -74.58 -32.84 62.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.066 0.46 . . . . 70.44 110.567 -178.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 55.8 m95 -74.05 -21.02 60.1 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.3 0.571 . . . . 74.01 110.242 179.777 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.768 ' HB1' ' HA ' ' A' ' 103' ' ' MET . . . -92.29 1.36 57.27 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.397 -0.819 . . . . 72.34 111.919 -177.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.6 p -51.93 -40.25 60.48 Favored 'General case' 0 N--CA 1.466 0.354 0 N-CA-C 112.825 0.676 . . . . 72.12 112.825 -174.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -113.35 -111.55 3.03 Favored Glycine 0 N--CA 1.445 -0.718 0 C-N-CA 120.49 -0.862 . . . . 63.32 111.861 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -96.75 -59.48 1.8 Allowed 'General case' 0 C--N 1.321 -0.664 0 CA-C-O 120.903 0.382 . . . . 72.31 110.044 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . 0.679 ' HA ' ' HB1' ' A' ' 100' ' ' ALA . 8.1 p-90 -167.05 120.21 0.98 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.012 -0.54 . . . . 73.44 110.85 176.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.758 ' HA ' ' HE2' ' A' ' 90' ' ' LYS . 8.0 mmpt? -89.3 117.97 28.64 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.892 -0.594 . . . . 73.45 110.733 178.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -112.27 102.73 10.87 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.821 -0.627 . . . . 65.2 111.249 179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.5 mmmm -81.84 -46.64 13.86 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.244 -0.434 . . . . 72.35 109.869 174.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 69.2 m-20 -142.62 -73.71 0.29 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.681 -0.69 . . . . 74.43 110.435 178.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -149.15 -56.96 0.2 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.918 -0.583 . . . . 74.51 110.836 -178.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 78.0 m-85 -54.36 -31.88 55.61 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 116.164 -0.471 . . . . 65.33 111.902 -176.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.646 ' HA ' ' HD2' ' A' ' 99' ' ' TYR . 5.6 p -58.75 -28.01 65.48 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 115.951 -0.568 . . . . 71.02 112.033 -179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -38.05 83.24 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-O 120.863 0.363 . . . . 74.41 110.461 179.058 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -70.02 -38.54 75.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.402 178.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.646 ' HD2' ' HA ' ' A' ' 96' ' ' THR . 73.3 m-85 -65.3 -43.42 91.15 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.816 -0.629 . . . . 75.21 110.616 177.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.679 ' HB1' ' HA ' ' A' ' 89' ' ' TRP . . . -73.48 -26.81 61.07 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.769 -0.65 . . . . 73.33 111.671 -177.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.65 -20.61 66.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.27 0.557 . . . . 74.41 110.029 177.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.621 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 84.5 mt -84.34 29.21 0.59 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.914 -0.584 . . . . 71.12 110.175 177.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.768 ' HA ' ' HB1' ' A' ' 85' ' ' ALA . 15.8 tmm? -60.39 -27.53 67.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 72.02 110.96 178.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -51.06 -45.22 61.31 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 115.626 -0.715 . . . . 74.43 111.668 -179.035 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.621 ' HG3' ' O ' ' A' ' 102' ' ' LEU . 4.7 pp0? -73.76 -18.98 60.91 Favored 'General case' 0 CA--C 1.531 0.212 0 CA-C-O 120.731 0.3 . . . . 71.13 111.522 -177.169 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 90.0 t80 -77.32 -32.73 55.49 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.26 0.553 . . . . 74.11 109.738 177.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 43.4 mtt180 -74.85 114.82 13.74 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 115.833 -0.621 . . . . 71.41 110.055 176.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 132.31 100.1 0.77 Allowed Glycine 0 N--CA 1.445 -0.701 0 N-CA-C 110.186 -1.166 . . . . 54.52 110.186 -172.335 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.765 HG23 ' HA ' ' A' ' 71' ' ' LYS . 46.2 mm -60.6 -31.52 49.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 112.45 0.537 . . . . 74.3 112.45 -171.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.779 ' HA ' HG12 ' A' ' 72' ' ' ILE . 5.3 p90 -116.27 147.89 41.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.163 0.506 . . . . 73.35 111.363 -176.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.4 t -157.27 169.07 25.58 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 108.147 -1.057 . . . . 70.52 108.147 175.418 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -156.01 137.1 13.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.019 0.438 . . . . 74.03 110.721 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -123.67 134.55 53.72 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.495 -0.775 . . . . 73.31 109.476 178.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 4.7 mppt? -85.23 106.78 16.91 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.172 0.51 . . . . 74.14 111.165 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 34.9 m -122.84 165.94 18.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 CA-C-N 115.157 -0.929 . . . . 65.44 109.062 176.182 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -43.53 137.3 2.92 Favored 'General case' 0 C--O 1.238 0.481 0 O-C-N 123.463 0.477 . . . . 72.24 111.109 179.324 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.45 142.45 5.76 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.585 -0.734 . . . . 64.21 112.517 -171.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -90.83 -54.71 3.85 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.346 -0.843 . . . . 75.44 110.604 -176.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 24.9 m -149.07 -31.75 0.23 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.639 0.607 . . . . 75.23 112.639 -175.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 78.74 62.1 2.31 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.228 -0.986 . . . . 73.14 111.625 -175.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -79.8 161.82 25.46 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.703 -0.48 . . . . 74.14 109.703 178.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -60.71 -31.31 70.61 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 112.223 0.453 . . . . 71.2 112.223 -176.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 55.2 m-85 -74.9 -32.4 61.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.529 0.68 . . . . 65.51 109.723 176.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -71.84 -47.24 54.48 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 114.932 -1.031 . . . . 72.31 110.566 -176.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -62.38 -33.77 75.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.177 -0.465 . . . . 64.4 110.789 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 35.2 t80 -61.35 -44.54 97.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.485 . . . . 75.5 111.133 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.622 HG22 ' HB1' ' A' ' 23' ' ' ALA . 14.2 p -77.3 -36.2 23.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.428 0 CA-C-N 116.552 -0.294 . . . . 72.24 111.026 -177.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.497 ' CG ' ' HZ3' ' A' ' 132' ' ' LYS . 30.9 t70 -72.02 -33.15 67.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.966 0.412 . . . . 63.25 110.952 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 54.2 ttp -61.46 -36.36 80.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.139 0.495 . . . . 73.21 110.195 176.195 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.476 ' HD3' ' O ' ' A' ' 130' ' ' LYS . 2.2 tmtp? -69.11 -42.21 76.4 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.046 -0.724 . . . . 71.43 109.046 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.536 ' O ' ' HG ' ' A' ' 135' ' ' LEU . . . -58.77 -49.78 76.39 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.024 -0.535 . . . . 44.13 111.088 178.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.497 ' HZ3' ' CG ' ' A' ' 128' ' ' ASP . 14.2 mptt -53.72 -47.41 70.59 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.801 0.334 . . . . 73.41 111.016 177.007 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 24.0 m -62.44 -39.35 93.05 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.962 -0.563 . . . . 70.43 111.07 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.0 -18.97 61.94 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.364 -0.38 . . . . 54.21 111.183 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.767 HD22 ' HB3' ' A' ' 19' ' ' GLN . 98.1 mt -91.93 -7.58 48.72 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.361 -0.381 . . . . 70.14 110.448 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.74 23.64 41.63 Favored Glycine 0 N--CA 1.448 -0.546 0 C-N-CA 120.556 -0.83 . . . . 61.54 112.093 -179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 58.8 mt -99.1 145.85 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.596 -0.52 . . . . 72.11 109.596 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.63 -177.92 6.52 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.762 0.315 . . . . 73.24 110.368 -179.869 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.584 ' OD2' ' HB2' ' A' ' 142' ' ' HIS . 2.9 p-10 -58.96 139.98 56.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.071 -0.513 . . . . 65.05 110.676 177.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -70.91 -69.07 0.39 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 113.743 1.016 . . . . 60.25 113.743 -163.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -105.79 27.01 8.9 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 112.512 0.56 . . . . 75.35 112.512 -166.503 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.584 ' HB2' ' OD2' ' A' ' 139' ' ' ASP . 31.4 m170 -94.75 163.03 13.53 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.613 -0.435 . . . . 75.23 109.942 173.758 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -82.95 53.59 2.47 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.854 -0.612 . . . . 75.01 109.438 178.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 3.6 t-160 -75.18 76.38 2.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.658 -0.701 . . . . 73.13 111.304 -172.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -135.15 146.69 49.0 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.827 -0.805 . . . . 72.11 108.827 174.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 87.3 m-70 -86.11 16.59 4.16 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.852 0.358 . . . . 72.34 111.484 -178.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 14.0 t-160 . . . . . 0 C--O 1.247 0.95 0 CA-C-O 118.265 -0.874 . . . . 72.54 109.471 174.623 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.479 1.001 0 CA-C-O 120.762 0.315 . . . . 54.11 110.929 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -144.84 136.48 25.52 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.385 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.403 ' HB2' ' HB2' ' A' ' 28' ' ' LYS . 8.1 p-10 -141.4 26.06 1.99 Allowed 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.844 -0.616 . . . . 64.12 109.674 178.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.0 mtp180 -84.55 -2.23 57.05 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.543 -0.753 . . . . 75.22 112.753 -170.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.8 p -115.68 95.84 5.33 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 113.112 0.782 . . . . 63.02 113.112 -175.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 71' ' ' LYS . 18.9 tt0 65.24 125.79 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.48 0 CA-C-N 114.977 -1.011 . . . . 72.03 112.661 170.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.487 ' HB2' HG22 ' A' ' 72' ' ' ILE . 91.1 m-85 -109.78 128.38 55.26 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.141 -0.481 . . . . 74.14 111.703 -176.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -103.87 108.68 20.1 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 108.756 -0.831 . . . . 75.02 108.756 171.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.483 ' O ' ' HD3' ' A' ' 73' ' ' ARG . 21.9 t -96.15 136.74 26.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 116.098 -0.501 . . . . 71.44 110.998 -168.222 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -93.64 172.57 8.18 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.822 0.344 . . . . 73.33 111.595 -177.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.3 m 67.71 103.71 0.05 OUTLIER 'General case' 0 C--O 1.223 -0.318 0 CA-C-N 115.092 -0.958 . . . . 75.12 111.638 -179.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -69.9 -17.34 63.34 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.247 0.546 . . . . 74.32 110.566 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 77.24 36.49 34.73 Favored Glycine 0 N--CA 1.449 -0.472 0 N-CA-C 110.732 -0.947 . . . . 65.42 110.732 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.5 p -98.41 151.82 20.15 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.992 -0.604 . . . . 70.41 111.351 -176.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.461 ' HB3' ' HD1' ' A' ' 20' ' ' TYR . 43.6 p90 -64.25 141.07 58.9 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.448 -0.575 . . . . 75.22 109.448 174.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.2 p -120.56 120.77 63.61 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.259 0.552 . . . . 64.43 111.08 -175.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.2 m120 60.76 27.63 17.39 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.59 -0.732 . . . . 45.43 111.935 175.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 99.06 -14.17 61.53 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.469 -0.872 . . . . 73.43 113.379 175.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -106.13 127.05 52.93 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 122.395 -0.473 . . . . 73.25 110.14 178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.461 ' HD1' ' HB3' ' A' ' 15' ' ' TYR . 92.2 t80 -98.31 135.29 40.14 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.993 -0.549 . . . . 60.4 111.458 -176.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.11 153.53 35.22 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.046 -0.979 . . . . 75.45 108.436 174.597 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 58.5 p-90 -95.45 130.71 42.17 Favored 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.446 -0.502 . . . . 74.12 109.746 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.692 ' HB1' HG12 ' A' ' 127' ' ' VAL . . . -142.66 149.82 39.39 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.775 -0.648 . . . . 63.43 110.966 -172.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.8 m-85 -145.62 142.74 29.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.375 -0.375 . . . . 55.4 110.399 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.883 ' HB2' HG21 ' A' ' 127' ' ' VAL . . . -135.74 102.95 5.25 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.39 -0.368 . . . . 71.4 110.784 176.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 85.5 m-85 -91.55 116.61 29.0 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.703 0.763 . . . . 75.33 110.689 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.601 ' HA ' ' HA ' ' A' ' 32' ' ' VAL . 1.8 p -118.09 142.87 30.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 114.891 -1.05 . . . . 75.43 111.057 -174.066 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.403 ' HB2' ' HB2' ' A' ' 3' ' ' ASP . 0.2 OUTLIER -137.95 135.86 36.44 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.955 -0.566 . . . . 72.31 109.879 177.556 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.5 t70 61.88 15.92 7.56 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 121.7 0.762 . . . . 71.14 111.198 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.94 -9.94 63.91 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 120.746 -0.74 . . . . 64.13 112.498 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -109.85 131.47 55.03 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.96 0.409 . . . . 72.55 110.496 179.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.601 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 7.1 p -78.81 132.65 31.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.779 0 CA-C-N 115.982 -0.554 . . . . 65.43 109.593 177.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.466 ' HB3' ' OE1' ' A' ' 54' ' ' GLU . 29.1 t-80 -77.11 -59.63 2.7 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.816 -0.439 . . . . 63.32 109.816 -178.674 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -142.5 143.39 32.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.027 -0.533 . . . . 75.34 110.561 174.031 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.772 ' HB2' HG22 ' A' ' 127' ' ' VAL . 0.0 OUTLIER -137.92 129.76 28.49 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.568 -0.742 . . . . 70.24 109.762 -178.626 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.75 ' HB3' HG22 ' A' ' 51' ' ' VAL . 2.0 t70 -157.83 171.26 20.6 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 110.131 -0.322 . . . . 71.54 110.131 -177.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -155.87 150.51 26.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.663 0.268 . . . . 72.42 110.985 -175.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -148.31 176.23 10.43 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.777 -0.453 . . . . 73.04 109.777 178.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.8 t -117.94 146.34 22.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-O 121.143 0.497 . . . . 62.31 111.133 -174.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 81.27 115.43 0.37 Allowed Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.647 -0.706 . . . . 72.04 113.244 178.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -87.51 94.06 9.6 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.957 0.408 . . . . 61.43 110.631 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 -125.59 151.29 70.24 Favored Pre-proline 0 C--N 1.325 -0.477 0 CA-C-N 115.978 -0.555 . . . . 73.41 109.924 178.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.36 -34.93 97.66 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.539 2.16 . . . . 64.4 111.89 177.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.54 -9.52 58.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.92 -0.582 . . . . 35.42 110.954 177.558 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.29 6.56 46.18 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.823 -0.626 . . . . 63.14 111.0 -178.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -49.32 -45.5 45.47 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.086 0.469 . . . . 73.32 111.398 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.648 ' HA ' ' HB2' ' A' ' 52' ' ' ALA . 29.4 m -95.43 -60.99 1.54 Allowed 'General case' 0 N--CA 1.45 -0.474 0 N-CA-C 109.467 -0.568 . . . . 71.32 109.467 172.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.546 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 2.0 tpt 66.86 -58.84 0.39 Allowed 'General case' 0 N--CA 1.468 0.429 0 C-N-CA 124.412 1.085 . . . . 72.55 112.104 173.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -126.51 -71.42 0.69 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.538 -0.301 . . . . 73.55 110.387 -178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -158.13 -9.13 0.08 Allowed 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.779 0.323 . . . . 74.42 111.808 -179.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.75 HG22 ' HB3' ' A' ' 36' ' ' ASP . 16.1 t -57.24 -29.55 32.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.546 0 N-CA-C 112.807 0.669 . . . . 63.53 112.807 -172.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.648 ' HB2' ' HA ' ' A' ' 47' ' ' THR . . . -64.92 -16.26 63.07 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 113.118 0.785 . . . . 52.22 113.118 -174.418 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.19 -53.28 46.98 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.754 -0.736 . . . . 61.12 112.432 -178.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.466 ' OE1' ' HB3' ' A' ' 33' ' ' HIS . 31.6 mm-40 -64.97 -31.76 73.15 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.779 0.323 . . . . 62.41 110.777 178.228 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 49.4 mm -58.46 -45.66 89.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 61.12 110.325 178.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.438 ' O ' ' HD1' ' A' ' 60' ' ' TYR . . . -66.44 -37.55 85.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.989 -0.55 . . . . 50.32 110.874 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -66.19 -38.8 88.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 73.35 110.91 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.44 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -70.46 -39.46 74.25 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.981 -0.554 . . . . 51.44 111.311 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.0 tp -54.45 -56.63 16.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.279 -0.418 . . . . 50.34 111.795 -177.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.438 ' HD1' ' O ' ' A' ' 56' ' ' ALA . 91.8 m-85 -67.13 -29.28 68.96 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.615 -0.266 . . . . 73.1 111.05 -177.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.24 76.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.373 -0.376 . . . . 72.43 110.404 176.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 58' ' ' ALA . 92.9 t -61.56 -38.2 79.65 Favored 'Isoleucine or valine' 0 C--O 1.234 0.256 0 CA-C-N 116.396 -0.365 . . . . 73.52 110.723 178.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -57.36 -43.24 83.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 61.15 111.331 178.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 36.6 mmtm -77.01 -34.21 57.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.738 0.304 . . . . 70.41 111.452 176.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -56.29 -27.23 54.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.791 -0.64 . . . . 32.22 112.216 -178.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.9 p -50.32 -44.09 54.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.394 -0.366 . . . . 62.44 111.823 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -73.7 -32.64 64.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.37 -0.377 . . . . 55.51 111.585 -177.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.4 mp -78.87 -25.86 43.93 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.978 0.418 . . . . 74.32 110.74 -177.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.82 44.46 56.19 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.788 -0.72 . . . . 53.33 112.485 178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.9 m -101.33 163.72 3.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 N-CA-C 110.317 -0.253 . . . . 74.21 110.317 178.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.45 ' HE3' ' HB3' ' A' ' 71' ' ' LYS . 0.6 OUTLIER -116.81 133.89 55.45 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.749 0.309 . . . . 74.44 110.729 -176.484 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.487 HG22 ' HB2' ' A' ' 7' ' ' TYR . 1.4 pp -119.58 151.32 22.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 N-CA-C 109.799 -0.445 . . . . 63.32 109.799 173.244 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.483 ' HD3' ' O ' ' A' ' 9' ' ' VAL . 61.6 ttt180 -85.13 120.51 26.71 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.501 -0.318 . . . . 74.5 111.289 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.465 HG22 ' C ' ' A' ' 111' ' ' SER . 10.8 tp -84.9 139.96 16.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 N-CA-C 107.942 -1.133 . . . . 65.22 107.942 168.541 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.483 ' H ' HD22 ' A' ' 75' ' ' LEU . 1.5 mm? -83.12 -63.9 1.27 Allowed 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 116.328 -0.396 . . . . 52.01 111.836 -168.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 7.1 p80 -142.74 -165.04 1.96 Allowed 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.263 -0.643 . . . . 74.44 109.263 -177.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -49.54 114.68 1.1 Allowed 'General case' 0 C--O 1.233 0.204 0 CA-C-O 121.38 0.609 . . . . 62.31 109.851 174.512 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 26.8 t80 -117.9 100.57 7.66 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.743 -0.662 . . . . 74.41 110.915 -173.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.34 -15.04 62.38 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.032 -0.531 . . . . 73.21 111.006 179.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -56.4 -49.9 65.98 Favored Glycine 0 N--CA 1.452 -0.271 0 CA-C-N 115.962 -0.563 . . . . 34.02 113.044 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.512 HD12 ' N ' ' A' ' 82' ' ' ALA . 2.7 pp -65.57 -26.87 40.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.903 0.383 . . . . 73.14 111.274 -178.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.512 ' N ' HD12 ' A' ' 81' ' ' ILE . . . -76.41 -38.57 55.42 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.195 -0.457 . . . . 71.24 110.124 177.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -66.91 -41.89 86.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.855 -0.612 . . . . 62.24 110.754 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 18.1 m0 -67.1 -40.1 86.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.908 0.385 . . . . 74.43 110.711 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -67.59 -22.84 65.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.149 -0.478 . . . . 33.53 111.442 -179.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 69.4 p -117.95 23.15 11.83 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.152 0.501 . . . . 64.52 110.588 -178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.13 5.84 84.03 Favored Glycine 0 N--CA 1.451 -0.311 0 CA-C-N 115.831 -0.622 . . . . 61.05 113.53 -175.14 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -93.6 -59.08 2.09 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.646 -0.501 . . . . 72.24 109.646 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 3.6 m-90 -135.3 164.99 26.49 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.04 -0.726 . . . . 74.34 109.04 173.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 20.7 ptmt -64.97 127.09 30.13 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.253 0.549 . . . . 71.51 111.31 -178.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.502 ' HA ' ' OG1' ' A' ' 96' ' ' THR . . . -105.99 137.99 42.94 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.833 -0.622 . . . . 53.12 111.152 178.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 46.9 tptt -152.06 -57.56 0.15 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.453 -0.573 . . . . 74.4 109.453 175.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 40.3 m-80 -142.43 -19.0 0.7 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 116.326 -0.397 . . . . 74.32 111.267 177.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -81.02 -164.86 0.8 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.231 0.456 . . . . 70.13 112.231 -172.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 32.4 p90 -52.32 -29.61 24.32 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.491 0.716 . . . . 70.11 112.289 -174.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.502 ' OG1' ' HA ' ' A' ' 91' ' ' ALA . 1.2 p -59.57 -28.71 67.38 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 115.97 -0.559 . . . . 62.11 112.278 -179.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.455 ' HA ' ' OE1' ' A' ' 97' ' ' GLN . 13.0 mm-40 -70.23 -34.88 73.42 Favored 'General case' 0 N--CA 1.452 -0.344 0 CA-C-O 121.173 0.511 . . . . 73.44 110.484 176.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.79 -33.48 66.3 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.862 -0.608 . . . . 74.42 109.965 175.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -64.24 -40.58 96.31 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.431 -0.804 . . . . 70.02 110.158 175.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.9 -36.28 79.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.96 -0.564 . . . . 74.14 110.377 176.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.444 ' HE3' ' HB2' ' A' ' 101' ' ' LYS . 27.9 ttmt -74.09 -16.62 61.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.796 -0.638 . . . . 63.45 110.518 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 26.2 tp -66.53 -42.06 87.83 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.352 0.596 . . . . 54.34 109.457 172.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.438 ' HA ' ' CE2' ' A' ' 106' ' ' TYR . 23.8 mmt -70.28 -33.06 71.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.538 -0.755 . . . . 73.11 109.588 176.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.658 ' O ' ' HG2' ' A' ' 107' ' ' ARG . 19.1 t-20 -64.26 -22.65 67.02 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 114.897 -1.047 . . . . 73.2 110.998 178.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.604 ' C ' HE21 ' A' ' 105' ' ' GLN . 0.0 OUTLIER -54.31 -46.71 72.87 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.61 -0.268 . . . . 73.5 110.769 177.635 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.438 ' CE2' ' HA ' ' A' ' 103' ' ' MET . 48.7 p90 -99.46 27.74 5.06 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.486 0.55 . . . . 71.03 112.486 -173.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.658 ' HG2' ' O ' ' A' ' 104' ' ' ASN . 0.5 OUTLIER -68.67 123.63 21.42 Favored 'General case' 0 N--CA 1.453 -0.292 0 N-CA-C 109.304 -0.628 . . . . 63.24 109.304 171.144 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 160.71 -28.08 0.31 Allowed Glycine 0 N--CA 1.448 -0.515 0 N-CA-C 111.079 -0.808 . . . . 63.22 111.079 -175.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 41.6 mt -60.96 -39.33 81.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 N-CA-C 109.366 -0.605 . . . . 73.41 109.366 172.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 24.0 p90 -110.34 143.7 40.18 Favored 'General case' 0 N--CA 1.445 -0.719 0 N-CA-C 109.16 -0.681 . . . . 73.31 109.16 172.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.465 ' C ' HG22 ' A' ' 74' ' ' ILE . 63.1 m -162.24 163.48 28.19 Favored 'General case' 0 C--N 1.317 -0.818 0 N-CA-C 107.591 -1.262 . . . . 75.14 107.591 176.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 42.8 p90 -101.08 136.05 41.55 Favored 'General case' 0 C--N 1.32 -0.715 0 C-N-CA 119.552 -0.859 . . . . 71.12 109.418 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 23.0 tt0 -107.17 103.77 13.24 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.218 -0.901 . . . . 73.41 108.816 -175.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.414 ' H ' ' HG2' ' A' ' 114' ' ' LYS . 9.0 pttt -77.61 78.49 4.12 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-O 121.609 0.719 . . . . 74.02 111.638 -172.703 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 27.9 m -119.43 143.13 31.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 115.08 -0.963 . . . . 71.1 109.073 175.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -81.11 89.13 5.96 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.941 0.877 . . . . 60.12 110.869 -176.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -80.64 99.34 8.1 Favored 'General case' 0 C--N 1.314 -0.973 0 CA-C-N 114.119 -1.4 . . . . 74.24 111.149 -176.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 -142.79 41.86 1.57 Allowed 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.462 -0.79 . . . . 64.55 109.323 174.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 11.4 m -73.18 -26.91 61.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.232 -0.895 . . . . 42.34 111.606 -176.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 96.7 18.38 30.28 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.611 -0.804 . . . . 34.01 111.241 -175.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -63.69 115.52 4.83 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.251 -0.475 . . . . 73.0 110.236 -179.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -62.8 -29.75 70.95 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.17 0.433 . . . . 71.45 112.17 -174.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.636 ' HA ' ' HD2' ' A' ' 126' ' ' TYR . 72.5 m-85 -66.42 -38.68 88.0 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.211 0.529 . . . . 64.2 109.857 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -72.49 -40.2 67.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.58 -0.736 . . . . 71.31 109.808 174.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -69.9 -26.26 64.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.091 -0.959 . . . . 53.44 111.587 -175.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.636 ' HD2' ' HA ' ' A' ' 123' ' ' PHE . 8.2 m-85 -49.96 -52.84 30.44 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-O 121.261 0.553 . . . . 73.41 110.703 176.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.883 HG21 ' HB2' ' A' ' 25' ' ' ALA . 2.2 t -75.23 -33.13 27.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.209 -0.905 . . . . 70.22 111.231 -171.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.68 -43.0 94.19 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 121.139 0.495 . . . . 75.51 109.789 175.551 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 59.7 ttp -70.43 -37.27 74.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.686 -0.688 . . . . 52.1 110.883 179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.525 ' HG3' ' O ' ' A' ' 126' ' ' TYR . 87.4 mttt -64.82 -31.47 72.72 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.515 -0.311 . . . . 74.24 111.193 179.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.92 -38.16 84.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.995 0.426 . . . . 65.34 110.183 176.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -65.75 -48.18 72.73 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.817 -0.629 . . . . 71.43 110.619 179.114 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.4 p -64.85 -28.99 69.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.164 -0.471 . . . . 65.41 111.193 179.71 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.0 -23.29 66.54 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-N 116.337 -0.392 . . . . 73.1 111.838 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.49 HD13 ' HA ' ' A' ' 135' ' ' LEU . 3.7 mm? -90.25 -1.47 57.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.233 0.539 . . . . 74.12 110.171 177.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 86.9 23.15 42.81 Favored Glycine 0 N--CA 1.442 -0.942 0 C-N-CA 120.737 -0.744 . . . . 73.4 113.087 176.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.0 mm -66.92 114.24 3.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 N-CA-C 109.752 -0.462 . . . . 64.14 109.752 176.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 30.7 mtp85 58.21 54.18 5.99 Favored 'General case' 0 C--O 1.234 0.256 0 O-C-N 123.731 0.644 . . . . 72.41 110.886 -175.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -128.84 143.62 50.95 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.774 -0.648 . . . . 72.53 109.785 179.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 10.3 tt -67.74 -30.48 69.96 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.495 -0.32 . . . . 74.11 110.966 -178.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -80.9 -9.83 59.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.727 0.299 . . . . 41.44 111.471 -176.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 53.3 t-80 -96.0 112.49 24.21 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.211 -0.663 . . . . 72.43 109.211 175.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 81.1 m-70 -107.64 -175.71 2.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.996 0.426 . . . . 74.02 110.782 -173.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -97.74 172.13 7.89 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 108.671 -0.863 . . . . 74.44 108.671 173.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 32.4 p-80 -73.32 114.72 11.85 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.213 0.53 . . . . 74.52 110.229 -178.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -133.24 81.13 1.92 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.553 -0.536 . . . . 73.52 109.553 177.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 41.3 m-70 . . . . . 0 C--O 1.244 0.81 0 CA-C-N 115.763 -0.653 . . . . 72.43 109.305 179.07 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptm . . . . . 0 N--CA 1.478 0.938 0 N-CA-C 109.857 -0.423 . . . . 72.12 109.857 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.4 t70 62.11 29.03 17.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.973 0.892 . . . . 52.51 110.357 -175.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -83.42 66.34 8.81 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.038 -0.983 . . . . 63.23 109.259 175.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.9 ptt180 -100.47 1.95 41.64 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.757 -1.11 . . . . 73.54 111.252 -173.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 6' ' ' GLU . 6.0 p -122.94 113.4 19.04 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.147 -0.478 . . . . 75.3 110.502 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 5' ' ' THR . 0.5 OUTLIER 44.42 -163.96 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 124.03 0.932 . . . . 62.23 112.393 -176.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -138.6 157.41 46.19 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.273 -0.421 . . . . 73.25 110.191 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.499 ' HB2' HG13 ' A' ' 27' ' ' VAL . 10.4 m-20 -82.96 131.27 35.19 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.534 -0.543 . . . . 71.13 109.534 175.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 40.8 t -126.14 126.02 68.84 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.98 -0.378 . . . . 63.25 109.98 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.612 ' CE2' HG11 ' A' ' 27' ' ' VAL . 21.9 m-85 -110.68 -174.32 2.45 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.582 -0.525 . . . . 71.23 109.582 175.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.6 m 74.42 86.8 0.1 Allowed 'General case' 0 C--N 1.327 -0.374 0 O-C-N 123.887 0.742 . . . . 75.22 110.293 -176.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.609 ' CG ' ' HA ' ' A' ' 117' ' ' ALA . 0.6 OUTLIER -57.49 -38.49 74.66 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-N 115.506 -0.77 . . . . 74.31 109.498 177.031 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 155.81 112.15 0.4 Allowed Glycine 0 N--CA 1.447 -0.618 0 CA-C-N 114.987 -1.006 . . . . 70.15 111.065 -177.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 12.2 m -77.34 84.04 3.78 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.905 0.383 . . . . 71.31 111.988 -174.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 16.2 p90 -145.68 145.86 31.06 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.962 -0.385 . . . . 62.22 109.962 171.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.4 ' O ' ' HG2' ' A' ' 19' ' ' GLN . 10.9 p -164.77 140.7 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.98 -0.555 . . . . 72.25 109.999 -177.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 15.5 m120 61.64 28.09 17.35 Favored 'General case' 0 N--CA 1.468 0.472 0 N-CA-C 111.95 0.352 . . . . 74.31 111.95 178.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.51 -0.44 89.26 Favored Glycine 0 CA--C 1.521 0.418 0 C-N-CA 120.777 -0.725 . . . . 62.3 113.424 177.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.738 ' HG3' HD13 ' A' ' 135' ' ' LEU . 26.5 pt20 -118.06 149.67 40.6 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.395 -0.473 . . . . 74.32 109.968 178.202 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 47.8 p90 -139.06 159.88 41.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.131 0.491 . . . . 74.34 111.472 -174.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.456 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -139.25 169.67 17.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.116 -0.947 . . . . 54.11 108.967 176.254 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.437 ' CE2' ' HB3' ' A' ' 38' ' ' ASP . 42.1 p-90 -104.62 130.49 52.62 Favored 'General case' 0 C--N 1.321 -0.672 0 C-N-CA 120.144 -0.622 . . . . 65.55 109.344 176.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.71 160.59 36.58 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.68 -0.691 . . . . 54.03 109.442 -177.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.49 ' HE2' ' HB3' ' A' ' 34' ' ' TYR . 55.4 p90 -163.64 165.3 23.52 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.991 0.424 . . . . 65.41 110.959 -179.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -145.01 102.82 3.81 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.542 -0.753 . . . . 70.44 110.109 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.438 ' HB2' ' HB2' ' A' ' 34' ' ' TYR . 38.5 m-85 -84.81 113.93 21.71 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-O 121.173 0.511 . . . . 73.41 109.975 177.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.612 HG11 ' CE2' ' A' ' 10' ' ' TYR . 4.3 p -133.67 146.59 31.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-N 115.011 -0.995 . . . . 64.1 110.548 -171.087 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 18.3 pttp -150.58 135.04 17.19 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.716 -0.476 . . . . 70.4 109.716 174.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.1 t70 69.9 6.71 5.87 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.6 0.714 . . . . 74.43 110.295 -178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.41 -3.0 61.22 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.894 -0.669 . . . . 44.14 111.79 -176.127 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -102.49 132.41 48.55 Favored 'General case' 0 CA--C 1.515 -0.388 0 N-CA-C 109.736 -0.468 . . . . 65.11 109.736 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.2 p -107.18 133.29 52.27 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.265 0 CA-C-N 115.422 -0.808 . . . . 74.35 110.399 -175.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -111.19 -33.11 6.55 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.794 -0.362 . . . . 61.24 111.509 -176.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.49 ' HB3' ' HE2' ' A' ' 24' ' ' TYR . 76.7 m-85 -114.91 139.07 50.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.537 -0.542 . . . . 71.2 109.537 -179.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -165.74 120.02 1.21 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 123.31 0.381 . . . . 65.15 110.665 -173.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -171.97 167.93 6.05 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.421 . . . . 34.13 110.432 173.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -155.52 126.42 7.01 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 115.684 -0.689 . . . . 72.31 110.277 -178.474 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.437 ' HB3' ' CE2' ' A' ' 22' ' ' TRP . 23.3 t70 -146.93 171.8 14.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.329 -0.396 . . . . 71.01 110.107 -177.697 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.705 HG23 ' HE3' ' A' ' 41' ' ' LYS . 16.7 m -84.32 150.89 3.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-O 120.735 0.302 . . . . 71.34 110.952 -179.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.79 120.91 24.18 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.956 -0.64 . . . . 63.22 112.655 -176.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.705 ' HE3' HG23 ' A' ' 39' ' ' VAL . 11.4 mmpt? -102.58 -168.42 1.52 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.999 0.428 . . . . 74.15 110.344 -179.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 76.4 m-20 -66.59 155.42 88.94 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 115.616 -0.72 . . . . 71.23 111.333 -178.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_exo -56.94 -45.0 39.28 Favored 'Trans proline' 0 C--N 1.345 0.382 0 C-N-CA 123.367 2.712 . . . . 64.51 113.12 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -79.41 -26.01 41.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.202 0.525 . . . . 74.35 110.482 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.597 ' O ' ' HB2' ' A' ' 49' ' ' ARG . . . -75.95 -3.83 37.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.779 -0.646 . . . . 75.12 110.834 178.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.73 -40.22 55.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.95 0.405 . . . . 40.34 110.242 176.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 4.9 m -85.18 -24.97 27.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.802 -0.635 . . . . 61.24 110.597 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.8 mtm -111.94 75.84 0.94 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.94 -0.573 . . . . 73.1 110.048 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.597 ' HB2' ' O ' ' A' ' 45' ' ' ALA . 26.1 ttp180 -144.15 157.56 44.23 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.502 -0.772 . . . . 72.41 109.997 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 42.9 m-80 -46.14 -44.94 16.23 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.63 0.581 . . . . 53.51 112.242 -179.224 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.497 HG12 HG13 ' A' ' 55' ' ' ILE . 25.7 t -72.12 -28.02 28.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.777 -0.647 . . . . 74.54 111.962 -174.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.89 -29.42 41.75 Favored 'General case' 0 N--CA 1.466 0.331 0 N-CA-C 112.734 0.642 . . . . 71.33 112.734 -173.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -60.53 -45.41 96.33 Favored Glycine 0 C--N 1.332 0.346 0 C-N-CA 120.67 -0.776 . . . . 64.23 112.036 178.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.6 mp0 -71.31 -40.01 71.06 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.948 0.404 . . . . 72.24 110.471 176.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.497 HG13 HG12 ' A' ' 51' ' ' VAL . 76.1 mt -59.45 -37.44 69.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.935 -0.575 . . . . 72.22 111.035 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -55.89 -39.08 71.04 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.298 -0.41 . . . . 64.34 111.252 179.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -65.35 -38.52 90.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 65.03 110.817 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.79 -36.48 65.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.952 -0.567 . . . . 52.14 110.54 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.3 tt -62.93 -37.86 88.7 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.804 -0.635 . . . . 74.33 110.28 179.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -69.35 -30.8 68.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.344 -0.389 . . . . 73.34 110.444 178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.86 -32.71 74.16 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 121.114 0.483 . . . . 72.13 109.976 175.796 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.432 HG11 ' CD1' ' A' ' 110' ' ' TYR . 86.5 t -62.71 -36.08 73.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.695 -0.684 . . . . 74.13 110.087 175.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -68.0 -36.84 80.65 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.036 -0.529 . . . . 62.43 109.969 177.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 24.7 mmtp -62.89 -37.49 87.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.989 -0.551 . . . . 73.43 111.089 176.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -61.86 -37.27 83.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.903 0.382 . . . . 62.31 110.246 175.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.558 ' HB2' HG13 ' A' ' 109' ' ' ILE . 39.0 t -65.12 -33.11 75.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.056 -0.52 . . . . 63.52 110.49 176.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -65.8 -35.53 80.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.221 -0.445 . . . . 72.21 110.909 178.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.1 mp -82.2 -25.81 33.9 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 64.14 110.706 177.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 96.48 27.31 9.96 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.933 -0.651 . . . . 70.32 112.465 178.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.8 m -121.99 167.78 15.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 N-CA-C 110.405 -0.22 . . . . 73.44 110.405 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.432 ' HA ' HG23 ' A' ' 109' ' ' ILE . 0.0 OUTLIER -147.02 -175.42 4.81 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.523 -0.547 . . . . 63.03 109.523 179.743 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 22.2 pt -107.27 151.54 9.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.714 -0.394 . . . . 70.41 110.074 176.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 5.2 ptm180 -128.24 101.63 6.33 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.283 0.564 . . . . 74.52 111.666 -179.555 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.482 HD11 ' HA ' ' A' ' 112' ' ' PHE . 45.4 pt -115.33 143.03 26.07 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.703 0 CA-C-N 115.388 -0.824 . . . . 71.41 108.881 171.646 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.587 HD12 ' H ' ' A' ' 75' ' ' LEU . 6.7 mp -47.74 111.67 0.46 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.92 0.39 . . . . 62.52 111.597 -177.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -154.58 7.27 0.29 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.986 -0.552 . . . . 63.5 110.484 179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 58.98 -171.52 0.11 Allowed 'General case' 0 C--O 1.233 0.229 0 CA-C-N 115.548 -0.751 . . . . 44.32 112.39 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 7.7 p90 -108.91 -2.93 17.97 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.224 -0.898 . . . . 75.02 111.345 -175.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -54.47 -55.16 31.76 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.332 0.493 . . . . 71.31 112.332 -173.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -64.89 -34.8 90.84 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 120.891 -0.671 . . . . 53.23 113.35 -176.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 62.0 mt -75.47 -41.73 42.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.86 0.362 . . . . 71.44 110.977 -176.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -59.59 -39.33 83.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.885 -0.598 . . . . 52.0 112.026 -175.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -42.08 95.01 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.915 0.388 . . . . 54.45 111.424 -174.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 60.7 m95 -73.88 -22.59 59.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.372 -0.376 . . . . 70.22 111.369 -179.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.08 -19.76 31.41 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.378 -0.374 . . . . 71.35 110.871 179.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 38.5 p -93.88 -38.33 11.27 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.691 0.281 . . . . 75.35 110.566 176.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 99.38 103.48 2.46 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.69 -0.767 . . . . 74.0 113.002 174.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -67.72 -39.98 84.25 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-O 121.342 0.592 . . . . 73.14 110.374 175.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -103.68 174.45 5.86 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.3 -0.864 . . . . 61.5 109.898 -175.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.466 ' HB2' ' HE3' ' A' ' 90' ' ' LYS . 45.4 mtmt -71.78 112.62 8.04 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.057 -0.72 . . . . 71.52 109.057 173.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -96.75 86.72 4.13 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 120.465 -0.494 . . . . 74.01 111.879 -172.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.522 ' HB3' ' OG1' ' A' ' 96' ' ' THR . 57.8 tptt 44.35 84.7 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 O-C-N 124.474 1.108 . . . . 51.33 112.623 172.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 63.55 13.31 7.14 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.039 -0.528 . . . . 55.11 110.749 177.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.416 ' HA ' ' HB2' ' A' ' 97' ' ' GLN . 4.0 mm-40 61.65 6.46 1.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.191 -0.913 . . . . 75.42 111.914 -176.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -72.48 -42.25 65.11 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 108.501 -0.925 . . . . 64.1 108.501 172.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.522 ' OG1' ' HB3' ' A' ' 92' ' ' LYS . 23.3 m -71.34 -28.02 63.78 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 114.886 -1.052 . . . . 70.53 110.321 178.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.416 ' HB2' ' HA ' ' A' ' 94' ' ' GLU . 0.2 OUTLIER -56.24 -48.18 77.02 Favored 'General case' 0 C--N 1.333 -0.112 0 CA-C-O 120.868 0.366 . . . . 71.31 110.686 175.368 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -71.57 -33.21 68.88 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.275 0.56 . . . . 63.05 110.559 178.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.46 ' HB3' ' HA ' ' A' ' 96' ' ' THR . 18.6 t80 -66.86 -34.44 77.81 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.633 -0.712 . . . . 74.23 110.767 179.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -54.64 -30.29 54.72 Favored 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 123.061 0.544 . . . . 53.44 111.817 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -54.56 -41.13 69.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 74.35 110.915 -179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 7.1 mp -104.17 -26.67 12.45 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.015 -0.539 . . . . 62.44 110.812 -179.428 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.659 ' O ' ' HG2' ' A' ' 107' ' ' ARG . 1.2 tmt? -67.58 -50.84 56.47 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.458 -0.337 . . . . 62.32 110.303 -176.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -74.99 -22.43 58.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.406 0.622 . . . . 75.45 109.951 -177.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -57.72 -41.05 80.99 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.081 -0.963 . . . . 64.31 111.423 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -85.33 -32.68 22.35 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.12 -0.491 . . . . 74.03 111.423 -177.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.659 ' HG2' ' O ' ' A' ' 103' ' ' MET . 15.3 mmt180 -73.34 157.69 36.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.718 0.294 . . . . 73.02 110.394 -177.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 83.51 78.45 1.08 Allowed Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.5 -0.857 . . . . 24.2 111.789 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.558 HG13 ' HB2' ' A' ' 66' ' ' SER . 48.9 mm -79.79 -29.78 13.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.217 0.532 . . . . 70.42 110.341 -179.219 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.432 ' CD1' HG11 ' A' ' 62' ' ' VAL . 1.5 p90 -140.42 147.63 39.98 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 116.13 -0.486 . . . . 70.2 110.21 178.541 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.9 m -155.75 156.93 35.69 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.902 -0.777 . . . . 62.12 108.902 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.482 ' HA ' HD11 ' A' ' 74' ' ' ILE . 85.8 m-85 -122.65 138.92 54.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.959 0.409 . . . . 64.42 110.896 179.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -137.52 148.33 45.9 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 108.241 -1.022 . . . . 75.54 108.241 175.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -95.76 91.44 6.07 Favored 'General case' 0 N--CA 1.443 -0.789 0 CA-C-O 121.325 0.583 . . . . 62.44 112.372 -171.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 41.3 t -102.52 157.96 4.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 107.465 -1.309 . . . . 71.12 107.465 170.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.416 ' O ' ' HD2' ' A' ' 118' ' ' HIS . 43.5 tttm -81.37 137.49 35.71 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 119.268 -0.973 . . . . 64.51 110.485 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.609 ' HA ' ' CG ' ' A' ' 12' ' ' ASP . . . -56.32 106.38 0.28 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.96 -0.564 . . . . 72.13 112.069 -176.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . 0.416 ' HD2' ' O ' ' A' ' 116' ' ' LYS . 13.5 p80 -143.05 7.03 1.59 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.341 -0.39 . . . . 73.34 111.573 179.07 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 71.9 m -58.42 -31.54 67.82 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 111.72 0.267 . . . . 61.21 111.72 -179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 77.31 45.51 11.25 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.609 -0.805 . . . . 52.3 112.531 177.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . 0.501 ' HB3' ' HB2' ' A' ' 124' ' ' ASN . 26.8 t-20 -116.27 146.75 42.14 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.899 -0.408 . . . . 62.52 109.899 178.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 2.9 mp0 -60.79 -46.94 88.56 Favored 'General case' 0 C--N 1.328 -0.334 0 O-C-N 123.267 0.355 . . . . 64.33 111.852 -175.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -71.38 -27.99 63.72 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.433 0.635 . . . . 71.12 109.93 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.501 ' HB2' ' HB3' ' A' ' 121' ' ' ASN . 66.8 t30 -70.13 -44.67 68.45 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.228 -0.896 . . . . 72.23 110.419 -179.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -69.35 -27.02 64.98 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.042 -0.526 . . . . 75.33 110.694 179.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.448 ' O ' ' HG2' ' A' ' 129' ' ' MET . 36.9 t80 -67.01 -42.07 85.58 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.661 -0.7 . . . . 74.44 110.952 -179.615 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 13.2 p -75.14 -29.03 21.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 C-N-CA 120.815 -0.354 . . . . 62.42 110.43 178.357 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -68.34 -45.97 71.45 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.56 -0.291 . . . . 74.35 111.037 178.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.448 ' HG2' ' O ' ' A' ' 126' ' ' TYR . 22.3 ptp -61.91 -32.66 73.07 Favored 'General case' 0 C--O 1.234 0.278 0 CA-C-O 120.91 0.386 . . . . 51.13 110.175 178.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 79.3 mttt -69.1 -43.08 75.19 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.133 -0.485 . . . . 64.04 110.289 174.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -60.95 -43.87 98.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 52.25 110.807 179.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 26.9 mttp -56.98 -50.86 71.39 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.11 0.481 . . . . 71.23 110.651 176.082 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 23.0 m -61.49 -36.91 81.8 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.691 -0.686 . . . . 72.44 111.145 -179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.49 -26.88 66.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 71.13 111.322 -179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.738 HD13 ' HG3' ' A' ' 19' ' ' GLN . 95.5 mt -87.07 -18.13 31.26 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.904 0.383 . . . . 75.15 110.544 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 106.12 23.17 7.49 Favored Glycine 0 N--CA 1.446 -0.698 0 C-N-CA 120.42 -0.895 . . . . 72.02 112.748 179.384 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 43.6 mm -78.79 138.45 20.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.869 -0.419 . . . . 74.31 109.869 176.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.797 ' HG2' ' H ' ' A' ' 139' ' ' ASP . 46.9 ttt180 70.58 -172.1 0.17 Allowed 'General case' 0 CA--C 1.536 0.41 0 O-C-N 123.661 0.6 . . . . 74.11 109.971 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.797 ' H ' ' HG2' ' A' ' 138' ' ' ARG . 30.3 t0 -75.29 164.19 26.7 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.902 0.382 . . . . 73.35 111.081 -176.651 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.61 23.19 0.43 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.978 -0.555 . . . . 70.44 112.299 -175.464 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -62.24 -25.93 68.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.112 0.482 . . . . 71.22 110.569 176.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -82.66 135.23 35.09 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.936 -0.764 . . . . 72.33 108.936 175.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 3.8 t-80 -66.5 105.66 1.55 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.788 -0.449 . . . . 60.42 109.788 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 26.6 t-80 -92.16 101.16 13.67 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 116.004 -0.543 . . . . 70.42 110.171 -174.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 44.0 p-80 -58.16 134.54 56.58 Favored 'General case' 0 C--O 1.233 0.229 0 CA-C-N 116.12 -0.491 . . . . 65.12 110.196 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -92.05 -56.86 2.91 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.666 -0.865 . . . . 70.54 108.666 179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 20.5 p-80 . . . . . 0 C--O 1.246 0.884 0 CA-C-O 118.354 -0.831 . . . . 65.22 109.779 173.958 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.2 mtt . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.716 0.294 . . . . 70.12 110.325 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -91.26 130.82 37.09 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.226 -0.657 . . . . 62.43 109.226 172.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.794 ' HB3' ' HB2' ' A' ' 29' ' ' ASP . 7.3 p-10 -116.51 10.38 14.52 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.07 -0.514 . . . . 74.2 110.668 -176.229 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 43.7 mtp180 -108.34 3.55 23.54 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.183 -0.462 . . . . 72.45 111.068 -172.054 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -106.75 100.64 10.14 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.114 -0.494 . . . . 70.54 110.616 177.629 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.54 ' HA ' ' HB ' ' A' ' 70' ' ' VAL . 31.3 mt-10 60.44 -163.97 0.24 Allowed 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 115.534 -0.757 . . . . 71.41 110.066 -174.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -118.37 163.67 16.37 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.658 0.742 . . . . 72.33 112.232 -177.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -126.54 112.19 15.25 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 114.738 -1.119 . . . . 73.44 108.736 168.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.1 t -131.1 136.59 57.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 122.323 -0.235 . . . . 74.44 110.416 -176.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 31.4 p90 -127.97 143.5 51.09 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.056 0.455 . . . . 75.51 110.968 176.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 14.1 t -147.96 21.22 1.12 Allowed 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.716 -0.846 . . . . 70.22 108.716 176.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.477 ' OD2' ' HB1' ' A' ' 117' ' ' ALA . 12.5 t70 -65.23 105.06 1.02 Allowed 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 114.899 -1.046 . . . . 74.5 110.393 -175.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -147.2 177.16 25.67 Favored Glycine 0 N--CA 1.445 -0.757 0 C-N-CA 120.849 -0.691 . . . . 75.22 112.083 -177.508 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.3 m -133.09 130.65 39.59 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.64 0.257 . . . . 72.14 110.962 -177.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.2 p90 -80.46 157.84 26.08 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.263 -0.643 . . . . 73.14 109.263 174.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 7.1 p -121.75 117.12 51.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.144 0.497 . . . . 63.05 111.154 -177.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 20.4 m120 55.9 29.48 14.24 Favored 'General case' 0 N--CA 1.468 0.44 0 CA-C-N 115.683 -0.69 . . . . 64.31 112.29 175.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.79 -15.94 62.31 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.518 -0.848 . . . . 61.13 112.625 178.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -77.61 126.27 30.63 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.424 -0.584 . . . . 71.4 109.424 176.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 10.5 p90 -134.45 147.38 50.4 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.091 0.472 . . . . 74.21 110.676 -178.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.42 136.39 43.25 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.318 -0.993 . . . . 73.44 108.318 172.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 30.4 p-90 -82.99 130.01 35.1 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.445 -0.576 . . . . 73.01 109.445 -178.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' A' ' 37' ' ' ALA . . . -166.44 135.28 2.97 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.576 -0.738 . . . . 73.02 110.159 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.4 p90 -148.04 -179.63 7.06 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.717 -0.674 . . . . 72.03 109.549 174.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.447 ' HA ' ' HA ' ' A' ' 35' ' ' GLU . . . -142.11 135.28 28.94 Favored 'General case' 0 C--N 1.314 -0.948 0 CA-C-N 116.427 -0.351 . . . . 72.31 110.115 178.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.728 ' HB2' ' HB2' ' A' ' 34' ' ' TYR . 91.6 m-85 -84.18 97.29 9.3 Favored 'General case' 0 N--CA 1.442 -0.873 0 N-CA-C 108.906 -0.775 . . . . 72.3 108.906 176.614 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.8 p -90.32 146.57 6.03 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.881 0 CA-C-N 114.759 -1.11 . . . . 73.14 108.649 178.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.608 ' CD ' ' HB2' ' A' ' 3' ' ' ASP . 1.4 tppm? -139.41 106.49 5.46 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.833 -0.432 . . . . 53.24 109.833 179.301 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.794 ' HB2' ' HB3' ' A' ' 3' ' ' ASP . 31.9 t70 67.1 22.98 9.74 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.123 -0.944 . . . . 71.23 110.199 -179.178 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.56 -5.18 62.24 Favored Glycine 0 N--CA 1.449 -0.45 0 C-N-CA 120.728 -0.749 . . . . 75.43 112.727 179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -101.52 140.07 36.31 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 109.668 -0.493 . . . . 74.11 109.668 177.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 50.1 t -98.81 110.9 27.12 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.003 0 CA-C-N 116.543 -0.299 . . . . 71.5 110.265 -178.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.3 t-80 -105.91 -24.1 12.52 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.738 -0.385 . . . . 71.45 110.851 -177.564 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.728 ' HB2' ' HB2' ' A' ' 26' ' ' PHE . 44.1 m-85 -137.75 148.56 45.7 Favored 'General case' 0 N--CA 1.464 0.259 0 N-CA-C 109.859 -0.422 . . . . 70.3 109.859 -179.427 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.447 ' HA ' ' HA ' ' A' ' 25' ' ' ALA . 1.0 OUTLIER -160.04 154.91 24.45 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.633 0.254 . . . . 73.51 110.923 178.289 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.426 ' OD2' ' HA ' ' A' ' 23' ' ' ALA . 4.6 p-10 -135.05 174.07 11.02 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.099 -0.501 . . . . 73.24 109.868 178.769 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.438 ' HA ' ' HB2' ' A' ' 23' ' ' ALA . . . 179.88 119.37 0.06 Allowed 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.848 0.717 . . . . 70.44 110.656 174.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -161.74 167.88 24.22 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.738 0.304 . . . . 75.44 110.637 175.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.7 m -92.95 -178.54 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.493 -0.322 . . . . 73.43 110.478 178.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.0 84.67 0.48 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.72 -0.752 . . . . 65.24 112.345 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 20.4 mtmm -106.41 -168.52 1.43 Allowed 'General case' 0 N--CA 1.447 -0.579 0 N-CA-C 110.017 -0.364 . . . . 73.2 110.017 178.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -95.39 154.86 39.27 Favored Pre-proline 0 C--N 1.318 -0.797 0 CA-C-N 116.263 -0.426 . . . . 71.05 110.807 -175.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.7 ' HA ' ' HB3' ' A' ' 46' ' ' ALA . 78.2 Cg_exo -52.24 -28.56 34.56 Favored 'Trans proline' 0 C--N 1.352 0.741 0 C-N-CA 123.491 2.794 . . . . 62.41 113.082 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -57.57 -41.73 81.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.131 -0.486 . . . . 45.23 110.75 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.68 -28.46 20.57 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.825 -0.625 . . . . 72.14 110.671 178.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.7 ' HB3' ' HA ' ' A' ' 43' ' ' PRO . . . -65.6 -15.46 62.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.766 -0.652 . . . . 70.45 111.266 178.531 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 87.2 m -60.59 -39.13 86.95 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 116.124 -0.489 . . . . 74.2 110.285 175.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.485 ' HB2' ' HB2' ' A' ' 52' ' ' ALA . 26.3 mmt 71.35 115.92 0.05 OUTLIER 'General case' 0 C--N 1.34 0.174 0 CA-C-O 121.559 0.695 . . . . 65.35 111.663 175.442 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -97.31 -0.28 46.79 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.93 -0.577 . . . . 71.34 110.941 176.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -124.72 -59.72 1.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.318 -0.401 . . . . 74.3 110.78 177.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 41.7 t -64.71 -29.37 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.69 -0.686 . . . . 74.42 111.552 -175.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.485 ' HB2' ' HB2' ' A' ' 48' ' ' MET . . . -63.66 -19.08 64.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 55.23 111.711 -176.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.93 -45.07 96.5 Favored Glycine 0 N--CA 1.448 -0.546 0 N-CA-C 111.04 -0.824 . . . . 54.44 111.04 174.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.518 ' HB3' ' HD1' ' A' ' 34' ' ' TYR . 10.0 mp0 -71.23 -37.93 71.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.233 0.54 . . . . 64.31 110.132 176.747 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.405 ' HB ' ' HA ' ' A' ' 52' ' ' ALA . 51.1 mm -65.07 -39.91 87.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.671 -0.695 . . . . 70.02 110.919 -178.275 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -60.32 -33.32 72.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.424 -0.353 . . . . 71.52 111.348 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -67.71 -40.21 84.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.031 0.443 . . . . 72.41 110.558 178.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -77.47 -25.09 50.18 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.078 -0.51 . . . . 52.34 111.078 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 tt -53.3 -58.57 6.62 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.126 -0.488 . . . . 74.53 110.869 -177.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.51 ' O ' ' HG2' ' A' ' 64' ' ' LYS . 29.4 m-85 -69.34 -28.28 66.09 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.451 -0.341 . . . . 63.42 111.61 -178.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.435 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . . . -63.39 -48.16 79.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 61.42 110.264 177.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.402 HG11 ' CE2' ' A' ' 110' ' ' TYR . 91.7 t -71.26 -35.49 58.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.779 -0.646 . . . . 73.45 110.724 179.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -58.43 -49.19 78.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 63.0 110.735 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.51 ' HG2' ' O ' ' A' ' 60' ' ' TYR . 57.4 pttt -75.55 -27.54 58.69 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.63 -0.259 . . . . 72.14 111.195 -179.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.455 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -53.47 -35.17 60.26 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.984 0.421 . . . . 65.04 111.13 177.45 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 36.1 t -62.01 -36.27 81.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.789 -0.642 . . . . 72.32 110.688 177.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -76.29 -38.79 55.66 Favored 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 116.385 -0.37 . . . . 75.13 110.511 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -67.29 -25.31 65.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 75.42 110.782 178.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 91.45 33.8 7.82 Favored Glycine 0 N--CA 1.448 -0.552 0 C-N-CA 121.013 -0.613 . . . . 72.23 112.546 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.54 ' HB ' ' HA ' ' A' ' 6' ' ' GLU . 18.0 m -122.74 135.51 62.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 120.871 0.367 . . . . 54.52 110.516 178.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.4 ptmt -152.67 176.36 11.84 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.073 -0.512 . . . . 72.2 110.237 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.469 HD13 HG13 ' A' ' 74' ' ' ILE . 2.1 pp -132.25 178.31 5.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.319 -0.4 . . . . 41.32 111.074 175.599 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -135.47 107.22 7.0 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.33 -0.396 . . . . 72.15 110.331 173.013 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.708 ' HB ' ' O ' ' A' ' 111' ' ' SER . 57.7 mt -89.69 125.54 42.64 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 N-CA-C 108.337 -0.986 . . . . 71.52 108.337 174.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.633 ' HG ' ' O ' ' A' ' 74' ' ' ILE . 2.0 pp 48.72 -154.46 0.09 Allowed 'General case' 0 N--CA 1.47 0.539 0 O-C-N 123.728 0.642 . . . . 63.41 111.05 -175.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 50.9 m80 -98.16 125.03 43.01 Favored 'General case' 0 C--N 1.323 -0.575 0 O-C-N 121.994 -0.441 . . . . 73.23 111.028 -177.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -61.25 136.69 58.14 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.3 -0.409 . . . . 32.44 110.513 -179.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 -100.93 -173.45 2.38 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.474 176.21 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.08 -26.05 47.93 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.37 -0.377 . . . . 45.54 111.922 -173.179 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -60.27 -36.12 90.0 Favored Glycine 0 N--CA 1.453 -0.177 0 C-N-CA 121.191 -0.528 . . . . 33.45 113.02 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.0 mm -61.33 -49.45 84.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.029 0.442 . . . . 72.24 111.371 -179.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -94.87 10.73 34.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.019 -0.537 . . . . 72.25 111.993 -178.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -56.6 -48.99 76.23 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 121.014 0.435 . . . . 71.22 111.658 -173.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 9.5 m-90 -66.51 -27.62 67.92 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 116.211 -0.449 . . . . 74.42 111.121 -177.621 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -85.76 -17.09 36.81 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.906 -0.588 . . . . 75.13 111.563 -175.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 28.2 p -81.39 -0.05 39.63 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.8 0.333 . . . . 62.44 111.466 -179.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 107.51 91.04 2.18 Favored Glycine 0 N--CA 1.446 -0.668 0 C-N-CA 120.387 -0.911 . . . . 70.43 112.981 175.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -72.61 -18.14 61.62 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.382 0.61 . . . . 74.5 109.737 173.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 51.1 t-105 -145.89 155.03 42.6 Favored 'General case' 0 N--CA 1.448 -0.53 0 N-CA-C 108.181 -1.044 . . . . 74.25 108.181 176.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -68.04 112.42 5.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.407 0.622 . . . . 74.43 110.685 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.432 ' HB1' HG23 ' A' ' 96' ' ' THR . . . -94.71 100.86 12.71 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.152 -0.931 . . . . 71.43 110.651 -177.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -137.86 36.61 2.39 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.342 0.591 . . . . 60.11 111.084 179.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -113.77 -77.28 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.748 -0.66 . . . . 54.44 109.658 178.114 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -178.53 -71.04 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.867 -0.606 . . . . 51.15 110.21 176.36 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 35.3 p90 -55.92 -39.02 71.05 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 115.892 -0.595 . . . . 75.53 112.013 -176.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.432 HG23 ' HB1' ' A' ' 91' ' ' ALA . 2.5 t -63.81 -42.51 97.67 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.287 -0.415 . . . . 61.22 111.574 -177.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -68.49 -43.13 77.53 Favored 'General case' 0 CA--C 1.519 -0.222 0 CA-C-O 120.761 0.315 . . . . 75.25 110.671 177.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.481 ' O ' ' HG ' ' A' ' 102' ' ' LEU . . . -58.63 -46.95 85.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.816 -0.629 . . . . 45.15 110.726 178.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 76.1 t80 -67.93 -35.8 79.04 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.292 -0.413 . . . . 62.31 110.847 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -63.66 -43.21 97.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.245 0.545 . . . . 51.41 110.586 178.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -67.79 -32.68 73.42 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.55 -0.75 . . . . 73.41 109.99 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.481 ' HG ' ' O ' ' A' ' 98' ' ' ALA . 90.3 mt -67.6 -41.7 83.62 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.842 -0.617 . . . . 74.11 110.307 174.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.581 ' HA ' ' CZ ' ' A' ' 106' ' ' TYR . 39.5 ttm -61.42 -37.44 83.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.26 0.552 . . . . 72.12 110.06 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.709 ' HA ' ' HG2' ' A' ' 107' ' ' ARG . 63.6 t30 -65.89 -32.16 73.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.247 -0.888 . . . . 70.23 111.048 179.098 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.97 -45.94 82.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.956 -0.565 . . . . 51.01 111.108 179.513 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.581 ' CZ ' ' HA ' ' A' ' 103' ' ' MET . 29.5 p90 -101.06 23.56 10.6 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.654 0.264 . . . . 63.44 111.67 -177.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.709 ' HG2' ' HA ' ' A' ' 104' ' ' ASN . 3.3 mmp_? -70.46 115.74 9.98 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.937 0.398 . . . . 73.42 111.206 179.114 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 64.6 84.19 0.08 OUTLIER Glycine 0 N--CA 1.446 -0.651 0 CA-C-N 115.168 -0.924 . . . . 70.11 113.646 172.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.616 ' H ' HD12 ' A' ' 109' ' ' ILE . 4.0 mp -66.85 -36.69 77.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 N-CA-C 107.463 -1.31 . . . . 75.15 107.463 170.056 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.402 ' CE2' HG11 ' A' ' 62' ' ' VAL . 48.2 p90 -131.59 146.17 52.07 Favored 'General case' 0 N--CA 1.45 -0.459 0 CA-C-N 114.038 -1.437 . . . . 75.35 108.65 169.581 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.708 ' O ' ' HB ' ' A' ' 74' ' ' ILE . 6.8 p -137.63 142.34 41.21 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 110.13 -0.322 . . . . 62.12 110.13 -179.53 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 47.1 p90 -154.88 141.5 18.9 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.125 0.488 . . . . 74.4 110.904 -179.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.9 tp10 -147.82 150.35 34.02 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 108.126 -1.064 . . . . 70.22 108.126 178.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.455 ' HD3' ' H ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -75.63 90.38 2.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.962 0.887 . . . . 74.21 112.153 -176.101 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.96 143.63 35.62 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.929 0 CA-C-N 114.288 -1.324 . . . . 60.02 108.522 173.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -65.41 156.98 30.6 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.384 0.612 . . . . 75.32 112.002 -173.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.477 ' HB1' ' OD2' ' A' ' 12' ' ' ASP . . . -145.07 145.06 31.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.438 -0.801 . . . . 65.23 109.661 -178.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 46.1 p-80 -145.72 44.96 1.28 Allowed 'General case' 0 CA--C 1.534 0.36 0 N-CA-C 112.123 0.416 . . . . 70.23 112.123 -174.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 41.9 m -63.0 -33.02 74.52 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.071 -0.393 . . . . 54.22 111.168 -177.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 64.59 56.56 16.43 Favored Glycine 0 CA--C 1.52 0.401 0 C-N-CA 120.913 -0.661 . . . . 73.4 113.294 175.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -112.11 179.08 4.1 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.43 -0.582 . . . . 71.35 109.43 176.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -58.19 -29.77 65.91 Favored 'General case' 0 N--CA 1.466 0.334 0 CA-C-O 120.94 0.4 . . . . 63.51 111.159 -178.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -66.47 -26.46 67.2 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.986 -0.552 . . . . 50.33 111.431 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.533 ' HA ' HG12 ' A' ' 127' ' ' VAL . 10.1 m120 -63.23 -33.3 75.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.79 0.328 . . . . 63.01 110.971 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.28 -40.93 96.97 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.003 -0.544 . . . . 73.53 109.772 177.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.484 ' O ' ' HB2' ' A' ' 130' ' ' LYS . 70.4 t80 -70.57 -49.79 44.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.064 -0.971 . . . . 74.11 110.987 -178.109 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.533 HG12 ' HA ' ' A' ' 124' ' ' ASN . 14.4 p -71.24 -34.8 55.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.413 -0.358 . . . . 63.44 111.769 -175.429 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.685 ' O ' ' HG2' ' A' ' 132' ' ' LYS . 8.8 t70 -59.48 -56.25 24.33 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.619 0.247 . . . . 71.1 111.244 -179.031 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 26.9 ptm -66.82 -31.38 71.96 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.997 0.427 . . . . 74.11 110.408 -178.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 126' ' ' TYR . 4.0 tmtp? -62.37 -48.22 80.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.908 -0.587 . . . . 75.14 109.946 178.226 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.98 -37.32 85.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.986 -0.552 . . . . 51.23 111.086 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.775 ' HB3' ' HB ' ' A' ' 137' ' ' ILE . 33.2 mmtp -61.3 -32.54 72.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.424 -0.353 . . . . 63.34 110.872 -179.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 13.3 t -64.42 -34.91 79.27 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.416 -0.356 . . . . 72.52 110.519 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -76.75 -21.57 55.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.089 0.471 . . . . 72.13 110.818 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 95.8 mt -93.91 -2.84 52.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.961 -0.563 . . . . 73.41 110.277 179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 77.17 23.96 67.36 Favored Glycine 0 N--CA 1.446 -0.665 0 CA-C-N 115.627 -0.715 . . . . 72.1 112.815 177.148 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.775 ' HB ' ' HB3' ' A' ' 132' ' ' LYS . 50.7 mm -76.81 134.31 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 120.748 0.309 . . . . 75.33 110.34 -179.41 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.457 ' HD2' ' N ' ' A' ' 138' ' ' ARG . 6.1 mpt_? -90.3 170.79 9.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.108 0.48 . . . . 70.21 111.153 -177.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 55.23 67.8 0.96 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.635 -1.166 . . . . 72.03 111.548 -176.709 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.41 HD21 ' HB2' ' A' ' 132' ' ' LYS . 85.1 mt -96.86 -38.68 9.75 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 114.705 -1.134 . . . . 53.33 108.249 168.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.458 ' CD ' ' H ' ' A' ' 141' ' ' GLU . 0.8 OUTLIER -88.4 13.68 11.27 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 113.533 -1.667 . . . . 73.41 110.371 -178.655 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -81.56 88.04 6.22 Favored 'General case' 0 N--CA 1.448 -0.569 0 CA-C-O 121.081 0.467 . . . . 74.24 110.102 -175.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 90.7 m-70 -142.06 -68.14 0.38 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.684 -0.689 . . . . 75.42 109.366 174.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 15.7 m-70 63.05 -178.54 0.15 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.239 -0.891 . . . . 75.01 111.503 178.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 57.2 m80 -142.54 108.75 5.24 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.39 -0.368 . . . . 74.04 110.442 -177.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 14.3 m170 -137.79 131.9 31.88 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.355 -0.384 . . . . 65.54 110.372 177.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 66.9 m80 . . . . . 0 C--O 1.245 0.861 0 CA-C-O 118.447 -0.787 . . . . 71.42 109.693 179.241 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.7 mtp . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 120.891 0.377 . . . . 72.25 110.588 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -87.02 45.1 1.23 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-O 122.027 0.918 . . . . 64.14 108.692 171.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 1.066 ' HB2' ' HB3' ' A' ' 29' ' ' ASP . 2.7 p-10 -149.52 121.84 8.43 Favored 'General case' 0 N--CA 1.443 -0.796 0 CA-C-N 114.433 -1.258 . . . . 74.24 108.594 -171.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 22.5 ptt180 -139.51 -24.69 0.85 Allowed 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 112.928 0.714 . . . . 71.33 112.928 -172.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.75 95.25 6.58 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 113.347 0.869 . . . . 70.3 113.347 -165.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 43.13 90.39 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.483 0 O-C-N 124.446 1.091 . . . . 73.03 112.445 169.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.672 ' HB2' HG22 ' A' ' 72' ' ' ILE . 22.4 m-85 -72.31 127.88 33.93 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 116.049 -0.523 . . . . 72.31 110.618 -172.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -110.42 100.17 9.06 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.027 -0.533 . . . . 64.31 109.737 -176.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.465 ' HB ' ' O ' ' A' ' 73' ' ' ARG . 76.8 t -96.8 112.14 28.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.008 -0.542 . . . . 74.23 110.193 -178.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.477 ' HA ' ' HB2' ' A' ' 75' ' ' LEU . 45.4 p90 -143.33 150.97 39.93 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.049 -0.523 . . . . 74.01 110.374 -178.142 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.465 HG23 HG21 ' A' ' 127' ' ' VAL . 37.9 m -146.91 86.2 1.64 Allowed 'General case' 0 C--N 1.318 -0.773 0 CA-C-O 121.406 0.622 . . . . 71.11 110.07 175.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 12.6 t0 -115.5 99.47 7.38 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.628 -0.714 . . . . 72.04 109.127 178.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 147.87 97.16 0.19 Allowed Glycine 0 N--CA 1.447 -0.623 0 N-CA-C 111.024 -0.83 . . . . 64.22 111.024 -176.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.518 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 10.1 p -159.67 18.24 0.16 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.829 0.347 . . . . 72.12 111.483 -175.265 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.804 ' HB3' ' HD1' ' A' ' 20' ' ' TYR . 22.1 p90 -145.11 131.0 19.15 Favored 'General case' 0 N--CA 1.455 -0.225 0 CA-C-O 121.303 0.573 . . . . 74.23 110.731 178.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.692 HG22 HD22 ' A' ' 17' ' ' ASN . 8.1 p -154.73 136.38 5.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.737 -0.665 . . . . 73.21 110.069 -179.415 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.692 HD22 HG22 ' A' ' 16' ' ' VAL . 40.5 m-80 59.24 28.57 17.93 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.343 -0.389 . . . . 64.3 111.328 -178.281 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.83 -2.85 86.94 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 120.895 -0.669 . . . . 34.23 112.4 178.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.498 ' HB3' HD22 ' A' ' 135' ' ' LEU . 51.3 mt-30 -94.42 132.7 38.78 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.833 -0.432 . . . . 72.41 109.833 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.804 ' HD1' ' HB3' ' A' ' 15' ' ' TYR . 86.9 t80 -131.6 134.12 45.7 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.95 0.405 . . . . 73.33 111.177 -174.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.518 ' O ' ' HB2' ' A' ' 14' ' ' SER . . . -152.51 133.63 14.24 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.61 -0.885 . . . . 72.53 108.61 176.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 48.7 p-90 -82.54 144.3 30.48 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.51 0.672 . . . . 73.32 111.004 -173.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -146.98 168.54 21.26 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.045 -0.98 . . . . 74.44 109.21 -178.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -145.74 136.67 24.54 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.026 0.441 . . . . 74.53 110.699 177.016 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -128.78 112.59 14.33 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.571 -0.741 . . . . 75.13 109.786 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.482 ' CE1' HD12 ' A' ' 55' ' ' ILE . 31.9 m-85 -94.85 97.79 10.27 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.291 0.567 . . . . 75.2 110.448 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 3.2 p -97.7 115.04 36.58 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.629 0 CA-C-N 115.075 -0.966 . . . . 42.22 109.749 177.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.6 tttm -102.95 101.46 11.47 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 115.386 -0.825 . . . . 72.01 109.561 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 1.066 ' HB3' ' HB2' ' A' ' 3' ' ' ASP . 37.5 t0 45.61 49.22 11.12 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-N 115.366 -0.834 . . . . 73.42 111.403 -179.05 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.78 -19.35 54.94 Favored Glycine 0 CA--C 1.52 0.379 0 CA-C-N 115.739 -0.664 . . . . 55.45 113.46 176.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 67.9 mmtt -94.62 126.4 39.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 117.226 0.513 . . . . 72.43 110.747 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 61.2 t -87.46 98.26 7.25 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 N-CA-C 109.288 -0.634 . . . . 74.41 109.288 177.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -85.63 -30.55 23.17 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.266 -0.425 . . . . 73.13 110.701 -175.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 -144.57 141.17 29.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.059 0.457 . . . . 72.21 111.596 178.098 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 tp10 -152.57 120.52 6.17 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 114.76 -1.109 . . . . 54.21 108.165 179.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.609 ' HB3' HG13 ' A' ' 51' ' ' VAL . 1.9 t0 -160.73 165.79 29.83 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 120.808 0.337 . . . . 63.54 110.646 -175.43 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -149.67 155.57 40.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.104 -0.498 . . . . 65.2 110.195 -175.697 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.417 ' HB2' HG23 ' A' ' 51' ' ' VAL . 4.2 t0 -148.57 167.28 25.83 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.978 -0.379 . . . . 74.03 109.978 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 20.4 m -108.74 156.72 9.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 116.247 -0.433 . . . . 74.4 110.132 178.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.73 67.66 1.35 Allowed Glycine 0 N--CA 1.446 -0.658 0 C-N-CA 120.507 -0.854 . . . . 65.4 111.973 179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.404 ' O ' ' HD3' ' A' ' 41' ' ' LYS . 14.8 tmtt? -84.46 88.65 7.3 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.511 -0.552 . . . . 62.42 109.511 178.615 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.9 m-80 -141.96 152.36 61.79 Favored Pre-proline 0 C--N 1.325 -0.47 0 CA-C-N 115.633 -0.712 . . . . 71.52 109.677 178.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_endo -63.14 -24.29 72.98 Favored 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 122.659 2.239 . . . . 71.34 112.126 175.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -65.49 -26.74 68.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.381 -0.372 . . . . 52.23 111.1 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.521 ' O ' ' HG3' ' A' ' 49' ' ' ARG . . . -91.5 7.32 41.84 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.067 -0.515 . . . . 74.43 111.45 -177.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.512 ' HA ' ' CZ ' ' A' ' 49' ' ' ARG . . . -47.88 -43.23 28.41 Favored 'General case' 0 N--CA 1.467 0.42 0 N-CA-C 113.459 0.911 . . . . 75.44 113.459 -174.503 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.5 m -93.56 -28.97 15.74 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.914 0.387 . . . . 72.23 110.977 -177.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.9 ptp -95.68 66.12 2.68 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 121.529 0.681 . . . . 73.23 111.415 -178.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 45' ' ' ALA . 80.2 mtt180 -115.42 126.44 54.37 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.549 -0.751 . . . . 75.52 109.824 176.339 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 -68.71 -40.57 79.92 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.88 0.372 . . . . 75.11 110.359 -177.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.609 HG13 ' HB3' ' A' ' 36' ' ' ASP . 47.7 t -60.58 -30.56 47.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.666 -0.697 . . . . 73.14 111.275 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.17 -23.09 61.92 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.278 -0.419 . . . . 74.33 111.987 -176.468 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.0 -51.91 51.92 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.697 -0.763 . . . . 71.52 111.625 177.272 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -71.36 -35.58 71.18 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.798 0.332 . . . . 72.21 111.17 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.54 HG12 ' O ' ' A' ' 51' ' ' VAL . 46.2 mm -63.32 -30.38 49.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.306 -0.406 . . . . 73.34 111.14 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.12 -29.06 70.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 71.1 111.581 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -71.65 -27.53 63.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.055 0.455 . . . . 74.12 110.965 -179.663 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.65 -21.86 54.87 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.166 -0.47 . . . . 64.32 110.771 179.048 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.4 tp -62.93 -30.97 71.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.863 -0.608 . . . . 65.45 111.034 -178.093 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -60.29 -35.86 76.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 74.54 111.178 178.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -68.94 -35.95 77.38 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.065 -0.516 . . . . 63.11 110.219 178.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.94 -39.07 82.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.781 -0.645 . . . . 41.33 110.151 177.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -63.79 -38.23 90.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.773 -0.649 . . . . 73.14 110.454 178.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.647 ' HA ' HE21 ' A' ' 67' ' ' GLN . 88.5 mttt -75.14 -29.15 60.42 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.627 -0.261 . . . . 65.2 111.06 176.652 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.78 -35.61 76.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.861 0.362 . . . . 33.24 111.105 179.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.508 ' HB2' ' CD1' ' A' ' 109' ' ' ILE . 33.1 t -62.63 -37.57 86.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 63.53 110.212 176.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.647 HE21 ' HA ' ' A' ' 64' ' ' LYS . 46.8 mt-30 -73.89 -48.3 31.86 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 115.643 -0.708 . . . . 50.12 111.161 -178.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.1 mp -68.42 -26.06 65.34 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.043 -0.526 . . . . 65.32 111.314 -178.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 93.8 10.55 58.78 Favored Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.646 -0.788 . . . . 51.21 112.857 177.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 20.9 m -86.7 150.5 3.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 110.237 -0.283 . . . . 70.23 110.237 178.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.498 ' HD2' ' O ' ' A' ' 108' ' ' GLY . 70.2 mmtt -116.24 144.22 44.49 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.378 -0.374 . . . . 70.42 110.767 -173.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.672 HG22 ' HB2' ' A' ' 7' ' ' TYR . 17.1 pt -127.7 154.05 37.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.297 -0.41 . . . . 71.0 110.887 178.227 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.465 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 4.4 mpt_? -97.65 135.06 40.0 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.254 -0.647 . . . . 62.24 109.254 172.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.702 HG22 ' HB2' ' A' ' 76' ' ' HIS . 35.1 mm -116.64 113.91 44.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 120.896 0.379 . . . . 71.12 110.738 177.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.477 ' HB2' ' HA ' ' A' ' 10' ' ' TYR . 1.1 tm? -81.99 96.03 7.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.463 -0.94 . . . . 53.13 108.463 173.136 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.702 ' HB2' HG22 ' A' ' 74' ' ' ILE . 13.2 t-80 -134.32 169.67 16.87 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.291 -0.413 . . . . 53.24 109.969 -173.458 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -66.17 147.09 53.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.419 -0.355 . . . . 70.21 110.41 176.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 5.3 p90 -88.72 -1.1 57.9 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.966 0.728 . . . . 72.22 112.966 -170.509 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -87.83 -20.01 26.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 122.091 -0.38 . . . . 74.44 111.031 179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.423 ' O ' ' HD1' ' A' ' 84' ' ' TRP . . . -71.65 -36.92 61.97 Favored Glycine 0 CA--C 1.518 0.247 0 CA-C-N 115.986 -0.552 . . . . 72.33 113.276 -176.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 10.5 tt -57.06 -42.72 79.94 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.31 0 CA-C-N 116.836 0.318 . . . . 74.42 111.759 -176.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.48 -22.14 54.91 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.954 0.407 . . . . 43.41 110.808 -178.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.437 ' HD2' ' HB3' ' A' ' 88' ' ' GLU . 4.4 t80 -73.72 -41.79 62.08 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.895 -0.593 . . . . 74.31 110.174 -177.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.423 ' HD1' ' O ' ' A' ' 80' ' ' GLY . 88.6 m95 -70.54 -46.32 63.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 62.32 111.526 179.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -73.37 -5.01 36.99 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.478 0.547 . . . . 71.12 112.478 -172.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 34.7 p -112.54 3.62 16.87 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.983 0.421 . . . . 71.51 110.456 175.479 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 81.85 99.08 0.43 Allowed Glycine 0 N--CA 1.448 -0.55 0 C-N-CA 120.905 -0.665 . . . . 74.52 112.356 -179.538 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.437 ' HB3' ' HD2' ' A' ' 83' ' ' PHE . 10.0 pt-20 -72.89 -28.33 62.42 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.119 0.485 . . . . 63.2 110.73 176.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 69.8 m95 -97.65 -177.65 3.86 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.876 -0.602 . . . . 71.11 109.535 175.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 1.041 ' HE3' ' HA ' ' A' ' 90' ' ' LYS . 0.5 OUTLIER -67.03 114.77 6.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.196 0.522 . . . . 72.41 111.169 -173.728 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -82.2 133.67 35.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.629 -0.714 . . . . 65.11 111.319 179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 41.9 tptt -73.11 154.32 40.43 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.7 -0.852 . . . . 73.13 108.7 173.252 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -47.68 -45.72 28.62 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 112.911 0.708 . . . . 71.43 112.911 -171.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -123.46 -43.63 2.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 122.195 -0.315 . . . . 74.25 111.258 177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -52.66 -57.54 9.73 Favored 'General case' 0 N--CA 1.467 0.377 0 N-CA-C 112.649 0.611 . . . . 74.15 112.649 -172.615 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 6.7 m -71.49 -37.82 71.23 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.854 -0.339 . . . . 65.14 111.14 -177.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -56.22 -41.48 75.73 Favored 'General case' 0 N--CA 1.454 -0.252 0 CA-C-O 120.992 0.425 . . . . 72.13 111.34 178.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -75.43 -41.79 55.0 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.02 -0.536 . . . . 73.11 110.956 177.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 53.5 t80 -63.49 -41.86 98.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.132 -0.485 . . . . 61.22 111.354 -177.221 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -67.86 -33.12 74.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.022 0.439 . . . . 72.13 110.683 178.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.797 ' HA ' ' HE3' ' A' ' 101' ' ' LYS . 0.9 OUTLIER -70.74 -35.25 72.59 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.832 -0.622 . . . . 74.35 110.431 179.828 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 85.3 mt -101.05 13.23 35.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.997 -0.547 . . . . 50.03 111.293 -178.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 21.0 ttt -70.55 -31.08 67.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.072 0.463 . . . . 64.4 109.949 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -58.56 -32.15 68.64 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.206 -0.906 . . . . 63.01 110.902 176.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -59.02 -47.56 84.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.637 -0.711 . . . . 74.21 111.11 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 85.2 t80 -84.58 -39.0 19.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.775 0.321 . . . . 53.41 110.985 -178.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.9 ttm180 -68.1 114.75 6.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.023 0.439 . . . . 73.1 110.459 -178.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.498 ' O ' ' HD2' ' A' ' 71' ' ' LYS . . . -152.68 17.52 0.75 Allowed Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.932 -0.651 . . . . 72.04 111.613 176.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.508 ' CD1' ' HB2' ' A' ' 66' ' ' SER . 9.3 mt -74.44 -39.63 48.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 121.129 0.49 . . . . 74.21 110.435 -178.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.576 ' HA ' ' O ' ' A' ' 72' ' ' ILE . 32.1 p90 -140.15 149.02 42.48 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.479 -0.782 . . . . 74.13 110.899 -174.143 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.3 m -149.7 164.75 34.37 Favored 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.531 -0.758 . . . . 74.42 109.39 177.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.3 p90 -134.7 142.17 46.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.932 0.396 . . . . 74.11 110.525 178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -142.52 133.92 26.36 Favored 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 107.936 -1.135 . . . . 64.32 107.936 178.287 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 50.2 tptt -71.56 89.0 0.95 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.153 0.501 . . . . 73.13 110.835 -174.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 18.2 t -125.49 100.11 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.621 -0.718 . . . . 54.32 110.101 178.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -78.61 84.39 4.72 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.915 -0.772 . . . . 65.24 108.915 175.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -148.34 -52.01 0.18 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.301 -0.863 . . . . 44.43 109.73 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -81.32 12.69 3.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.395 0.617 . . . . 73.04 109.928 174.098 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.8 m -98.23 11.36 38.11 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 115.264 -0.88 . . . . 64.33 110.205 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -137.07 32.53 2.42 Favored Glycine 0 N--CA 1.449 -0.45 0 CA-C-N 115.585 -0.734 . . . . 33.51 111.52 178.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 62.0 t30 -92.25 166.77 12.44 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.789 -0.448 . . . . 62.13 109.789 -177.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -55.89 -34.45 65.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.896 0.379 . . . . 42.0 111.623 -177.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.6 m-85 -66.9 -26.27 66.79 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.054 -0.521 . . . . 72.34 111.513 -179.129 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -63.3 -38.05 89.65 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.653 0.263 . . . . 74.54 110.7 179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -70.81 -29.98 66.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 72.44 110.345 178.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 87.0 t80 -60.36 -50.42 73.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.06 -0.518 . . . . 51.41 110.703 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.465 HG21 HG23 ' A' ' 11' ' ' THR . 11.8 p -76.46 -31.53 20.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.955 0.407 . . . . 75.42 110.64 179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.446 ' O ' ' HB2' ' A' ' 132' ' ' LYS . 34.2 t70 -57.76 -49.79 75.4 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.05 -0.523 . . . . 75.23 110.369 177.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.442 ' HA ' ' HB3' ' A' ' 132' ' ' LYS . 27.6 ptt? -71.54 -30.25 65.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.361 -0.381 . . . . 73.52 110.928 178.307 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.9 tmtt? -58.65 -53.48 57.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.299 -0.41 . . . . 71.43 110.057 179.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.14 -31.89 68.28 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.239 0.543 . . . . 54.42 110.519 177.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.669 ' HG2' ' HB ' ' A' ' 137' ' ' ILE . 37.0 ttmt -57.53 -35.19 69.96 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.345 -0.843 . . . . 72.24 111.363 178.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 42.6 m -65.93 -32.53 74.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.266 -0.425 . . . . 72.43 110.809 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.46 -6.95 55.33 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.082 -0.508 . . . . 73.04 110.855 179.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 19' ' ' GLN . 83.6 mt -97.14 -5.57 36.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.979 -0.555 . . . . 72.44 110.602 -179.545 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 100.68 -6.76 57.38 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.733 -0.746 . . . . 53.1 112.556 178.643 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.669 ' HB ' ' HG2' ' A' ' 132' ' ' LYS . 58.4 mt -85.66 119.99 35.02 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 109.433 -0.58 . . . . 53.44 109.433 178.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 26.6 ttt85 68.68 53.55 0.53 Allowed 'General case' 0 CA--C 1.53 0.181 0 CA-C-O 122.01 0.909 . . . . 75.02 109.256 -174.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -143.54 156.92 44.75 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-N 115.112 -0.949 . . . . 75.04 109.568 177.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . 0.451 HD13 ' O ' ' A' ' 140' ' ' LEU . 2.9 tm? -75.01 -33.36 61.79 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 112.152 0.427 . . . . 74.21 112.152 -171.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -101.26 16.23 26.2 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 120.607 -0.437 . . . . 75.54 111.822 -169.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 9.2 t-80 -61.59 135.01 57.49 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 109.133 -0.691 . . . . 72.22 109.133 173.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 5.7 t60 63.27 -105.16 0.15 Allowed 'General case' 0 CA--C 1.532 0.269 0 N-CA-C 107.992 -1.114 . . . . 74.43 107.992 -170.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 74.2 m80 26.04 71.99 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.061 1.134 . . . . 72.45 114.061 173.569 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 91.4 m-70 -109.62 5.87 23.37 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.853 -0.425 . . . . 71.13 109.853 175.529 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 13.0 t60 69.65 -71.7 0.12 Allowed 'General case' 0 N--CA 1.465 0.31 0 O-C-N 124.12 0.888 . . . . 71.23 110.61 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.315 -0.85 . . . . 72.23 109.404 -179.957 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptt? . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 110.56 -0.163 . . . . 75.1 110.56 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -107.48 87.62 2.54 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.65 -0.87 . . . . 75.52 108.65 172.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -124.05 98.63 5.87 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.385 -0.825 . . . . 73.31 110.073 -174.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.421 HH11 ' HD2' ' A' ' 4' ' ' ARG . 56.5 mtt85 -89.92 -25.86 20.73 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.586 -0.733 . . . . 54.01 111.324 -178.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.3 p -105.96 121.48 44.19 Favored 'General case' 0 C--N 1.312 -1.058 0 CA-C-N 115.587 -0.733 . . . . 63.11 111.013 -177.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.637 ' O ' ' HE2' ' A' ' 28' ' ' LYS . 32.5 tt0 68.2 106.8 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 O-C-N 124.203 0.939 . . . . 72.42 110.904 -177.571 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 49.4 t80 -85.59 148.02 26.12 Favored 'General case' 0 N--CA 1.443 -0.806 0 N-CA-C 108.184 -1.043 . . . . 72.11 108.184 167.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.73 ' OD2' ' HB2' ' A' ' 26' ' ' PHE . 1.5 p-10 -78.81 104.52 9.49 Favored 'General case' 0 C--N 1.313 -0.992 0 CA-C-O 121.492 0.663 . . . . 74.45 111.153 -174.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.693 HG21 HD13 ' A' ' 72' ' ' ILE . 55.3 t -130.24 130.81 65.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.456 -0.793 . . . . 52.41 111.033 -178.017 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -153.41 137.72 16.62 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 108.504 -0.924 . . . . 74.04 108.504 174.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.9 t -148.64 154.33 39.55 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 120.55 -0.46 . . . . 44.11 111.475 -174.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.518 ' HA ' ' O ' ' A' ' 115' ' ' VAL . 0.0 OUTLIER -103.6 173.47 6.29 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.798 -0.816 . . . . 61.32 108.798 172.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -168.82 39.19 0.21 Allowed Glycine 0 N--CA 1.445 -0.766 0 C-N-CA 120.928 -0.653 . . . . 52.32 111.534 177.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 46.9 m -127.6 113.17 15.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.93 0.395 . . . . 75.54 111.293 -176.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -58.15 122.2 12.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.698 -0.683 . . . . 74.32 110.326 176.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.753 HG22 HD22 ' A' ' 17' ' ' ASN . 10.9 p -102.94 127.05 57.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 120.96 0.409 . . . . 73.52 110.811 -176.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.753 HD22 HG22 ' A' ' 16' ' ' VAL . 41.5 m-80 62.92 30.94 16.48 Favored 'General case' 0 N--CA 1.466 0.343 0 CA-C-N 115.793 -0.64 . . . . 74.2 111.356 179.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.14 10.06 85.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.823 -0.704 . . . . 70.43 113.53 173.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.492 HE21 HD13 ' A' ' 135' ' ' LEU . 11.0 pt20 -127.08 155.12 43.78 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.995 0.398 . . . . 75.13 110.29 178.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -97.06 134.93 39.76 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.519 0.676 . . . . 62.21 111.938 -175.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.88 167.2 24.52 Favored 'General case' 0 C--N 1.319 -0.748 0 N-CA-C 107.495 -1.298 . . . . 54.11 107.495 173.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 10.6 p-90 -139.77 130.05 25.31 Favored 'General case' 0 C--N 1.321 -0.655 0 C-N-CA 120.144 -0.622 . . . . 72.23 110.731 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.731 ' HB1' ' HB ' ' A' ' 127' ' ' VAL . . . -124.68 135.91 53.45 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.672 -0.695 . . . . 52.25 110.113 176.033 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.8 p90 -128.23 139.46 52.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.085 0.469 . . . . 73.22 109.99 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.793 ' HB2' HG11 ' A' ' 127' ' ' VAL . . . -133.23 154.15 50.91 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.906 -0.588 . . . . 64.42 110.255 -177.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.73 ' HB2' ' OD2' ' A' ' 8' ' ' ASP . 0.2 OUTLIER -128.15 97.79 4.89 Favored 'General case' 0 C--N 1.311 -1.08 0 CA-C-O 121.627 0.727 . . . . 55.45 110.244 175.463 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.726 ' HA ' ' HA ' ' A' ' 32' ' ' VAL . 2.7 p -109.98 125.66 67.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 114.884 -1.053 . . . . 71.53 110.717 -174.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.687 ' HB2' ' HB3' ' A' ' 8' ' ' ASP . 23.7 tptp -126.78 122.98 36.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.848 -0.614 . . . . 61.24 109.952 -176.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.443 ' OD1' ' HG3' ' A' ' 28' ' ' LYS . 4.2 m-20 62.47 35.59 14.63 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.624 0.601 . . . . 51.43 112.624 172.161 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.53 1.74 58.95 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.24 -0.981 . . . . 55.51 114.295 172.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.61 ' HE2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -153.25 151.64 30.27 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 117.87 0.835 . . . . 75.44 111.717 173.812 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.726 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 14.9 p -84.14 151.37 3.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 115.603 -0.726 . . . . 73.21 110.65 -176.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.676 ' HB2' ' HD2' ' A' ' 26' ' ' PHE . 37.6 m170 -77.44 -60.11 2.5 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.841 -0.429 . . . . 74.53 109.841 174.226 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.41 ' HB2' ' CE2' ' A' ' 26' ' ' PHE . 98.7 m-85 -144.76 154.04 42.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.071 -0.513 . . . . 73.32 109.652 178.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -124.71 120.99 33.38 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 110.245 -0.28 . . . . 73.13 110.245 -177.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -152.61 159.36 43.23 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 110.06 -0.348 . . . . 64.43 110.06 176.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -176.6 156.04 1.43 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.275 -0.639 . . . . 72.13 109.275 -175.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -156.76 175.94 13.39 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 110.254 -0.276 . . . . 71.45 110.254 -178.519 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 16.9 m -98.55 130.19 47.75 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.638 0 CA-C-O 121.229 0.538 . . . . 64.13 111.222 -178.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.84 -165.98 53.54 Favored Glycine 0 N--CA 1.449 -0.489 0 CA-C-N 115.72 -0.673 . . . . 41.31 112.344 -179.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 81.3 mttt -138.58 109.41 6.69 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.804 0.335 . . . . 72.24 110.736 177.142 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.754 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 17.9 m120 -129.41 142.74 46.3 Favored Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 109.12 -0.696 . . . . 75.33 109.12 175.292 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.08 -50.4 11.45 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 122.86 2.373 . . . . 74.3 113.357 -173.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -88.69 -33.26 17.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.69 0.281 . . . . 72.05 111.077 -176.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.754 ' HB3' ' HB2' ' A' ' 42' ' ' ASN . . . -67.95 -36.14 79.59 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 112.203 0.446 . . . . 71.4 112.203 -176.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -75.02 -16.6 60.6 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.06 0.392 . . . . 62.22 112.06 -175.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 13.2 p -120.02 -62.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.851 -0.34 . . . . 72.13 111.509 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.424 ' HG2' ' HG3' ' A' ' 49' ' ' ARG . 49.2 ttm 44.16 -85.44 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.314 0 C-N-CA 125.613 1.565 . . . . 72.12 112.576 178.107 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.424 ' HG3' ' HG2' ' A' ' 48' ' ' MET . 51.4 mtt180 -148.03 13.43 1.0 Allowed 'General case' 0 C--N 1.314 -0.939 0 CA-C-N 114.455 -1.248 . . . . 73.41 109.413 -176.366 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -82.36 176.51 9.38 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.082 -0.963 . . . . 73.44 110.318 -175.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.526 ' O ' HG12 ' A' ' 55' ' ' ILE . 45.9 t -62.81 -35.97 73.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.377 0.608 . . . . 61.24 109.467 177.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.709 ' HA ' ' HB ' ' A' ' 55' ' ' ILE . . . -58.59 -16.03 14.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.097 -0.956 . . . . 62.41 112.027 177.362 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.52 -53.38 39.19 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.708 -0.758 . . . . 51.14 111.844 177.079 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -72.4 -31.19 65.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.954 0.407 . . . . 72.44 110.412 175.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.709 ' HB ' ' HA ' ' A' ' 52' ' ' ALA . 37.7 mm -64.44 -29.58 47.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 115.896 -0.593 . . . . 65.22 110.966 177.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.67 -24.62 22.61 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.371 . . . . 74.01 111.581 178.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.58 -24.74 67.7 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.742 0.306 . . . . 72.42 110.83 178.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.56 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -68.93 -26.83 65.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.48 -0.327 . . . . 75.42 110.343 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.6 tp -67.26 -39.28 86.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.328 0.585 . . . . 75.13 109.501 176.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.487 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 97.5 m-85 -73.8 -26.37 60.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.535 -0.757 . . . . 75.21 110.13 175.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.2 -34.47 78.46 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.304 -0.407 . . . . 74.3 110.049 172.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.56 HG23 ' O ' ' A' ' 58' ' ' ALA . 62.0 t -69.57 -37.18 73.96 Favored 'Isoleucine or valine' 0 C--O 1.235 0.328 0 CA-C-O 121.117 0.484 . . . . 62.23 109.938 174.043 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.487 ' HB2' ' HA ' ' A' ' 60' ' ' TYR . 6.0 tmtt? -56.41 -41.75 76.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.411 -0.813 . . . . 73.03 109.748 174.762 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 6.2 mptp? -71.0 -45.87 63.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.709 -0.678 . . . . 73.42 110.791 174.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -53.05 -41.62 64.96 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.058 -0.519 . . . . 43.4 111.993 -176.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.475 ' HA ' HG12 ' A' ' 109' ' ' ILE . 34.5 t -52.22 -49.71 63.4 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.053 -0.521 . . . . 61.35 110.926 178.374 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -83.63 -29.13 27.95 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.921 -0.581 . . . . 74.54 111.461 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 39.3 tp -72.74 -26.55 61.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.334 -0.393 . . . . 64.32 111.027 -176.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 100.88 14.61 31.07 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.563 -0.827 . . . . 65.23 112.932 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.4 m -112.43 147.41 16.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.753 0.311 . . . . 61.24 110.749 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.583 ' HA ' HG23 ' A' ' 109' ' ' ILE . 80.4 mttt -129.69 178.37 6.55 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.168 -0.469 . . . . 71.31 110.318 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.693 HD13 HG21 ' A' ' 9' ' ' VAL . 2.7 pp -109.31 167.18 4.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 N-CA-C 110.121 -0.325 . . . . 70.22 110.121 178.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 49.6 ttt85 -76.79 102.8 6.42 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.127 0.489 . . . . 74.23 109.914 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.539 ' HB ' ' HB3' ' A' ' 111' ' ' SER . 35.5 pt -87.34 139.44 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.609 0 CA-C-N 115.588 -0.733 . . . . 74.32 111.601 -175.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -106.87 28.32 8.08 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.737 -0.665 . . . . 75.52 109.377 175.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 40.1 t60 -52.57 -46.51 66.89 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.28 -0.873 . . . . 73.01 112.642 -172.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.541 ' OD1' ' HD1' ' A' ' 78' ' ' TYR . 12.1 t70 59.58 -85.23 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.679 0.612 . . . . 55.25 110.181 -173.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.541 ' HD1' ' OD1' ' A' ' 77' ' ' ASP . 4.5 p90 -165.19 -26.26 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.828 0.347 . . . . 74.32 110.353 172.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -79.72 -12.99 59.77 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 112.431 0.53 . . . . 62.32 112.431 -174.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -57.78 -15.6 20.15 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 114.252 0.461 . . . . 75.42 114.252 -176.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.405 ' H ' HG13 ' A' ' 81' ' ' ILE . 2.8 pp -75.5 -19.95 15.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 O-C-N 122.237 -0.567 . . . . 44.44 111.895 179.128 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -82.06 11.99 4.64 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 113.323 0.86 . . . . 74.11 113.323 -169.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.424 ' HE2' ' HA ' ' A' ' 113' ' ' GLU . 54.4 p90 -133.71 -8.51 2.8 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 120.16 -0.616 . . . . 71.0 111.227 173.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.711 ' HZ2' ' H ' ' A' ' 112' ' ' PHE . 33.0 m0 -75.34 -68.91 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.075 0.464 . . . . 73.34 110.926 175.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.535 ' HB1' ' HB1' ' A' ' 100' ' ' ALA . . . -65.82 -29.95 70.51 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.461 -0.79 . . . . 74.5 111.604 -171.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 13.2 p -105.99 10.08 32.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.094 -0.503 . . . . 55.22 111.805 -178.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.415 ' HA3' ' O ' ' A' ' 83' ' ' PHE . . . -110.54 -68.35 0.57 Allowed Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.439 -0.886 . . . . 61.35 112.607 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -65.65 -37.12 85.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.991 0.424 . . . . 72.34 110.676 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 59.7 t-105 -126.0 158.39 35.44 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.06 -0.718 . . . . 74.4 109.06 176.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 30.8 mmmt -89.38 112.18 23.23 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 120.898 0.38 . . . . 75.41 110.246 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.505 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -106.83 109.79 21.78 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.803 -0.635 . . . . 73.32 109.901 177.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -154.02 -63.57 0.14 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.023 -0.535 . . . . 73.21 110.659 -174.264 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -90.7 83.01 5.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.168 -0.469 . . . . 75.13 112.178 -174.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 31.6 mt-10 56.36 -86.56 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 113.807 1.04 . . . . 70.0 113.807 169.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -58.49 -29.94 66.63 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.14 0.576 . . . . 71.41 111.832 -171.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.505 ' HB ' ' HA ' ' A' ' 91' ' ' ALA . 24.6 p -58.45 -28.57 65.41 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-N 115.683 -0.69 . . . . 72.11 111.649 -178.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 17.1 mm-40 -68.61 -38.91 80.96 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.466 -0.334 . . . . 71.21 111.319 -178.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -64.34 -35.7 81.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.957 0.408 . . . . 63.22 110.383 178.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -79.72 -30.93 41.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.862 -0.608 . . . . 72.2 110.935 178.812 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.627 ' O ' ' HG2' ' A' ' 103' ' ' MET . . . -69.78 -45.46 67.94 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.06 -0.518 . . . . 71.3 111.077 179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -74.57 -9.61 58.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.923 0.392 . . . . 62.42 110.553 -178.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 58.4 tp -69.41 -32.24 71.1 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.044 -0.525 . . . . 73.11 110.411 179.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.627 ' HG2' ' O ' ' A' ' 100' ' ' ALA . 21.7 ptp -69.56 -26.66 64.59 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 121.138 0.494 . . . . 63.12 109.997 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.641 ' HA ' ' HD3' ' A' ' 107' ' ' ARG . 63.3 t30 -66.77 -23.1 66.03 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.569 -0.741 . . . . 73.03 111.014 -175.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.412 HE21 ' HB3' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -57.56 -31.14 65.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.292 -0.413 . . . . 70.23 111.315 176.569 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -79.32 -18.72 51.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.056 -0.52 . . . . 75.1 110.317 -178.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.641 ' HD3' ' HA ' ' A' ' 104' ' ' ASN . 11.8 mpt_? -78.93 159.61 27.64 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.036 -0.529 . . . . 62.23 110.109 178.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 136.25 -49.72 0.87 Allowed Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.99 -0.844 . . . . 72.33 110.99 -178.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.583 HG23 ' HA ' ' A' ' 71' ' ' LYS . 4.1 mp -80.28 -39.58 19.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 N-CA-C 108.468 -0.938 . . . . 75.1 108.468 172.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -115.67 147.29 41.01 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 114.871 -1.059 . . . . 72.33 109.522 175.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.539 ' HB3' ' HB ' ' A' ' 74' ' ' ILE . 5.7 t -161.41 140.21 9.83 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.415 -0.587 . . . . 71.22 109.415 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.711 ' H ' ' HZ2' ' A' ' 84' ' ' TRP . 88.2 m-85 -126.29 171.56 10.84 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.118 0.485 . . . . 53.55 111.304 -174.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.424 ' HA ' ' HE2' ' A' ' 83' ' ' PHE . 0.6 OUTLIER -147.41 152.06 37.5 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.12 -1.437 . . . . 63.14 107.12 172.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.402 ' HG2' ' OE2' ' A' ' 113' ' ' GLU . 17.5 ptpt -79.35 81.62 5.6 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-O 121.896 0.855 . . . . 73.33 110.833 -176.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.518 ' O ' ' HA ' ' A' ' 12' ' ' ASP . 60.6 t -100.64 139.44 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 114.99 -1.005 . . . . 63.41 110.715 -176.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.6 tptp -142.43 124.21 15.12 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.12 -0.696 . . . . 75.5 109.12 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -73.43 132.61 43.16 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.794 0.331 . . . . 72.02 110.325 179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -109.36 -37.96 5.61 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.209 -0.45 . . . . 75.33 111.108 -176.295 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 17.7 m -72.98 -32.66 65.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.377 -0.374 . . . . 75.43 111.451 -174.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 135.29 90.09 0.32 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.254 -0.974 . . . . 64.44 113.351 175.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -116.74 131.17 57.02 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 110.364 -0.236 . . . . 62.1 110.364 173.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 64.4 mt-10 -63.19 -41.76 99.24 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.941 0.4 . . . . 74.14 110.788 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -60.43 -39.63 88.14 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.537 -0.756 . . . . 73.41 110.165 -179.096 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -69.26 -48.05 62.87 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.58 -0.736 . . . . 71.25 110.841 178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -67.48 -35.96 80.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.028 -0.533 . . . . 72.21 111.069 -175.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.78 -56.11 25.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 73.42 110.766 -178.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.793 HG11 ' HB2' ' A' ' 25' ' ' ALA . 30.6 m -68.69 -30.9 48.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-O 120.795 0.331 . . . . 61.33 110.794 -178.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -60.23 -45.55 92.83 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.772 -0.649 . . . . 73.02 109.864 174.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 46.6 ttm -64.4 -40.44 95.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.455 -0.793 . . . . 71.24 110.777 177.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -65.35 -42.83 92.42 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 116.375 -0.375 . . . . 72.34 110.077 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . 0.422 ' HB2' ' HB2' ' A' ' 23' ' ' ALA . . . -63.37 -42.74 98.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.359 -0.382 . . . . 61.43 110.652 177.782 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.611 ' HA ' HD12 ' A' ' 135' ' ' LEU . 83.1 mttt -64.64 -35.3 80.58 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.219 -0.446 . . . . 73.03 111.02 177.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 48.8 m -61.24 -39.42 90.23 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.633 0.254 . . . . 62.45 110.447 177.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.5 -21.32 60.44 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.047 -0.524 . . . . 41.22 110.954 178.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 132' ' ' LYS . 66.3 mt -80.28 -16.44 54.67 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.274 0.559 . . . . 64.2 109.607 177.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 91.31 15.9 54.5 Favored Glycine 0 N--CA 1.439 -1.104 0 CA-C-N 115.303 -0.862 . . . . 53.14 111.576 -177.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.508 ' HB ' ' HB3' ' A' ' 132' ' ' LYS . 50.7 mm -78.19 93.74 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-O 121.118 0.485 . . . . 62.34 110.781 -177.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -136.49 -164.45 1.57 Allowed 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.788 -0.819 . . . . 73.04 108.788 174.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -71.23 152.5 43.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.77 0.319 . . . . 73.22 110.336 179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -87.94 -20.16 26.3 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.091 -0.504 . . . . 65.44 111.765 -172.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -70.28 -31.76 69.26 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.422 -0.584 . . . . 70.44 109.422 177.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -61.87 112.89 2.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.324 -0.853 . . . . 71.22 109.618 166.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -78.77 164.77 24.26 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 116.079 -0.51 . . . . 74.13 110.741 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -65.25 107.53 1.62 Allowed 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.118 -0.697 . . . . 74.44 109.118 174.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -74.9 115.46 14.53 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.952 -0.567 . . . . 73.4 111.444 -170.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -68.23 137.9 55.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.531 -0.759 . . . . 63.42 109.73 175.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 60.9 m170 . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.629 -0.701 . . . . 71.22 110.186 177.939 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.6 mtt . . . . . 0 N--CA 1.481 1.098 0 N-CA-C 109.552 -0.536 . . . . 71.52 109.552 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -134.51 -89.07 0.36 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 112.011 0.374 . . . . 60.41 112.011 -173.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 16.7 t0 -166.71 129.01 1.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.563 -0.903 . . . . 63.22 108.563 -173.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 24.5 ptt180 -121.54 10.93 10.52 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.029 -0.532 . . . . 62.23 110.119 -176.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -90.39 127.53 36.22 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-N 115.881 -0.6 . . . . 74.43 112.034 -168.192 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -70.97 127.36 32.33 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 108.651 -0.87 . . . . 74.2 108.651 170.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.585 ' CE1' ' HG2' ' A' ' 28' ' ' LYS . 42.7 m-85 -91.28 133.59 35.29 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 112.537 0.569 . . . . 74.35 112.537 -166.687 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -85.88 89.96 7.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.89 -1.05 . . . . 55.52 109.005 171.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.965 ' HB ' HG22 ' A' ' 74' ' ' ILE . 61.0 t -93.0 134.16 31.79 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.992 0 CA-C-N 116.301 -0.409 . . . . 42.21 109.917 -172.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.9 p90 -111.29 141.91 44.2 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.579 0.704 . . . . 70.04 112.044 -173.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.713 HG22 ' H ' ' A' ' 12' ' ' ASP . 3.6 m -143.91 -171.42 3.54 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 106.76 -1.57 . . . . 71.24 106.76 172.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.713 ' H ' HG22 ' A' ' 11' ' ' THR . 24.8 t70 -81.47 153.11 27.03 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.081 -0.711 . . . . 73.12 109.081 173.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -67.78 -32.69 78.39 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.057 -0.592 . . . . 74.33 114.271 -173.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 p -143.48 172.52 12.67 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 117.421 0.61 . . . . 74.21 111.945 -172.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -73.84 131.81 41.9 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.006 -0.739 . . . . 73.3 109.006 175.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.65 HG22 HD22 ' A' ' 17' ' ' ASN . 9.3 p -99.24 131.0 47.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.192 0.52 . . . . 72.1 111.047 -173.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.65 HD22 HG22 ' A' ' 16' ' ' VAL . 52.2 m-80 57.99 26.97 14.13 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.467 -0.788 . . . . 74.4 111.599 -177.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 80.77 3.0 90.43 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 121.026 -0.607 . . . . 53.13 113.044 178.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.575 ' HB3' HD22 ' A' ' 135' ' ' LEU . 18.7 mm-40 -103.12 143.24 32.86 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.042 0.449 . . . . 60.15 110.872 -178.718 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 17.3 p90 -128.33 146.38 50.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.812 -0.631 . . . . 73.24 111.117 -177.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.47 ' HB1' ' O ' ' A' ' 38' ' ' ASP . . . -152.69 166.14 33.08 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.523 -0.762 . . . . 72.0 109.238 179.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 38.8 p-90 -98.65 130.75 45.17 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.512 -0.475 . . . . 63.42 109.842 179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.35 145.43 6.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.161 -0.472 . . . . 73.32 110.905 -177.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.419 ' HB2' ' CG1' ' A' ' 9' ' ' VAL . 44.2 p90 -167.28 140.23 3.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.941 -0.572 . . . . 73.14 109.698 174.006 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.477 ' HB2' ' HB3' ' A' ' 35' ' ' GLU . . . -108.51 116.7 32.46 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.295 -0.411 . . . . 74.41 110.269 178.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 18.2 p90 -84.59 107.89 17.05 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.864 0.84 . . . . 72.45 111.313 -176.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 1.6 p -92.65 129.89 42.54 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 114.781 -1.1 . . . . 71.02 110.462 177.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.585 ' HG2' ' CE1' ' A' ' 7' ' ' TYR . 25.6 mtpp -134.6 127.57 31.47 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.9 -0.591 . . . . 70.33 110.223 -176.751 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.0 t70 63.98 24.88 13.74 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.752 -0.658 . . . . 74.13 111.099 177.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.62 -15.82 61.4 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.734 -0.746 . . . . 54.44 113.091 175.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.9 ptpt -112.74 161.13 17.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.059 0.457 . . . . 73.44 110.75 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 46.3 t -106.67 126.51 62.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.806 0 CA-C-N 116.092 -0.504 . . . . 73.04 109.939 -178.637 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 33.3 m-70 -83.91 -59.02 2.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.5 -0.318 . . . . 63.11 111.19 -177.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 88.2 m-85 -139.66 145.91 39.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.644 0.259 . . . . 73.22 111.326 -178.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.477 ' HB3' ' HB2' ' A' ' 25' ' ' ALA . 0.0 OUTLIER -139.83 132.92 29.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.775 -0.648 . . . . 70.54 110.489 174.628 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.561 ' HB2' ' HB ' ' A' ' 51' ' ' VAL . 34.3 t0 -162.42 171.32 17.32 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.817 -0.438 . . . . 72.24 109.817 -179.084 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -148.94 152.37 36.25 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.361 -0.381 . . . . 71.11 110.524 -178.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.47 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 22.6 t70 -147.28 157.2 43.5 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.473 -0.33 . . . . 64.43 110.4 176.778 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.7 m -106.9 130.34 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.498 0 CA-C-O 121.288 0.565 . . . . 73.12 111.674 -176.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.63 -164.03 28.88 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.89 -0.671 . . . . 70.03 112.333 178.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -141.13 112.52 7.45 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 122.173 0.189 . . . . 75.02 110.782 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.582 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 87.5 m-20 -130.13 142.07 44.11 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-O 120.735 0.302 . . . . 62.3 110.369 176.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.474 ' HD3' ' HA ' ' A' ' 42' ' ' ASN . 6.8 Cg_exo -75.77 -55.55 0.07 OUTLIER 'Trans proline' 0 C--O 1.234 0.305 0 C-N-CA 123.174 2.583 . . . . 63.03 112.943 -179.454 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.21 -24.51 47.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.18 0.514 . . . . 73.13 110.986 -177.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.582 ' HB3' ' HB2' ' A' ' 42' ' ' ASN . . . -86.79 8.93 20.69 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.813 -0.631 . . . . 62.12 111.414 -177.843 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -48.59 -27.27 2.68 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 112.874 0.694 . . . . 71.22 112.874 -178.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.414 HG22 ' HA2' ' A' ' 53' ' ' GLY . 16.0 p -80.87 -59.61 2.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.96 0.41 . . . . 74.02 110.179 174.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.486 ' HA ' ' CE ' ' A' ' 48' ' ' MET . 2.5 tpt 68.14 -68.54 0.17 Allowed 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 124.692 1.197 . . . . 72.14 112.435 170.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.408 HH11 ' HD2' ' A' ' 49' ' ' ARG . 13.9 mtm180 -104.95 -85.59 0.48 Allowed 'General case' 0 C--N 1.317 -0.84 0 CA-C-N 116.356 -0.384 . . . . 75.11 111.219 -172.14 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 24.9 p-10 -165.49 -53.56 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.617 0.246 . . . . 64.31 110.995 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.561 ' HB ' ' HB2' ' A' ' 36' ' ' ASP . 36.9 t -73.88 -39.8 52.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 120.864 0.364 . . . . 72.22 110.076 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -57.64 -23.61 52.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.975 -0.557 . . . . 71.33 111.083 174.038 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.414 ' HA2' HG22 ' A' ' 47' ' ' THR . . . -62.34 -37.13 94.09 Favored Glycine 0 N--CA 1.448 -0.528 0 C-N-CA 120.775 -0.726 . . . . 34.14 111.701 175.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 -72.24 -36.93 69.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.186 0.517 . . . . 73.33 109.795 175.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 69.1 mt -63.19 -38.18 81.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.401 -0.818 . . . . 73.45 110.969 179.177 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.31 -35.73 67.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.33 -0.395 . . . . 41.4 111.215 178.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -77.89 -39.72 42.2 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.231 -0.44 . . . . 73.1 110.8 177.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.69 -31.22 72.34 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.034 -0.53 . . . . 73.51 110.926 179.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 37.2 tp -63.57 -34.32 77.54 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.113 -0.494 . . . . 63.22 110.68 177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -68.04 -31.01 70.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 73.3 109.784 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -66.77 -31.09 71.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 63.31 110.183 175.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.471 HG11 ' HB2' ' A' ' 110' ' ' TYR . 43.5 t -72.15 -36.36 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.964 -0.562 . . . . 54.11 109.965 176.812 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 63' ' ' LYS . 1.2 tmtp? -61.83 -40.29 94.76 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.263 -0.643 . . . . 75.24 109.263 175.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 21.8 ttmm -62.69 -31.51 72.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.579 -0.737 . . . . 75.41 111.379 178.418 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.98 -28.43 64.37 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.093 0.405 . . . . 74.14 112.093 -176.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 83.1 p -61.36 -34.62 75.6 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.864 0.364 . . . . 71.13 110.779 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.9 mt-30 -70.01 -38.29 75.91 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.916 -0.584 . . . . 64.33 110.932 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 8.7 mp -79.19 -25.22 42.76 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.11 -0.496 . . . . 73.11 110.763 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 87.76 25.7 31.67 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.888 -0.673 . . . . 74.31 112.065 178.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.1 m -112.03 143.12 22.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 120.808 0.337 . . . . 74.12 110.154 179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 78.6 mttt -119.59 153.8 34.91 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.351 -0.386 . . . . 72.14 110.089 -177.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.777 HD11 ' HD1' ' A' ' 110' ' ' TYR . 2.7 pp -114.52 146.15 19.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 N-CA-C 109.502 -0.555 . . . . 74.02 109.502 177.863 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -112.3 102.6 10.74 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-O 120.881 0.372 . . . . 65.03 111.469 -175.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.965 HG22 ' HB ' ' A' ' 9' ' ' VAL . 2.3 pp -84.95 128.32 39.08 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.452 0 N-CA-C 108.763 -0.828 . . . . 71.14 108.763 171.587 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 76' ' ' HIS . 96.1 mt 60.26 26.76 16.25 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.873 0.368 . . . . 52.25 110.583 -176.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.481 ' HB2' ' O ' ' A' ' 75' ' ' LEU . 2.8 m-70 74.78 -176.65 0.15 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.416 -0.811 . . . . 74.52 111.664 -177.838 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -86.65 113.15 22.29 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.885 -0.413 . . . . 74.14 109.885 -174.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.559 ' HB3' ' HG3' ' A' ' 113' ' ' GLU . 10.1 t80 -115.1 156.39 25.3 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.242 -0.435 . . . . 72.54 110.942 -173.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -84.61 -13.93 50.22 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.138 -0.483 . . . . 75.03 112.188 -176.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.608 ' HA2' ' HD2' ' A' ' 83' ' ' PHE . . . -63.8 -12.9 49.92 Favored Glycine 0 CA--C 1.52 0.358 0 C-N-CA 121.302 -0.475 . . . . 70.43 113.651 -174.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.485 HG13 ' HD3' ' A' ' 107' ' ' ARG . 11.3 tt -58.31 -34.18 49.45 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.351 0 CA-C-O 120.862 0.363 . . . . 74.31 111.506 -179.174 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -83.01 -13.35 56.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.873 0.368 . . . . 63.11 110.918 -178.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.608 ' HD2' ' HA2' ' A' ' 80' ' ' GLY . 95.9 m-85 -93.6 6.24 48.91 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.265 -0.425 . . . . 63.15 110.997 -178.086 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 45.2 m95 -73.98 -45.8 47.82 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.981 -0.288 . . . . 74.33 110.654 174.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.497 ' HB1' ' HB1' ' A' ' 100' ' ' ALA . . . -63.68 -43.54 96.36 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.974 -0.557 . . . . 63.04 111.185 -177.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 72.2 p -92.21 -11.18 36.13 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.263 -0.426 . . . . 71.2 111.3 -177.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -89.75 -30.72 12.51 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 121.142 -0.552 . . . . 74.34 112.448 -178.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.647 ' HB3' ' HE2' ' A' ' 99' ' ' TYR . 26.4 mm-40 -68.37 -58.22 4.7 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 109.738 -0.468 . . . . 62.04 109.738 174.199 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 32.7 t-105 -163.46 126.17 2.6 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 108.346 -0.983 . . . . 74.51 108.346 174.204 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.6 ttmt -63.52 122.22 15.77 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.963 0.411 . . . . 73.05 111.052 -176.178 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.631 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -76.04 91.27 3.08 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.714 -0.675 . . . . 72.54 110.742 -178.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -78.13 -33.11 50.66 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.478 0.656 . . . . 71.31 110.226 177.454 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -125.74 169.77 12.24 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.369 -0.832 . . . . 75.32 109.192 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.777 ' HA ' ' HB2' ' A' ' 97' ' ' GLN . 45.4 mt-10 -69.11 -26.55 64.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.8 0.334 . . . . 73.32 110.38 176.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 87.3 t80 -56.11 -47.83 77.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.937 -0.574 . . . . 72.25 109.653 170.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.631 ' HB ' ' HA ' ' A' ' 91' ' ' ALA . 0.6 OUTLIER -71.6 -34.62 70.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.683 -0.69 . . . . 74.24 110.47 177.302 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.777 ' HB2' ' HA ' ' A' ' 94' ' ' GLU . 24.0 mt-30 -58.64 -32.22 68.85 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.87 -0.604 . . . . 61.24 111.611 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -56.28 -35.21 67.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.893 0.377 . . . . 71.41 111.087 177.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.647 ' HE2' ' HB3' ' A' ' 88' ' ' GLU . 56.2 t80 -74.02 -41.84 61.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.007 -0.542 . . . . 75.01 110.575 179.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.497 ' HB1' ' HB1' ' A' ' 85' ' ' ALA . . . -70.22 -36.41 74.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.088 -0.506 . . . . 60.21 110.812 179.664 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.404 ' HB2' ' HE3' ' A' ' 101' ' ' LYS . 33.5 ttmt -69.19 -28.47 66.42 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.762 -0.654 . . . . 55.11 110.315 179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 8.5 tt -59.47 -42.55 92.29 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.158 -0.682 . . . . 73.1 109.158 174.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.442 ' O ' ' HG2' ' A' ' 107' ' ' ARG . 21.3 mmt -69.97 -45.72 66.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.768 -0.651 . . . . 65.12 110.727 176.195 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -56.7 -35.35 68.38 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 116.027 -0.533 . . . . 72.54 111.063 -178.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.431 ' HB3' HE21 ' A' ' 105' ' ' GLN . 3.7 tt0 -53.72 -41.31 66.87 Favored 'General case' 0 N--CA 1.445 -0.721 0 CA-C-N 115.58 -0.737 . . . . 75.01 111.897 177.354 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.444 ' HE2' ' HD2' ' A' ' 110' ' ' TYR . 57.7 t80 -95.06 -23.55 17.29 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.304 -0.407 . . . . 72.12 111.619 -176.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.504 ' NH2' ' HA ' ' A' ' 111' ' ' SER . 11.8 mmp_? -64.35 143.12 58.13 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.856 0.36 . . . . 75.41 110.608 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 137.87 -81.47 0.28 Allowed Glycine 0 N--CA 1.445 -0.734 0 C-N-CA 120.46 -0.876 . . . . 72.23 112.294 178.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.779 HD13 ' H ' ' A' ' 109' ' ' ILE . 0.2 OUTLIER -78.99 -29.76 14.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 111.634 0.235 . . . . 73.44 111.634 -177.212 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.777 ' HD1' HD11 ' A' ' 72' ' ' ILE . 83.8 t80 -139.49 144.01 37.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.183 0.516 . . . . 62.23 111.001 179.259 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.504 ' HA ' ' NH2' ' A' ' 107' ' ' ARG . 33.6 m -156.36 170.89 21.24 Favored 'General case' 0 C--N 1.321 -0.674 0 N-CA-C 108.43 -0.952 . . . . 61.01 108.43 177.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 50.8 t80 -126.74 136.87 53.01 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 107.591 -1.262 . . . . 75.12 107.591 171.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.559 ' HG3' ' HB3' ' A' ' 78' ' ' TYR . 17.0 mm-40 -132.3 153.93 50.2 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 113.493 0.923 . . . . 74.42 113.493 -171.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.759 ' HE3' ' H ' ' A' ' 114' ' ' LYS . 0.0 OUTLIER -105.36 97.41 7.25 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 113.89 -1.505 . . . . 64.22 109.121 -177.242 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 25.4 m -108.63 145.68 15.27 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-O 121.264 0.554 . . . . 74.04 110.912 -175.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.404 ' HA ' ' HD2' ' A' ' 116' ' ' LYS . 42.1 tptt -102.73 84.75 2.45 Favored 'General case' 0 C--N 1.317 -0.814 0 N-CA-C 108.759 -0.83 . . . . 74.1 108.759 175.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -131.49 153.15 50.08 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.957 -0.565 . . . . 64.51 111.321 -174.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 17.7 t-80 -119.15 15.62 13.2 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 121.76 0.79 . . . . 74.32 108.932 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.9 t -86.81 35.19 0.67 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.193 -0.912 . . . . 74.4 110.664 -179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -58.87 106.54 0.91 Allowed Glycine 0 N--CA 1.446 -0.694 0 N-CA-C 111.652 -0.579 . . . . 72.4 111.652 177.209 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -72.81 163.43 28.14 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-N 115.723 -0.238 . . . . 72.24 110.497 -178.391 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -65.68 -25.27 67.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.618 0.247 . . . . 64.34 111.471 -177.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 65.9 m-85 -70.81 -26.72 63.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 72.44 111.063 176.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -59.14 -27.57 65.76 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.137 -0.483 . . . . 50.35 111.461 -176.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -54.13 -31.96 53.82 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.347 0.404 . . . . 71.54 111.355 -178.45 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -69.45 -54.24 15.27 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.46 -0.336 . . . . 71.32 111.249 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.412 HG11 ' HA ' ' A' ' 11' ' ' THR . 12.4 p -68.34 -26.69 34.41 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 120.972 0.415 . . . . 53.42 110.233 179.531 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -65.41 -54.89 22.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.897 -0.592 . . . . 70.42 111.075 177.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 26.2 ptt? -61.59 -33.1 73.3 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.753 0.311 . . . . 75.34 110.645 -179.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 31.8 mmtp -68.65 -50.63 49.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.323 -0.399 . . . . 64.1 110.683 178.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -64.35 -46.45 83.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.354 -0.385 . . . . 63.52 111.356 -178.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.42 ' HE3' HG21 ' A' ' 16' ' ' VAL . 46.7 mttp -60.01 -45.64 92.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.353 -0.385 . . . . 73.23 111.747 -179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 8.7 t -65.39 -34.81 79.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.616 0.246 . . . . 74.32 110.619 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.08 -24.21 64.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.313 -0.403 . . . . 51.14 111.165 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.575 HD22 ' HB3' ' A' ' 19' ' ' GLN . 96.6 mt -92.91 3.94 54.81 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.067 -0.515 . . . . 62.25 110.115 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 81.15 12.38 82.44 Favored Glycine 0 N--CA 1.445 -0.743 0 CA-C-N 115.617 -0.72 . . . . 75.24 112.645 177.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 63.9 mt -87.77 122.24 39.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-O 120.94 0.4 . . . . 72.44 110.579 -177.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.89 171.2 14.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.172 -0.467 . . . . 74.53 110.167 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -72.7 113.81 10.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.264 0.554 . . . . 44.44 111.163 -177.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 80.9 mt -93.56 -24.66 17.87 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.285 -0.871 . . . . 64.41 111.996 -179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -138.46 -19.89 1.07 Allowed 'General case' 0 CA--C 1.533 0.293 0 N-CA-C 114.74 1.385 . . . . 64.11 114.74 -163.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 65.1 m-70 -75.72 89.62 2.83 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.42 0.628 . . . . 74.2 110.902 -171.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 13.7 p80 -102.19 160.93 14.09 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.551 -0.749 . . . . 65.3 110.302 -178.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 11.2 t-160 70.55 -55.46 0.63 Allowed 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.75 0.82 . . . . 64.12 110.074 -169.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 63.8 t60 -78.37 81.51 4.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.025 -0.731 . . . . 73.32 109.025 174.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 10.7 t60 -173.23 -38.23 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 108.062 -1.088 . . . . 64.05 108.062 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 29.1 p80 . . . . . 0 C--O 1.247 0.936 0 CA-C-N 115.08 -0.964 . . . . 75.52 108.974 171.736 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.8 ttm . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.932 0.396 . . . . 63.11 109.953 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -131.3 -56.78 1.02 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.959 -0.564 . . . . 72.12 110.708 -176.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 59.54 95.99 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 O-C-N 124.069 0.856 . . . . 65.43 110.309 -175.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 42.4 mtm180 -128.09 8.59 6.16 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.065 -0.516 . . . . 72.43 112.116 -170.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.0 t -145.19 118.86 9.16 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.921 0.391 . . . . 72.13 111.446 -179.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 59.47 98.36 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.592 -0.731 . . . . 75.0 111.921 -178.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.74 ' HB2' HG22 ' A' ' 72' ' ' ILE . 93.2 m-85 -92.15 157.52 16.67 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.833 -0.621 . . . . 74.51 110.844 -178.075 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -92.61 116.67 29.21 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.713 -0.676 . . . . 74.3 111.028 -177.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.405 ' HB ' HD13 ' A' ' 72' ' ' ILE . 88.5 t -125.88 111.96 28.77 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 N-CA-C 109.176 -0.676 . . . . 62.42 109.176 173.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.52 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 90.4 m-85 -97.33 148.87 22.7 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-O 121.029 0.443 . . . . 75.31 110.91 -176.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.727 ' HB ' HD12 ' A' ' 75' ' ' LEU . 13.9 m -151.07 137.73 18.81 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.691 -0.686 . . . . 72.0 109.233 177.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.401 ' HB2' HD21 ' A' ' 124' ' ' ASN . 31.1 t70 -163.03 77.24 0.44 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.282 -0.636 . . . . 73.52 109.282 176.164 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.78 ' HA2' ' HA ' ' A' ' 115' ' ' VAL . . . 107.37 156.17 19.98 Favored Glycine 0 N--CA 1.446 -0.644 0 CA-C-N 115.617 -0.72 . . . . 64.55 112.218 -177.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.475 ' H ' HG22 ' A' ' 115' ' ' VAL . 70.0 m -158.48 -51.13 0.06 Allowed 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.178 -0.675 . . . . 71.1 109.178 177.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.78 ' HB3' ' HD1' ' A' ' 20' ' ' TYR . 39.1 p90 -110.57 164.19 12.97 Favored 'General case' 0 N--CA 1.448 -0.536 0 CA-C-N 115.766 -0.652 . . . . 71.32 109.357 173.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.583 HG22 HD22 ' A' ' 17' ' ' ASN . 5.8 p -142.57 111.73 2.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 CA-C-O 121.172 0.51 . . . . 72.44 109.847 174.336 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.583 HD22 HG22 ' A' ' 16' ' ' VAL . 65.0 m-80 57.74 36.36 26.46 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 115.699 -0.682 . . . . 64.32 111.659 -178.228 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.2 -26.26 25.25 Favored Glycine 0 N--CA 1.451 -0.317 0 CA-C-N 115.93 -0.577 . . . . 62.3 114.384 172.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.504 ' HG2' ' O ' ' A' ' 16' ' ' VAL . 4.6 pt20 -82.49 126.39 32.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 118.221 1.01 . . . . 54.23 109.002 176.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.78 ' HD1' ' HB3' ' A' ' 15' ' ' TYR . 73.2 t80 -116.25 137.34 52.22 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.483 0.659 . . . . 71.33 112.356 -167.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -131.07 151.57 51.29 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.21 -1.033 . . . . 74.21 108.21 169.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.651 ' HZ2' ' HG3' ' A' ' 49' ' ' ARG . 27.4 p-90 -100.15 128.61 46.2 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.072 -0.651 . . . . 75.22 110.1 179.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.524 ' HB2' ' HB1' ' A' ' 37' ' ' ALA . . . -154.69 135.45 13.61 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.496 -0.774 . . . . 52.01 110.33 -176.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 82.8 m-85 -146.32 138.05 24.8 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.336 -0.616 . . . . 73.13 109.336 178.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . . . -91.29 101.26 13.96 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.055 0.455 . . . . 63.22 110.672 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -93.33 100.16 12.55 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.675 -0.693 . . . . 65.33 109.19 174.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 31' ' ' LYS . 2.4 p -127.81 128.01 68.84 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 CA-C-N 115.612 -0.722 . . . . 73.45 111.112 -172.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 30.8 ttmt -106.99 128.31 54.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.996 -0.547 . . . . 55.44 110.157 177.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.8 t70 66.89 11.37 8.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.705 -0.68 . . . . 71.22 111.685 172.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 93.0 14.21 55.18 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.66 -0.781 . . . . 65.14 113.123 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.464 ' HG3' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -126.91 138.75 53.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.177 0.513 . . . . 65.41 110.58 175.866 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.3 t -90.85 123.96 43.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.923 -0.58 . . . . 65.22 110.58 -176.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -75.84 -40.72 54.29 Favored 'General case' 0 CA--C 1.533 0.317 0 N-CA-C 112.076 0.399 . . . . 75.23 112.076 -177.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 72.9 m-85 -144.82 147.13 32.51 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.75 -0.463 . . . . 73.04 109.75 -178.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -109.06 120.9 43.91 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.389 -0.369 . . . . 33.14 111.125 -177.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -174.34 173.08 3.08 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-O 121.184 0.516 . . . . 75.21 111.574 173.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.524 ' HB1' ' HB2' ' A' ' 23' ' ' ALA . . . 175.09 103.06 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 124.968 1.307 . . . . 73.41 107.723 -174.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -112.02 168.01 9.93 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.243 -0.583 . . . . 61.33 111.972 -167.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 25.9 m -102.79 -176.33 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.496 0 CA-C-N 115.675 -0.693 . . . . 64.4 110.642 -178.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 70.67 51.13 21.72 Favored Glycine 0 N--CA 1.449 -0.47 0 C-N-CA 120.756 -0.735 . . . . 73.03 112.191 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -66.73 95.18 0.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.113 0.483 . . . . 71.3 109.934 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.451 ' HB2' ' HB3' ' A' ' 45' ' ' ALA . 49.3 m-80 -145.85 148.19 35.15 Favored Pre-proline 0 C--N 1.326 -0.431 0 N-CA-C 108.92 -0.77 . . . . 60.15 108.92 179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -47.18 -49.05 13.5 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.991 2.461 . . . . 73.0 113.047 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -78.57 -41.51 31.75 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.874 0.368 . . . . 75.54 111.124 -178.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' ' 42' ' ' ASN . . . -66.56 -41.61 88.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 63.43 111.821 -175.094 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -68.12 -34.88 77.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.508 -0.315 . . . . 71.14 110.892 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 59.8 m -71.29 -26.47 62.88 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.203 0.525 . . . . 64.45 110.368 177.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 70.9 mtm -88.05 29.0 0.97 Allowed 'General case' 0 C--O 1.234 0.26 0 CA-C-O 121.215 0.531 . . . . 70.15 110.973 178.132 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.651 ' HG3' ' HZ2' ' A' ' 22' ' ' TRP . 2.2 mmp_? -108.52 130.82 55.27 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.263 -0.643 . . . . 72.21 109.263 173.545 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -70.05 -26.31 63.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.324 0.583 . . . . 54.42 110.382 -179.171 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.2 t -72.59 -29.36 30.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.768 -0.651 . . . . 72.44 110.497 177.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.465 ' HB2' ' HB2' ' A' ' 49' ' ' ARG . . . -63.88 -15.04 58.03 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.575 -0.739 . . . . 73.33 112.875 -172.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -52.04 -49.24 50.06 Favored Glycine 0 CA--C 1.521 0.417 0 C-N-CA 121.114 -0.565 . . . . 72.44 112.533 -179.61 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -71.49 -31.86 67.59 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.807 0.336 . . . . 71.33 110.527 178.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 46.5 mm -62.19 -44.54 99.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.047 -0.524 . . . . 74.31 110.219 -179.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.18 -39.61 93.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.85 -0.614 . . . . 63.23 110.564 177.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.44 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . . . -63.53 -38.93 93.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 62.4 110.554 178.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.425 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -64.31 -34.72 78.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 44.31 110.715 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 8.7 tt -59.34 -44.76 92.61 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.111 -0.495 . . . . 74.32 109.686 177.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.44 ' CD2' ' HA ' ' A' ' 57' ' ' ALA . 17.2 m-85 -65.48 -39.65 92.19 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.102 -0.499 . . . . 75.25 110.222 179.596 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.66 -46.94 87.6 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.84 -0.618 . . . . 75.12 111.013 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 58' ' ' ALA . 94.8 t -64.78 -36.55 77.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.075 0.464 . . . . 54.31 110.441 179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 53.2 tttm -65.3 -38.32 89.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.902 -0.59 . . . . 72.11 110.39 179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -70.86 -38.05 73.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.074 -0.512 . . . . 74.1 110.665 176.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.415 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -56.86 -32.02 65.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.271 -0.422 . . . . 62.04 110.983 179.418 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 23.2 t -60.01 -34.55 73.5 Favored 'General case' 0 CA--C 1.533 0.309 0 CA-C-N 115.743 -0.662 . . . . 72.24 110.788 178.296 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -76.72 -38.83 53.61 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 120.888 0.375 . . . . 71.34 110.813 179.323 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.6 mp -72.7 -13.77 61.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.299 -0.41 . . . . 71.13 110.936 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.19 27.4 44.77 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 120.835 -0.697 . . . . 65.42 112.179 177.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.415 HG23 ' HB1' ' A' ' 65' ' ' ALA . 30.9 m -126.01 173.01 12.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 110.079 -0.341 . . . . 54.31 110.079 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.542 ' HB2' ' HA ' ' A' ' 109' ' ' ILE . 0.0 OUTLIER -153.26 -173.18 4.48 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.879 0.371 . . . . 75.53 110.48 179.462 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.74 HG22 ' HB2' ' A' ' 7' ' ' TYR . 2.8 pp -108.43 162.32 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.815 -0.629 . . . . 75.11 109.388 173.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 26.6 tpt180 -77.83 115.59 17.7 Favored 'General case' 0 C--N 1.322 -0.6 0 C-N-CA 120.234 -0.586 . . . . 73.4 110.011 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.524 HG22 ' HA ' ' A' ' 111' ' ' SER . 2.4 pp -76.75 129.9 36.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.819 -0.628 . . . . 72.21 111.182 -177.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.727 HD12 ' HB ' ' A' ' 11' ' ' THR . 8.0 tp 53.88 -154.17 0.26 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.028 -0.533 . . . . 74.24 109.943 178.386 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.571 ' H ' ' HG ' ' A' ' 75' ' ' LEU . 59.4 t-80 -87.24 -62.83 1.41 Allowed 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 107.743 -1.206 . . . . 74.33 107.743 166.574 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 178.29 136.62 0.08 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 114.56 -1.2 . . . . 55.21 108.469 173.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.707 ' HB3' HG23 ' A' ' 81' ' ' ILE . 0.5 OUTLIER -165.65 144.72 6.28 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 121.032 -0.267 . . . . 73.23 110.554 -175.692 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -93.29 -30.17 15.29 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.044 0.449 . . . . 74.1 110.388 176.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -71.2 -3.83 54.07 Favored Glycine 0 CA--C 1.52 0.396 0 CA-C-N 115.579 -0.737 . . . . 73.32 113.394 -177.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.707 HG23 ' HB3' ' A' ' 78' ' ' TYR . 2.8 pp -66.7 -20.4 27.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.994 0.397 . . . . 73.43 111.697 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.402 ' N ' HD12 ' A' ' 81' ' ' ILE . . . -75.49 11.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 111.793 0.294 . . . . 51.55 111.793 -176.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -56.96 -37.46 71.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.452 -0.34 . . . . 53.34 111.584 -177.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.45 ' CZ3' ' HB2' ' A' ' 85' ' ' ALA . 4.0 p-90 -65.68 -22.32 66.62 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 111.761 0.282 . . . . 75.3 111.761 -178.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.45 ' HB2' ' CZ3' ' A' ' 84' ' ' TRP . . . -81.06 -25.76 36.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.042 0.449 . . . . 40.2 110.36 -179.517 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 33.1 p -91.86 -4.09 55.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.9 -0.591 . . . . 73.5 110.206 176.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.59 97.79 1.51 Allowed Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.81 -0.709 . . . . 71.05 112.719 179.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -71.54 -16.76 62.33 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.571 0.7 . . . . 73.55 109.754 173.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 55.6 t-105 -138.85 159.12 42.9 Favored 'General case' 0 C--N 1.324 -0.535 0 N-CA-C 107.813 -1.181 . . . . 72.14 107.813 176.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -62.97 112.69 2.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.05 0.453 . . . . 51.4 110.843 -178.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -92.41 98.24 11.36 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.716 -0.674 . . . . 74.11 110.907 -179.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -90.79 -27.82 18.64 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.719 0.771 . . . . 75.14 108.951 176.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -92.92 143.68 26.01 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 114.68 -1.145 . . . . 74.24 110.162 -178.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -62.16 -36.42 81.78 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.216 -0.447 . . . . 74.04 110.846 -177.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -64.21 -38.43 91.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.987 -0.551 . . . . 54.31 110.967 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 7.2 m -61.67 -41.5 97.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.877 0.37 . . . . 73.52 110.765 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -59.31 -42.16 90.72 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.052 -0.522 . . . . 64.12 110.828 174.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.11 92.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.971 -0.558 . . . . 63.22 110.951 178.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.453 ' O ' ' HG3' ' A' ' 103' ' ' MET . 24.4 m-85 -56.77 -42.62 79.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.343 -0.389 . . . . 71.15 110.986 176.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.56 -44.62 86.2 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.007 -0.542 . . . . 74.43 111.421 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 12.3 mmtm -68.79 -37.47 79.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.397 -0.365 . . . . 74.42 111.211 -179.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.471 ' O ' HD23 ' A' ' 102' ' ' LEU . 3.7 tt -59.93 -32.86 71.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.903 -0.589 . . . . 74.02 110.5 -178.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.502 ' O ' ' HG2' ' A' ' 107' ' ' ARG . 63.4 mtt -54.71 -41.19 70.0 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.049 -0.523 . . . . 74.42 111.342 -178.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -53.29 -30.33 38.13 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.678 -0.692 . . . . 73.03 112.295 -169.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -48.29 82.24 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.334 -0.394 . . . . 74.03 111.191 -179.427 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.461 ' CZ ' ' HA ' ' A' ' 103' ' ' MET . 28.6 p90 -97.85 -13.54 21.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.796 0.331 . . . . 75.01 111.497 -176.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.502 ' HG2' ' O ' ' A' ' 103' ' ' MET . 27.1 mmt180 -68.71 133.87 49.01 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.341 -0.615 . . . . 74.14 109.341 173.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 122.22 -21.01 7.87 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.407 -0.901 . . . . 71.45 111.851 -179.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.542 ' HA ' ' HB2' ' A' ' 71' ' ' LYS . 51.6 mt -79.02 -29.24 13.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.346 0.594 . . . . 64.45 109.967 177.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 37.5 p90 -127.17 156.6 41.54 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.516 -0.765 . . . . 71.24 109.599 178.417 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.524 ' HA ' HG22 ' A' ' 74' ' ' ILE . 15.5 t -74.18 155.66 38.14 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.964 0.411 . . . . 64.14 110.51 -175.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.447 ' HE1' ' HD2' ' A' ' 107' ' ' ARG . 36.6 m-85 -103.07 151.78 22.14 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.136 -0.483 . . . . 70.31 110.407 -176.008 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -96.17 98.38 10.28 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.861 0.839 . . . . 65.4 110.756 -179.752 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -131.66 143.87 50.61 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.287 -0.869 . . . . 75.21 109.207 178.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . 0.78 ' HA ' ' HA2' ' A' ' 13' ' ' GLY . 95.8 t -95.89 121.46 46.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 121.291 0.567 . . . . 62.21 111.592 -176.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.413 ' HA ' ' HD3' ' A' ' 116' ' ' LYS . 30.7 mmtm -147.56 172.21 14.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.641 -1.163 . . . . 75.33 107.92 172.428 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -140.44 40.66 1.9 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 120.898 0.38 . . . . 60.21 110.602 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 24.6 p-80 -143.25 4.91 1.43 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.386 -0.37 . . . . 61.01 110.934 177.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -110.66 2.49 18.59 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.622 0.725 . . . . 75.43 109.385 179.296 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . 0.591 ' HA2' ' ND2' ' A' ' 124' ' ' ASN . . . -81.29 90.67 1.42 Allowed Glycine 0 N--CA 1.439 -1.109 0 CA-C-N 114.918 -1.037 . . . . 73.3 112.614 -178.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 22.1 m120 -64.84 173.94 2.07 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.73 -0.47 . . . . 62.42 109.73 173.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -45.33 -53.79 8.04 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.995 0.739 . . . . 72.15 112.995 -174.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -76.42 -26.84 55.94 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.336 -0.393 . . . . 64.1 111.55 -177.29 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.591 ' ND2' ' HA2' ' A' ' 120' ' ' GLY . 51.2 t30 -76.33 -42.27 45.55 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.952 0.406 . . . . 71.35 110.719 -177.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -66.52 -28.26 68.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.146 0.498 . . . . 72.54 110.518 179.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.412 ' O ' ' HB3' ' A' ' 129' ' ' MET . 53.6 t80 -64.32 -32.17 73.67 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.901 -0.591 . . . . 65.21 110.805 178.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.446 HG21 ' HB2' ' A' ' 25' ' ' ALA . 44.2 t -65.51 -44.12 94.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.975 0.417 . . . . 72.35 109.909 177.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -63.22 -30.71 71.8 Favored 'General case' 0 C--O 1.237 0.418 0 CA-C-N 115.925 -0.58 . . . . 42.02 110.649 176.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.579 ' HA ' ' NH1' ' A' ' 138' ' ' ARG . 49.4 ttm -58.84 -39.79 82.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.853 -0.612 . . . . 74.21 110.493 178.498 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 37' ' ' ALA . 11.9 tmtt? -78.73 -36.93 42.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.515 -0.311 . . . . 73.21 110.22 176.575 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -65.29 -52.08 56.53 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 112.662 0.616 . . . . 63.32 112.662 -174.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 37.7 mttp -66.16 -30.89 71.45 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.77 0.319 . . . . 74.13 111.247 -177.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 55.6 m -71.32 -29.08 64.58 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 120.887 0.375 . . . . 64.34 110.87 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.61 -20.76 65.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.201 0.524 . . . . 54.52 110.223 175.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 85.8 mt -88.37 -7.1 57.2 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.606 -0.724 . . . . 73.03 109.836 177.366 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 96.02 18.04 33.02 Favored Glycine 0 N--CA 1.447 -0.631 0 C-N-CA 120.898 -0.668 . . . . 62.12 112.853 179.06 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.65 ' O ' ' HG2' ' A' ' 138' ' ' ARG . 61.3 mt -102.09 139.95 21.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 122.809 -0.23 . . . . 75.01 110.931 -178.312 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.65 ' HG2' ' O ' ' A' ' 137' ' ' ILE . 7.1 ptp85 70.34 142.91 0.05 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.252 1.421 . . . . 73.4 113.02 175.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 57.24 168.35 0.04 OUTLIER 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 114.294 -1.321 . . . . 73.31 112.003 -178.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 91.2 mt -83.53 -47.9 10.83 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 112.509 0.559 . . . . 62.25 112.509 -174.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -140.01 -37.53 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 113.409 0.892 . . . . 73.21 113.409 -171.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -127.3 121.32 30.77 Favored 'General case' 0 C--N 1.328 -0.34 0 O-C-N 122.215 -0.303 . . . . 73.35 110.698 -173.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -71.74 60.42 0.36 Allowed 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 121.743 0.782 . . . . 73.24 111.41 -179.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -141.57 10.7 2.06 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 107.821 -1.177 . . . . 73.34 107.821 176.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 29.3 m80 -111.59 175.04 5.59 Favored 'General case' 0 CA--C 1.516 -0.358 0 CA-C-N 114.753 -1.112 . . . . 65.15 109.557 -178.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 8.5 t-160 -146.92 88.8 1.76 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.092 0.472 . . . . 71.15 110.045 172.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 3.8 m80 . . . . . 0 C--O 1.245 0.858 0 CA-C-N 115.481 -0.781 . . . . 71.54 109.851 179.106 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 tmt? . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 107.984 -1.117 . . . . 64.1 107.984 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -81.36 73.11 8.41 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.557 0.694 . . . . 70.34 109.181 175.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -119.97 103.73 9.56 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.88 -1.054 . . . . 74.53 109.658 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 53.2 mtt180 -108.56 -0.72 20.16 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 115.073 -0.967 . . . . 71.04 110.382 -175.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 39.1 p -73.16 146.47 45.61 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.617 -0.719 . . . . 65.42 111.391 -178.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -62.91 137.49 58.28 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.877 -0.601 . . . . 63.12 110.111 174.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.876 ' HB2' HG22 ' A' ' 72' ' ' ILE . 57.5 m-85 -72.95 137.66 45.65 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.146 0.498 . . . . 61.21 111.354 -174.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 29.4 t0 -116.24 134.06 55.33 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 108.258 -1.015 . . . . 63.25 108.258 173.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.7 m -127.69 119.17 51.08 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-O 121.53 0.681 . . . . 72.31 111.044 -173.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.429 ' CE2' ' HB2' ' A' ' 123' ' ' PHE . 42.5 m-85 -106.39 144.46 33.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.867 -0.606 . . . . 73.24 110.979 -177.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.696 HG21 HD13 ' A' ' 75' ' ' LEU . 1.2 t -140.74 101.85 4.17 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.73 -0.668 . . . . 61.3 109.748 177.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -91.4 136.57 33.02 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 121.155 0.503 . . . . 74.53 110.47 -176.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -144.01 31.43 1.86 Allowed Glycine 0 N--CA 1.443 -0.852 0 N-CA-C 110.369 -1.092 . . . . 53.32 110.369 175.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 28.0 t -85.93 103.54 14.74 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.162 -0.519 . . . . 75.32 110.453 -175.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.678 ' HB3' ' HB3' ' A' ' 20' ' ' TYR . 19.0 p90 -60.29 133.82 56.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.882 -0.599 . . . . 75.15 110.803 179.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.663 HG22 HD22 ' A' ' 17' ' ' ASN . 8.5 p -125.06 132.32 71.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.855 -0.612 . . . . 64.52 110.081 -177.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.663 HD22 HG22 ' A' ' 16' ' ' VAL . 38.6 m-80 59.65 27.72 17.01 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.157 -0.474 . . . . 74.42 110.915 -176.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.6 -0.42 88.21 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.942 -0.647 . . . . 71.23 113.029 179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -112.6 126.69 55.63 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 122.59 -0.359 . . . . 74.32 110.69 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.678 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 32.6 p90 -103.48 159.91 15.17 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.106 -0.497 . . . . 75.02 111.339 -176.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -153.99 169.85 22.5 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 108.654 -0.869 . . . . 62.43 108.654 176.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.413 ' HH2' ' HB2' ' A' ' 49' ' ' ARG . 22.1 p-90 -137.32 129.72 29.7 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.137 0.494 . . . . 71.01 110.272 176.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -144.5 151.93 39.87 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.768 -0.651 . . . . 74.34 111.108 -174.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -122.7 138.44 54.61 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.206 -0.452 . . . . 74.15 110.611 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.557 ' HB2' ' HB ' ' A' ' 127' ' ' VAL . . . -131.69 109.24 10.04 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.771 -0.65 . . . . 41.4 110.34 178.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 78.8 m-85 -99.14 107.28 19.6 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.466 -0.568 . . . . 72.4 109.466 179.195 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.1 p -110.72 139.17 35.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.331 0.586 . . . . 51.44 111.491 -175.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.409 ' HD2' ' O ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -143.87 134.26 24.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.482 -0.781 . . . . 71.12 109.594 177.358 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.5 t70 63.98 8.8 4.15 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 121.398 0.618 . . . . 72.42 111.781 175.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.93 -6.6 64.39 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.868 -0.682 . . . . 62.02 111.745 -177.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -104.95 159.05 16.12 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.864 0.364 . . . . 64.43 110.307 179.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 43.7 t -85.96 118.16 32.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 116.257 -0.429 . . . . 75.13 110.4 -178.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -87.0 -38.72 16.33 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.151 -0.477 . . . . 63.12 109.997 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -153.58 142.99 21.62 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.908 -0.587 . . . . 73.03 110.15 175.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -145.94 139.74 26.43 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.305 -0.407 . . . . 74.25 110.146 177.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -167.04 146.29 5.27 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.58 -0.526 . . . . 75.33 109.58 175.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -141.95 134.85 28.73 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.634 -0.257 . . . . 52.21 111.056 -176.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -138.06 174.96 10.01 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.605 -0.517 . . . . 55.23 109.605 178.257 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 18.8 m -128.99 168.33 22.49 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-O 120.751 0.31 . . . . 62.52 111.246 -175.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.22 122.08 0.34 Allowed Glycine 0 N--CA 1.449 -0.472 0 C-N-CA 120.976 -0.63 . . . . 53.44 113.044 175.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.425 ' N ' ' HE1' ' A' ' 20' ' ' TYR . 58.9 mtpt -111.57 87.73 2.62 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.434 -0.58 . . . . 71.33 109.434 176.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -126.68 153.54 75.62 Favored Pre-proline 0 C--N 1.322 -0.61 0 CA-C-N 115.288 -0.869 . . . . 64.01 110.122 -177.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -60.52 -26.82 83.65 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 122.527 2.151 . . . . 50.04 112.122 177.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.23 -25.5 63.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 72.44 111.113 178.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.27 3.98 19.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.344 -0.389 . . . . 71.44 111.026 -177.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -80.73 -35.26 33.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.373 -0.376 . . . . 61.21 110.851 178.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 21.2 m -90.33 -35.1 15.44 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.03 0.443 . . . . 71.12 111.066 -179.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.9 ptm -118.03 80.08 1.46 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.46 0.648 . . . . 74.24 111.245 -175.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.422 ' C ' ' H ' ' A' ' 51' ' ' VAL . 14.5 ptt180 -132.42 -24.24 2.05 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.746 -0.661 . . . . 73.0 111.033 176.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 79.0 m-20 73.08 -30.68 0.21 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.56 0.744 . . . . 74.24 112.085 175.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.422 ' H ' ' C ' ' A' ' 49' ' ' ARG . 45.2 t -50.61 -27.49 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 C-N-CA 123.816 0.847 . . . . 73.14 112.006 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -50.54 -30.3 12.69 Favored 'General case' 0 CA--C 1.532 0.264 0 N-CA-C 112.258 0.466 . . . . 72.42 112.258 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -72.87 -35.47 58.28 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.82 -0.705 . . . . 74.1 112.179 179.105 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -71.29 -44.78 64.52 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.718 0.294 . . . . 72.23 110.958 -179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.2 pt -69.09 -31.37 49.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.851 0.358 . . . . 62.3 110.94 -179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.86 -39.38 90.67 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.289 -0.414 . . . . 75.55 110.299 175.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -63.16 -32.41 73.8 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.055 -0.52 . . . . 62.2 110.604 178.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.537 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -66.36 -36.64 83.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.969 -0.56 . . . . 63.44 110.509 176.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.6 tp -64.25 -43.21 95.59 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.227 -0.442 . . . . 71.33 110.436 178.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 69.9 m-85 -64.6 -33.9 77.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.356 -0.384 . . . . 72.54 110.403 177.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.67 -37.04 85.4 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 64.52 110.733 176.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.537 HG23 ' O ' ' A' ' 58' ' ' ALA . 91.4 t -61.54 -39.02 81.56 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.179 0 CA-C-O 121.171 0.51 . . . . 72.24 110.37 176.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -63.97 -40.18 95.82 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.725 -0.67 . . . . 73.11 110.588 179.17 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -73.71 -33.6 64.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.036 -0.529 . . . . 74.43 110.653 177.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -55.62 -27.79 51.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.886 -0.597 . . . . 60.52 111.965 -177.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 22.3 t -56.11 -36.66 68.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.412 -0.358 . . . . 72.24 110.739 177.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 93.5 mt-30 -71.16 -30.67 66.74 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.139 -0.482 . . . . 60.2 111.06 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 7.6 mp -89.71 -17.22 28.71 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.22 -0.445 . . . . 62.53 110.906 -177.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.33 47.24 23.45 Favored Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 120.96 -0.638 . . . . 75.52 112.004 -179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 27.8 m -129.49 168.65 22.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 N-CA-C 110.322 -0.251 . . . . 74.31 110.322 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.527 ' HE2' ' O ' ' A' ' 108' ' ' GLY . 15.8 ptpt -131.04 173.53 10.91 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.488 -0.324 . . . . 64.15 110.613 -179.101 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.876 HG22 ' HB2' ' A' ' 7' ' ' TYR . 16.1 pt -131.47 153.75 39.37 Favored 'Isoleucine or valine' 0 C--O 1.237 0.407 0 CA-C-N 116.439 -0.346 . . . . 53.14 110.509 173.692 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 73' ' ' ARG . 46.8 mtp180 -96.92 102.18 13.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 61.34 110.41 179.361 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 112' ' ' PHE . 33.6 mt -93.48 142.02 13.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 116.693 -0.231 . . . . 62.1 110.804 -175.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.696 HD13 HG21 ' A' ' 11' ' ' THR . 2.3 pt? -61.11 -179.01 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.154 0.502 . . . . 52.45 110.817 173.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -87.2 -174.1 4.72 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 120.858 -0.337 . . . . 74.12 111.808 -178.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.3 t70 62.39 -157.58 0.33 Allowed 'General case' 0 CA--C 1.528 0.126 0 CA-C-N 115.43 -0.804 . . . . 60.21 109.004 -171.546 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 40.1 t80 66.16 6.26 4.07 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.498 0.666 . . . . 74.54 110.647 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.24 -13.79 61.21 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.743 -0.662 . . . . 51.33 111.425 -177.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.442 ' HA2' ' CE2' ' A' ' 83' ' ' PHE . . . -53.69 -45.08 69.38 Favored Glycine 0 CA--C 1.517 0.205 0 CA-C-N 116.196 -0.456 . . . . 51.32 112.978 -179.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.435 HD12 ' N ' ' A' ' 82' ' ' ALA . 2.8 pp -75.71 -19.42 15.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.063 0.459 . . . . 54.34 111.561 179.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.435 ' N ' HD12 ' A' ' 81' ' ' ILE . . . -87.27 1.96 51.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.535 -0.302 . . . . 75.33 111.578 -175.618 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.793 ' HB3' ' HB3' ' A' ' 88' ' ' GLU . 11.1 m-85 -70.38 -13.22 62.05 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.2 0.444 . . . . 71.15 112.2 -177.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 7.1 m0 -73.67 -39.33 64.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.214 0.53 . . . . 52.23 109.941 176.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -87.83 -18.19 29.84 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.5 -0.773 . . . . 73.24 111.397 -175.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 22.9 p -104.71 -39.24 6.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.297 -0.411 . . . . 75.1 111.524 -177.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 108.76 94.55 2.34 Favored Glycine 0 N--CA 1.444 -0.782 0 C-N-CA 120.96 -0.638 . . . . 54.35 112.102 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.793 ' HB3' ' HB3' ' A' ' 83' ' ' PHE . 15.9 pt-20 -67.93 -21.55 65.11 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.356 0.598 . . . . 64.23 110.099 177.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 29.7 t90 -140.67 149.65 42.51 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 107.947 -1.131 . . . . 73.43 107.947 172.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 18.1 ptmt -62.34 111.54 2.05 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.625 0.726 . . . . 71.25 111.358 -176.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.642 ' HB2' ' HB ' ' A' ' 96' ' ' THR . . . -76.94 112.31 13.42 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.561 -0.745 . . . . 61.32 110.757 -178.16 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.7 pttp -97.02 -34.81 11.04 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.37 -0.377 . . . . 64.35 110.495 179.421 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 29.9 p-10 -165.65 20.13 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.185 0.517 . . . . 74.24 110.56 176.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 22.3 mp0 -82.09 -176.4 6.13 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.684 -0.689 . . . . 61.25 111.031 -179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 56.4 m-85 -69.87 -28.93 66.06 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 115.953 -0.567 . . . . 71.02 110.473 176.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.642 ' HB ' ' HB2' ' A' ' 91' ' ' ALA . 6.5 m -49.52 -35.26 19.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.604 -0.726 . . . . 71.21 111.972 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.443 ' HG3' ' CB ' ' A' ' 91' ' ' ALA . 12.3 mt-30 -62.63 -34.01 76.17 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.735 0.272 . . . . 73.01 111.735 178.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -76.08 -31.7 58.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.15 0.5 . . . . 71.05 110.717 178.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 48.7 m-85 -76.17 -30.58 58.14 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.793 -0.639 . . . . 74.11 111.255 179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -83.0 -15.06 52.69 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.316 0.579 . . . . 72.24 110.18 174.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.481 ' HG2' HD23 ' A' ' 102' ' ' LEU . 62.8 tttp -75.66 118.5 18.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.44 -0.8 . . . . 73.32 110.585 -177.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.481 HD23 ' HG2' ' A' ' 101' ' ' LYS . 4.2 mm? 63.21 22.47 13.38 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.55 -0.75 . . . . 72.31 112.19 177.006 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -67.04 -27.36 67.33 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 121.632 0.73 . . . . 70.21 109.436 172.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.593 ' HA ' ' HB3' ' A' ' 107' ' ' ARG . 64.5 t30 -61.77 -22.41 65.4 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 114.74 -1.118 . . . . 60.2 111.14 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -56.05 -44.69 79.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.703 -0.68 . . . . 62.11 110.407 177.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 62.0 t80 -87.2 -25.57 23.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.874 -0.603 . . . . 74.02 110.3 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.593 ' HB3' ' HA ' ' A' ' 104' ' ' ASN . 28.7 ttt180 -63.71 144.08 57.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.755 -0.657 . . . . 73.54 110.657 178.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . 0.527 ' O ' ' HE2' ' A' ' 71' ' ' LYS . . . 122.12 -38.44 2.59 Favored Glycine 0 N--CA 1.445 -0.718 0 N-CA-C 110.76 -0.936 . . . . 64.02 110.76 -175.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . . . . . . . . . 22.1 mt -73.19 -39.27 56.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.837 0.827 . . . . 73.42 109.175 174.519 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.56 ' CE1' ' HA ' ' A' ' 107' ' ' ARG . 36.2 p90 -104.33 145.49 30.17 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.299 -0.864 . . . . 64.53 109.047 173.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 27.5 p -159.16 141.76 14.06 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.332 -0.618 . . . . 60.34 109.332 178.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 74' ' ' ILE . 67.4 m-85 -101.89 136.46 41.69 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.905 0.383 . . . . 75.04 110.028 -177.425 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -138.06 140.49 40.06 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.136 -0.484 . . . . 64.4 109.771 -177.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.417 ' H ' ' HG2' ' A' ' 114' ' ' LYS . 17.7 pttt -84.82 128.02 34.41 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.87 0.367 . . . . 74.32 110.986 178.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 4.9 p -131.61 112.33 20.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.382 0.611 . . . . 71.11 110.757 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 6.6 tmtt? -153.1 95.63 1.98 Allowed 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.534 -0.913 . . . . 63.23 108.534 177.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -155.45 158.79 39.13 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.022 -0.536 . . . . 64.01 110.738 -176.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 29.7 p80 -92.63 -17.8 23.88 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 108.906 -0.776 . . . . 72.22 108.906 173.63 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.3 m -82.45 35.55 0.45 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.151 -0.932 . . . . 50.15 111.08 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -66.2 144.84 46.82 Favored Glycine 0 N--CA 1.431 -1.636 0 N-CA-C 111.668 -0.573 . . . . 22.04 111.668 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -67.62 177.02 2.15 Favored 'General case' 0 C--N 1.311 -1.103 0 CA-C-N 115.005 -0.598 . . . . 73.11 111.368 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -49.1 -47.4 45.25 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.785 -0.643 . . . . 75.13 112.264 -176.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.429 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 50.4 m-85 -64.77 -26.73 68.48 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.834 -0.621 . . . . 72.5 111.459 -174.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.432 HD22 ' C ' ' A' ' 124' ' ' ASN . 0.2 OUTLIER -71.0 -43.37 68.14 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.422 -0.585 . . . . 73.15 109.422 178.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.439 ' HA ' ' HB3' ' A' ' 128' ' ' ASP . 31.7 t70 -73.43 -29.27 62.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.357 0.598 . . . . 73.14 110.109 178.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -62.53 -48.77 78.07 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.507 -0.77 . . . . 72.34 110.789 177.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.557 ' HB ' ' HB2' ' A' ' 25' ' ' ALA . 8.9 p -74.67 -27.61 20.95 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.24 0 CA-C-O 121.003 0.43 . . . . 74.33 110.243 178.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.439 ' HB3' ' HA ' ' A' ' 125' ' ' ASP . 2.0 t70 -60.69 -46.34 90.76 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.905 -0.589 . . . . 74.02 110.387 174.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 17.4 tmm? -59.77 -37.33 78.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 54.23 110.476 178.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -61.77 -47.42 85.27 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.271 -0.422 . . . . 72.52 110.649 175.41 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -63.53 -44.7 93.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.935 -0.575 . . . . 73.43 111.363 -179.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.463 ' HE3' HG11 ' A' ' 16' ' ' VAL . 31.6 mttp -59.12 -39.64 82.92 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.487 -0.324 . . . . 61.45 111.116 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 50.8 m -61.06 -30.79 70.54 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-N 116.193 -0.458 . . . . 62.03 111.265 -179.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.68 -17.75 57.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 61.02 111.256 178.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 98.1 mt -94.22 -17.43 22.71 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.272 -0.422 . . . . 72.54 110.954 -178.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 95.21 -7.3 69.24 Favored Glycine 0 N--CA 1.449 -0.476 0 C-N-CA 120.714 -0.755 . . . . 73.22 111.408 -176.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 63.2 mt -82.32 128.8 38.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 N-CA-C 109.104 -0.702 . . . . 52.2 109.104 177.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 60.0 ttt180 63.82 53.52 1.94 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 122.081 0.943 . . . . 73.44 109.287 -174.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.722 ' HB3' ' HB2' ' A' ' 142' ' ' HIS . 24.3 t70 -97.18 140.84 31.07 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.866 -1.061 . . . . 72.44 109.476 179.074 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 9.9 tt -60.03 -32.93 71.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.33 -0.395 . . . . 73.43 111.741 -175.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -102.36 15.0 30.46 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.941 0.4 . . . . 74.43 110.84 -176.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.722 ' HB2' ' HB3' ' A' ' 139' ' ' ASP . 44.1 t-80 -90.8 119.09 30.73 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.154 -0.684 . . . . 74.21 109.154 176.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -73.27 158.58 34.89 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 116.181 -0.463 . . . . 70.35 110.616 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 46.6 m-70 -100.09 123.05 43.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.797 -0.638 . . . . 74.51 109.774 174.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 43.0 t60 -71.93 -39.09 69.71 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.15 -0.477 . . . . 74.22 110.485 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 71.1 t60 -92.29 117.26 29.71 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.951 -0.568 . . . . 72.21 109.962 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 37.7 t-80 . . . . . 0 C--O 1.245 0.832 0 CA-C-O 118.415 -0.802 . . . . 72.25 110.429 179.266 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mpt? . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 110.113 -0.329 . . . . 63.11 110.113 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -114.63 75.24 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.628 -0.26 . . . . 74.12 111.141 -177.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.404 ' HB3' ' HE1' ' A' ' 7' ' ' TYR . 70.2 m-20 44.98 77.88 0.07 Allowed 'General case' 0 N--CA 1.471 0.576 0 O-C-N 124.086 0.866 . . . . 74.35 112.74 177.058 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -121.4 12.52 10.89 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.519 0.676 . . . . 73.24 109.902 176.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -89.27 175.13 7.47 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.132 -0.94 . . . . 70.12 111.0 178.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.455 ' CD ' ' HD3' ' A' ' 73' ' ' ARG . 32.2 tt0 -71.8 114.07 9.5 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.236 -0.438 . . . . 75.54 109.964 178.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.404 ' HE1' ' HB3' ' A' ' 3' ' ' ASP . 42.1 m-85 -73.21 127.79 33.64 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.969 -0.559 . . . . 75.04 110.845 -176.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.529 ' O ' HG13 ' A' ' 27' ' ' VAL . 14.6 p-10 -109.29 110.25 21.37 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.409 0.623 . . . . 71.12 110.196 177.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.403 HG11 ' HE2' ' A' ' 110' ' ' TYR . 52.4 t -107.99 136.08 44.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.923 -0.581 . . . . 52.31 110.629 -175.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.53 ' HB2' ' HB3' ' A' ' 25' ' ' ALA . 9.2 m-85 -110.67 133.05 53.66 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.251 0.548 . . . . 70.44 110.639 177.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.2 m -142.1 140.32 32.47 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 108.941 -0.762 . . . . 72.24 108.941 177.025 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.741 ' HB3' ' HB3' ' A' ' 23' ' ' ALA . 0.0 OUTLIER -80.35 160.36 25.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.341 0.591 . . . . 71.21 110.971 -175.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.69 ' HA3' ' HA ' ' A' ' 114' ' ' LYS . . . -157.65 30.68 0.51 Allowed Glycine 0 N--CA 1.444 -0.784 0 N-CA-C 110.214 -1.154 . . . . 73.24 110.214 174.311 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.8 p -100.16 109.04 21.3 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.268 0.556 . . . . 70.24 111.877 -171.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 33.7 p90 -105.95 126.85 52.68 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.324 -0.621 . . . . 64.41 109.324 175.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.483 HG22 ' ND2' ' A' ' 17' ' ' ASN . 14.1 p -146.69 143.59 20.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 N-CA-C 110.123 -0.325 . . . . 72.04 110.123 -177.401 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.483 ' ND2' HG22 ' A' ' 16' ' ' VAL . 57.8 m-80 60.69 27.2 16.94 Favored 'General case' 0 N--CA 1.466 0.372 0 C-N-CA 122.938 0.495 . . . . 64.44 110.948 -179.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 66.59 19.04 68.66 Favored Glycine 0 CA--C 1.52 0.372 0 CA-C-N 116.089 -0.505 . . . . 72.22 113.141 178.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.492 ' OE1' ' HB3' ' A' ' 135' ' ' LEU . 8.1 pt20 -131.36 147.61 52.59 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.852 -0.425 . . . . 74.13 109.852 -179.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -141.68 138.1 32.21 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.014 0.435 . . . . 62.15 111.048 -175.018 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.3 141.99 51.76 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 108.312 -0.996 . . . . 74.21 108.312 172.21 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 49.5 p-90 -89.81 130.3 36.08 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.509 -0.477 . . . . 65.31 110.749 -175.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.741 ' HB3' ' HB3' ' A' ' 12' ' ' ASP . . . -126.76 136.53 52.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.014 -0.539 . . . . 71.35 111.762 -179.023 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.2 m-85 -125.59 138.51 53.94 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 75.14 109.91 176.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.614 ' HB2' HG11 ' A' ' 127' ' ' VAL . . . -133.81 104.07 6.14 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.939 0.4 . . . . 74.31 110.699 178.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -92.3 98.38 11.46 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.435 0.636 . . . . 74.45 110.025 178.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 8' ' ' ASP . 1.9 p -115.75 142.05 30.54 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 CA-C-N 114.919 -1.037 . . . . 73.14 110.13 -176.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.437 ' HD2' ' N ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -127.75 118.4 23.71 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.59 -0.522 . . . . 75.5 109.59 179.214 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 30.4 t70 65.9 22.1 11.37 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-O 121.759 0.79 . . . . 72.44 110.373 175.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 90.96 8.85 64.52 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.638 -0.792 . . . . 62.04 112.607 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 27.0 mmtp -112.14 121.66 45.57 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.954 -0.388 . . . . 51.23 109.954 177.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.426 HG22 ' HB ' ' A' ' 27' ' ' VAL . 38.6 t -90.7 104.15 15.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 115.881 -0.6 . . . . 55.1 109.665 -177.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -77.93 -30.2 50.41 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.203 -0.453 . . . . 71.31 110.48 -175.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 31.9 p90 -168.67 140.54 2.69 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-N 115.877 -0.601 . . . . 74.11 110.369 176.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -148.63 162.16 40.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.86 -0.609 . . . . 73.52 109.606 178.712 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -173.98 171.89 3.54 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.881 0.372 . . . . 74.24 111.121 175.717 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -157.19 142.23 17.01 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.701 -0.681 . . . . 53.0 109.616 -177.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -153.72 176.3 12.27 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.895 0.379 . . . . 70.05 110.683 -177.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.1 m -106.98 168.01 3.25 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.571 0 CA-C-N 115.996 -0.547 . . . . 71.02 110.856 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.22 81.18 0.4 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.775 -0.726 . . . . 60.11 112.884 177.3 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 6.4 tmtm? -77.54 98.95 5.53 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.605 -0.517 . . . . 71.52 109.605 177.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m120 -138.06 153.25 73.24 Favored Pre-proline 0 C--N 1.326 -0.423 0 CA-C-N 116.024 -0.535 . . . . 75.42 110.213 -179.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_exo -55.06 -46.56 32.22 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.92 2.413 . . . . 74.24 112.368 178.313 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.62 -37.6 81.98 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.529 -0.305 . . . . 61.13 111.359 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.421 ' HA ' ' HB2' ' A' ' 49' ' ' ARG . . . -67.0 -33.76 76.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.257 -0.429 . . . . 64.44 111.012 -178.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.39 -16.21 46.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.121 -0.49 . . . . 72.41 111.298 179.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.502 HG22 ' HG3' ' A' ' 48' ' ' MET . 26.6 m -95.56 -51.46 4.53 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.393 -0.367 . . . . 64.35 111.47 -177.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.502 ' HG3' HG22 ' A' ' 47' ' ' THR . 60.2 mtm -144.49 89.41 2.0 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.621 0.248 . . . . 74.4 110.507 -175.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.457 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 0.0 OUTLIER -167.47 61.37 0.08 Allowed 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 110.046 -0.353 . . . . 64.33 110.046 -178.785 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 64.19 -78.18 0.03 OUTLIER 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.926 -0.579 . . . . 73.11 112.283 174.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 34.5 t -58.73 -29.11 39.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 121.148 0.499 . . . . 75.21 110.589 -179.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.4 ' HA ' HG12 ' A' ' 55' ' ' ILE . . . -53.19 -29.45 32.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.235 -0.893 . . . . 72.31 112.162 -179.631 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -63.17 -43.27 98.87 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.548 -0.834 . . . . 61.11 112.229 179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 53.6 mm-40 -65.32 -46.12 81.61 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.955 0.407 . . . . 74.21 110.931 -178.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.4 HG12 ' HA ' ' A' ' 52' ' ' ALA . 27.2 pt -73.16 -32.62 39.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.305 -0.407 . . . . 74.03 111.629 -176.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.69 -42.43 98.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.967 0.413 . . . . 74.1 110.353 175.45 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.434 ' HA ' ' HD2' ' A' ' 60' ' ' TYR . . . -65.8 -37.74 87.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.993 -0.548 . . . . 63.34 110.655 177.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -68.87 -32.7 72.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.976 -0.557 . . . . 64.21 110.984 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.0 tp -61.81 -35.94 79.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.106 -0.497 . . . . 71.32 110.497 178.739 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.526 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 33.6 m-85 -60.3 -37.07 79.4 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.079 -0.51 . . . . 73.44 110.644 177.123 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.31 -35.79 80.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.111 -0.495 . . . . 75.05 110.645 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 45.5 t -72.21 -36.24 55.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-O 121.233 0.539 . . . . 52.03 110.142 177.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.475 ' O ' ' HD3' ' A' ' 63' ' ' LYS . 7.6 tmtm? -62.9 -32.99 74.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.615 -0.721 . . . . 63.53 109.879 177.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 60' ' ' TYR . 94.8 mttt -73.02 -38.76 66.46 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.097 -0.501 . . . . 71.13 110.419 175.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -57.55 -44.37 85.16 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.535 -0.757 . . . . 65.41 112.472 -173.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.9 p -62.32 -35.46 79.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.981 0.419 . . . . 62.1 111.203 -177.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -83.18 -28.42 29.34 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 116.238 -0.437 . . . . 73.52 110.764 179.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.2 tp -76.02 -20.4 57.84 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.983 -0.553 . . . . 33.25 110.555 -179.167 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 86.55 34.16 12.27 Favored Glycine 0 N--CA 1.448 -0.532 0 C-N-CA 120.886 -0.673 . . . . 62.45 111.766 179.549 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 26.9 m -129.59 170.31 19.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-O 121.011 0.434 . . . . 64.21 110.363 178.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.521 ' HA ' HG23 ' A' ' 109' ' ' ILE . 19.8 ptpt -153.18 179.16 8.98 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.268 -0.642 . . . . 72.23 109.268 179.104 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 2.7 pp -108.0 145.24 15.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 108.741 -0.837 . . . . 65.44 108.741 172.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.455 ' HD3' ' CD ' ' A' ' 6' ' ' GLU . 63.8 mtp180 -84.31 109.26 17.68 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.37 0.605 . . . . 65.12 110.443 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.665 ' HB ' ' HD2' ' A' ' 76' ' ' HIS . 38.2 pt -69.06 140.31 19.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 114.519 -1.219 . . . . 63.44 112.45 -172.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 36.3 tp -98.97 60.08 1.2 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.41 -0.814 . . . . 75.12 109.845 176.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.665 ' HD2' ' HB ' ' A' ' 74' ' ' ILE . 4.8 p80 -172.43 172.11 4.48 Favored 'General case' 0 CA--C 1.521 -0.147 0 CA-C-N 116.238 -0.437 . . . . 73.31 110.291 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -90.39 -83.03 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 O-C-N 123.159 0.287 . . . . 74.51 111.16 -178.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.454 ' O ' HG22 ' A' ' 81' ' ' ILE . 47.3 p90 -170.34 -9.2 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 113.068 0.766 . . . . 62.12 113.068 -174.194 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.91 -25.07 58.66 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.285 0.476 . . . . 51.4 112.285 -172.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.647 ' HA3' ' HG3' ' A' ' 113' ' ' GLU . . . -62.52 -25.51 67.16 Favored Glycine 0 CA--C 1.518 0.272 0 C-N-CA 121.233 -0.508 . . . . 74.24 113.905 -175.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.454 HG22 ' O ' ' A' ' 78' ' ' TYR . 12.4 tt -64.93 -21.35 29.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.238 0 CA-C-N 117.186 0.493 . . . . 74.2 111.126 -176.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.693 ' HB1' ' HA ' ' A' ' 90' ' ' LYS . . . -66.32 -32.56 74.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.111 0.481 . . . . 64.33 110.566 179.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 93.4 m-85 -81.88 -21.13 37.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.897 -0.592 . . . . 73.41 109.984 179.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 12.2 m0 -73.66 -36.16 65.32 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.786 -0.643 . . . . 63.43 110.082 174.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.78 -50.62 72.72 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.365 -0.834 . . . . 62.4 112.007 -177.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 12.0 t -141.44 -44.58 0.37 Allowed 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.739 -0.385 . . . . 70.54 111.359 -179.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 121.43 -47.29 1.03 Allowed Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.317 -0.944 . . . . 54.1 112.985 177.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -60.18 -53.51 56.86 Favored 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 120.905 0.383 . . . . 71.32 111.706 -177.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 1.5 p90 -157.31 -174.71 5.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.124 -0.489 . . . . 73.52 110.781 -176.474 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.693 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 53.4 mtmt -74.08 165.79 24.53 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.772 -0.649 . . . . 61.54 109.899 178.269 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -58.15 95.27 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.151 0.501 . . . . 50.21 111.496 -176.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -91.75 -48.25 6.91 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.39 -0.823 . . . . 72.31 110.354 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.55 ' HB2' ' OG1' ' A' ' 96' ' ' THR . 16.0 m120 -84.87 150.99 24.6 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.565 -0.743 . . . . 62.11 110.645 -177.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -67.68 -38.08 83.23 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.453 -0.794 . . . . 75.14 111.459 -174.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -72.38 -32.86 66.77 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.216 0.532 . . . . 72.14 110.124 176.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.55 ' OG1' ' HB2' ' A' ' 93' ' ' ASN . 22.9 m -63.68 -37.81 88.73 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 115.796 -0.638 . . . . 64.24 110.409 175.035 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -60.95 -35.34 76.5 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.224 -0.444 . . . . 74.33 111.197 177.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.53 -45.31 59.91 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.016 -0.538 . . . . 74.3 110.474 177.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 69.9 t80 -62.46 -35.21 78.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.055 -0.52 . . . . 74.12 110.308 177.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -62.77 -36.43 83.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.139 -0.482 . . . . 72.1 110.746 177.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 42.0 tttm -76.74 -22.6 53.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.23 110.082 179.681 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.506 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 59.6 tp -69.96 -35.65 74.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.172 0.511 . . . . 65.1 109.712 174.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 96.4 mmm -75.17 -29.55 60.46 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.35 0.595 . . . . 75.31 110.272 173.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -62.44 -30.97 71.62 Favored 'General case' 0 N--CA 1.466 0.36 0 CA-C-N 115.213 -0.903 . . . . 74.14 112.566 -173.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.506 ' HG3' ' O ' ' A' ' 102' ' ' LEU . 3.9 pp0? -62.77 -18.56 62.85 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.082 0.401 . . . . 72.24 112.082 -178.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -80.01 -25.8 40.1 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.42 0.629 . . . . 72.11 109.764 176.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.452 ' HD2' HD12 ' A' ' 81' ' ' ILE . 72.8 ttt180 -79.79 142.59 35.21 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.349 -0.842 . . . . 72.5 110.329 179.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 148.16 -65.92 0.4 Allowed Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.839 -0.696 . . . . 21.41 111.411 179.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.521 HG23 ' HA ' ' A' ' 71' ' ' LYS . 3.9 mp -80.18 -34.69 15.14 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 N-CA-C 109.419 -0.585 . . . . 72.12 109.419 176.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.403 ' HE2' HG11 ' A' ' 9' ' ' VAL . 39.8 t80 -137.82 144.32 41.44 Favored 'General case' 0 N--CA 1.452 -0.35 0 CA-C-N 115.378 -0.828 . . . . 70.24 109.496 -179.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.438 ' HB3' ' HG3' ' A' ' 107' ' ' ARG . 85.4 p -173.87 137.65 0.59 Allowed 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.212 -0.662 . . . . 65.24 109.212 173.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -135.98 172.47 12.96 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-O 121.325 0.583 . . . . 75.04 112.039 -179.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.647 ' HG3' ' HA3' ' A' ' 80' ' ' GLY . 13.5 tt0 -147.54 154.44 40.73 Favored 'General case' 0 C--N 1.318 -0.786 0 CA-C-N 114.742 -1.117 . . . . 72.41 108.545 -171.224 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.69 ' HA ' ' HA3' ' A' ' 13' ' ' GLY . 53.2 mtpt -70.82 92.37 0.89 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.083 0.468 . . . . 74.31 110.448 -179.652 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 49.7 t -86.72 134.55 27.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.659 -0.7 . . . . 72.41 110.79 -176.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 15.7 ptpt -91.31 171.33 9.3 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.871 -0.604 . . . . 70.14 110.695 177.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -87.9 94.55 9.81 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 112.653 0.612 . . . . 71.15 112.653 -168.53 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 9.4 p-80 -131.09 0.23 4.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.022 -0.535 . . . . 74.42 109.813 169.569 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 9.6 t -150.66 36.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.643 -0.708 . . . . 61.32 109.479 -178.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -64.94 97.47 0.26 Allowed Glycine 0 N--CA 1.45 -0.412 0 CA-C-N 115.789 -0.641 . . . . 73.23 112.901 -176.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 91.4 m-20 -81.19 158.34 24.93 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.809 -0.441 . . . . 64.33 109.809 175.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -71.58 -15.44 62.27 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.424 -0.353 . . . . 74.31 111.691 -173.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -69.54 -34.92 74.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.291 0.567 . . . . 75.53 109.919 174.033 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 8.2 t30 -77.41 -28.03 52.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.67 -0.696 . . . . 63.11 109.68 177.114 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -56.2 -31.03 63.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.508 -0.769 . . . . 73.2 111.32 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -70.59 -43.45 69.35 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.191 0.441 . . . . 62.32 112.191 -179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.721 ' HB ' ' HB1' ' A' ' 23' ' ' ALA . 30.0 m -74.51 -28.82 22.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.361 -0.536 . . . . 63.13 109.887 176.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -60.72 -47.73 84.98 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.669 -0.696 . . . . 63.25 110.111 173.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 70.2 mtm -61.68 -44.81 96.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.921 -0.582 . . . . 72.14 111.133 177.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 86.0 mttt -59.82 -44.26 94.11 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.644 0.259 . . . . 75.01 111.031 178.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.48 -45.75 92.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.933 0.397 . . . . 43.34 110.904 178.372 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.682 ' HB3' ' HB ' ' A' ' 137' ' ' ILE . 82.0 mttt -67.64 -34.4 76.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 72.44 111.404 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 56.1 m -61.91 -39.05 90.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.021 0.438 . . . . 52.21 110.637 177.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.32 -22.83 61.87 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.036 -0.529 . . . . 72.11 111.195 -179.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.492 ' HB3' ' OE1' ' A' ' 19' ' ' GLN . 98.3 mt -97.56 -17.94 19.26 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 71.1 111.52 -176.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 93.1 23.04 25.95 Favored Glycine 0 C--O 1.237 0.302 0 C-N-CA 120.738 -0.744 . . . . 73.33 112.234 -178.73 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.682 ' HB ' ' HB3' ' A' ' 132' ' ' LYS . 55.0 mt -90.27 148.96 4.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.692 -0.485 . . . . 62.44 109.692 -179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.485 ' HG3' HG22 ' A' ' 137' ' ' ILE . 81.5 mtp180 62.01 52.77 3.21 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 121.44 0.638 . . . . 71.22 110.208 -177.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -117.48 147.88 42.34 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.253 -0.885 . . . . 71.42 109.889 -179.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.3 mp -70.66 -45.1 65.73 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.525 -0.307 . . . . 72.33 111.804 -174.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -91.23 -0.82 57.75 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.016 0.376 . . . . 74.5 112.016 -173.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -70.08 100.17 1.59 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 107.728 -1.212 . . . . 73.43 107.728 170.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.467 ' CD2' ' HB3' ' A' ' 145' ' ' HIS . 8.0 t60 -43.44 104.91 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.575 0 O-C-N 124.19 0.932 . . . . 61.33 113.18 -164.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -87.77 80.78 7.79 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.754 -0.657 . . . . 73.42 109.494 177.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . 0.467 ' HB3' ' CD2' ' A' ' 143' ' ' HIS . 58.7 t-80 177.95 143.78 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.982 -1.118 . . . . 74.21 107.982 -177.081 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 7.6 t-80 -124.75 144.75 50.08 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.38 -0.528 . . . . 72.42 110.733 -179.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 . . . . . 0 C--O 1.246 0.899 0 CA-C-O 118.552 -0.737 . . . . 75.14 109.84 177.051 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.6 ttt . . . . . 0 N--CA 1.484 1.255 0 N-CA-C 109.277 -0.638 . . . . 62.1 109.277 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -97.17 85.34 3.68 Favored 'General case' 0 CA--C 1.512 -0.485 0 N-CA-C 106.604 -1.628 . . . . 71.41 106.604 164.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -77.26 75.84 3.81 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 114.795 -1.093 . . . . 72.41 111.565 -163.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.6 mtt180 -137.7 2.23 2.4 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.484 -0.78 . . . . 70.25 110.106 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -105.95 96.61 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.213 0.449 . . . . 71.24 112.213 -169.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 43.9 101.77 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.51 1.124 . . . . 62.5 113.474 171.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.919 ' HB2' HG22 ' A' ' 72' ' ' ILE . 15.5 m-85 -73.01 125.65 28.13 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.225 -0.658 . . . . 72.2 109.225 178.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.529 ' O ' HG13 ' A' ' 27' ' ' VAL . 19.1 t70 -112.19 91.32 3.61 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.271 -0.422 . . . . 54.41 109.918 -174.238 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.637 HG12 HD21 ' A' ' 75' ' ' LEU . 41.1 t -99.71 115.93 41.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.898 -0.592 . . . . 62.54 110.113 -176.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.736 ' HA ' HD11 ' A' ' 75' ' ' LEU . 17.9 p90 -146.57 137.58 24.2 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.971 0.415 . . . . 74.21 111.506 -177.256 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.876 HG21 ' HA ' ' A' ' 24' ' ' TYR . 29.1 m -156.5 140.8 16.6 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 109.166 -0.679 . . . . 53.33 109.166 175.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.573 ' HB2' ' HB3' ' A' ' 117' ' ' ALA . 23.8 t70 -94.15 144.58 25.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.635 0.255 . . . . 72.2 110.527 -179.748 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -85.76 66.2 3.79 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 120.866 -0.683 . . . . 63.11 111.712 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 67.2 m -71.2 152.78 43.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.101 0.477 . . . . 71.35 111.764 -176.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.5 p90 -131.55 171.14 13.78 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.099 -0.704 . . . . 72.25 109.099 177.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.558 HG22 HD22 ' A' ' 17' ' ' ASN . 13.5 p -154.84 134.62 3.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.726 0.298 . . . . 72.21 110.591 178.262 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.558 HD22 HG22 ' A' ' 16' ' ' VAL . 45.1 m-80 63.66 27.93 14.92 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.968 -0.56 . . . . 71.04 111.149 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 73.86 8.49 77.8 Favored Glycine 0 C--O 1.227 -0.298 0 C-N-CA 120.624 -0.798 . . . . 73.32 112.091 -178.3 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.9 mm-40 -114.39 146.37 40.66 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.514 -0.55 . . . . 72.54 109.514 178.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 14.9 p90 -138.25 152.66 48.78 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 121.145 0.498 . . . . 53.22 111.424 -177.451 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.535 ' HB1' ' O ' ' A' ' 38' ' ' ASP . . . -140.88 167.41 22.24 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.095 -0.957 . . . . 61.5 108.716 178.112 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.433 ' NE1' ' HB3' ' A' ' 38' ' ' ASP . 60.0 p-90 -96.96 130.46 44.27 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.123 -0.631 . . . . 73.41 110.587 -178.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -158.56 136.14 10.24 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.336 -0.847 . . . . 73.15 109.315 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.876 ' HA ' HG21 ' A' ' 11' ' ' THR . 39.5 p90 -162.23 163.31 28.31 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.54 -0.3 . . . . 70.24 110.45 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -136.38 129.2 30.9 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.104 -0.498 . . . . 75.21 111.259 -179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.581 ' HA ' HG13 ' A' ' 9' ' ' VAL . 81.1 m-85 -88.1 106.15 17.97 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.44 -0.578 . . . . 74.55 109.44 175.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.529 HG13 ' O ' ' A' ' 8' ' ' ASP . 2.5 p -111.18 128.17 67.82 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.312 0.577 . . . . 74.1 110.964 -178.671 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.44 120.51 35.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 74.0 110.678 -179.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 62.61 18.7 10.74 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.191 0.519 . . . . 71.12 110.577 176.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 97.24 0.62 59.69 Favored Glycine 0 N--CA 1.449 -0.448 0 CA-C-N 115.977 -0.556 . . . . 75.34 112.479 -178.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 30.3 mmtp -102.72 134.5 46.01 Favored 'General case' 0 C--N 1.33 -0.274 0 O-C-N 122.925 -0.162 . . . . 74.41 110.713 -179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.7 p -79.89 121.4 33.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 121.242 0.544 . . . . 62.11 110.319 176.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 14.5 t-80 -101.52 -35.8 9.03 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.335 -0.393 . . . . 62.13 110.932 -178.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 8.1 m-85 -152.43 146.8 25.59 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.413 -0.358 . . . . 73.1 110.716 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -160.77 151.74 18.73 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.847 -0.615 . . . . 71.25 110.002 174.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -175.2 169.03 3.34 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-N 116.356 -0.384 . . . . 63.32 110.136 173.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -151.03 139.88 20.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.767 0.318 . . . . 64.11 111.054 179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.535 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 6.0 t0 -154.39 170.94 20.17 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.098 -1.075 . . . . 55.02 108.098 175.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.401 ' O ' ' HG3' ' A' ' 41' ' ' LYS . 28.8 m -93.01 -176.25 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.831 0 CA-C-O 120.536 0.208 . . . . 64.44 110.715 -175.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.26 97.57 0.33 Allowed Glycine 0 N--CA 1.449 -0.436 0 N-CA-C 110.957 -0.857 . . . . 72.41 110.957 173.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 39' ' ' VAL . 26.1 mtpp -83.64 179.85 7.51 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-O 121.313 0.578 . . . . 73.32 110.791 -173.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.424 ' HA ' ' HD3' ' A' ' 43' ' ' PRO . 13.4 m120 -87.12 143.68 35.15 Favored Pre-proline 0 C--N 1.312 -1.059 0 CA-C-N 115.43 -0.805 . . . . 64.34 110.533 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 42' ' ' ASN . 53.0 Cg_exo -55.96 -39.94 88.07 Favored 'Trans proline' 0 C--N 1.344 0.301 0 C-N-CA 123.013 2.475 . . . . 75.21 112.703 -179.031 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -66.05 -17.06 64.45 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.845 0.313 . . . . 60.04 111.845 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -99.09 -39.24 8.6 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.077 0.465 . . . . 72.15 110.57 177.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.491 ' HA ' ' HB3' ' A' ' 50' ' ' ASN . . . -67.14 -26.71 66.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.937 -0.574 . . . . 65.35 111.799 -177.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 3.2 p -62.06 -25.06 67.46 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 112.331 0.493 . . . . 75.31 112.331 -178.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 40.6 ttm -87.72 47.49 1.51 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.395 0.616 . . . . 64.31 110.631 -177.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.406 ' HG2' ' HA2' ' A' ' 53' ' ' GLY . 7.4 ttm180 56.96 50.39 12.27 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 115.262 -0.881 . . . . 71.22 111.372 174.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.491 ' HB3' ' HA ' ' A' ' 46' ' ' ALA . 22.9 t-20 -85.18 -78.07 0.27 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.318 -0.401 . . . . 74.11 110.393 177.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.3 t -66.87 -30.87 51.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.631 0.729 . . . . 54.03 109.715 178.731 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -71.71 -15.39 62.2 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.117 -0.947 . . . . 74.33 111.533 178.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . 0.406 ' HA2' ' HG2' ' A' ' 49' ' ' ARG . . . -60.75 -54.29 38.24 Favored Glycine 0 CA--C 1.521 0.433 0 C-N-CA 120.989 -0.624 . . . . 73.15 113.197 -174.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.4 mp0 -63.93 -47.19 81.49 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.645 0.259 . . . . 74.45 111.404 -178.413 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.6 pt -67.93 -35.01 70.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 112.122 0.416 . . . . 73.13 112.122 -176.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.47 -35.24 77.27 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.892 0.377 . . . . 71.43 110.792 178.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -70.41 -39.21 74.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.16 0.505 . . . . 62.34 110.229 176.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -71.91 -25.71 62.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.81 -0.632 . . . . 72.43 111.109 179.089 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.9 tp -58.28 -35.72 72.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.081 0.467 . . . . 72.34 111.104 -179.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -71.35 -32.22 68.28 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.038 -0.528 . . . . 75.13 110.107 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -70.96 -33.93 70.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.994 -0.548 . . . . 74.31 109.791 175.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 58' ' ' ALA . 62.9 t -61.35 -45.97 97.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-N 115.811 -0.631 . . . . 71.02 109.648 173.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 51.7 mttm -60.51 -41.77 95.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.896 -0.593 . . . . 64.02 110.892 176.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 60.6 mmtt -66.74 -34.76 78.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.484 -0.326 . . . . 64.14 111.588 177.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -62.68 -33.16 74.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.861 0.363 . . . . 73.12 110.91 178.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.434 ' HB2' ' CD1' ' A' ' 109' ' ' ILE . 7.2 t -66.95 -32.73 74.17 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.032 -0.531 . . . . 60.04 110.069 178.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 79.4 mt-30 -70.29 -32.42 70.21 Favored 'General case' 0 N--CA 1.451 -0.385 0 CA-C-N 116.017 -0.538 . . . . 73.51 111.086 179.803 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 11.3 mp -82.9 -25.22 32.67 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.027 -0.533 . . . . 73.12 110.306 177.067 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.04 34.69 8.65 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.788 -0.72 . . . . 74.41 112.246 179.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 17.0 m -120.96 161.75 20.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 120.745 0.307 . . . . 75.21 110.665 178.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -116.42 161.75 18.6 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.067 -0.515 . . . . 52.32 111.108 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.919 HG22 ' HB2' ' A' ' 7' ' ' TYR . 25.9 pt -131.48 176.18 9.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.239 -0.892 . . . . 71.32 109.78 175.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.419 ' HB2' ' O ' ' A' ' 9' ' ' VAL . 59.4 mtt-85 -100.79 137.85 38.63 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 109.307 -0.627 . . . . 73.01 109.307 172.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.461 HG23 ' HD1' ' A' ' 112' ' ' PHE . 0.0 OUTLIER -107.11 125.95 63.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 N-CA-C 109.654 -0.498 . . . . 61.41 109.654 179.244 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.736 HD11 ' HA ' ' A' ' 10' ' ' TYR . 2.8 mm? -83.4 -74.87 0.35 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.068 -0.515 . . . . 63.24 110.715 -177.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -151.35 96.15 2.25 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.957 0.408 . . . . 71.05 111.197 179.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.433 ' H ' HD11 ' A' ' 74' ' ' ILE . 8.8 t70 -141.16 133.72 28.52 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.536 -0.756 . . . . 72.13 109.777 173.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -131.07 8.24 4.73 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-O 121.389 0.614 . . . . 75.01 109.407 172.757 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -95.91 -55.15 3.08 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.505 -0.77 . . . . 73.53 110.686 178.441 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -70.57 -46.09 49.62 Favored Glycine 0 N--CA 1.45 -0.386 0 CA-C-N 115.979 -0.555 . . . . 63.12 112.928 -174.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 49.4 pt -61.66 -20.35 23.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.888 0.375 . . . . 74.24 111.521 179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.482 ' O ' HG22 ' A' ' 86' ' ' THR . . . -93.76 -27.3 16.57 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.882 0.372 . . . . 43.51 110.651 177.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -67.65 -42.01 82.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.9 -0.591 . . . . 71.23 111.866 -173.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -73.34 -11.22 60.41 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.422 -0.511 . . . . 74.24 111.19 -178.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.707 ' HB1' ' HA ' ' A' ' 100' ' ' ALA . . . -90.17 -47.75 7.6 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.275 0.559 . . . . 50.4 110.208 179.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.482 HG22 ' O ' ' A' ' 82' ' ' ALA . 14.8 t -98.5 39.0 1.28 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.675 0.75 . . . . 65.45 109.32 177.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.82 -0.33 1.38 Allowed Glycine 0 CA--C 1.525 0.699 0 CA-C-N 115.054 -0.975 . . . . 71.1 115.21 -172.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -78.56 -61.18 2.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 117.618 0.709 . . . . 62.31 109.67 175.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -157.55 -176.95 6.24 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 114.986 -1.007 . . . . 72.11 109.065 -178.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.42 ' HE3' ' HB2' ' A' ' 90' ' ' LYS . 39.4 ttmt -57.0 132.37 52.68 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.017 0.437 . . . . 75.04 111.116 178.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -66.04 93.46 0.2 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.69 -0.686 . . . . 74.33 111.894 -178.354 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -91.74 142.92 27.07 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.001 -0.545 . . . . 74.31 110.3 175.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 16.0 m120 59.58 -155.93 0.35 Allowed 'General case' 0 C--N 1.329 -0.295 0 O-C-N 123.859 0.724 . . . . 44.35 110.678 178.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -104.94 -16.95 14.69 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.389 0.515 . . . . 73.55 112.389 -176.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 42.9 p90 -64.66 -33.58 76.28 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.638 -0.425 . . . . 74.45 110.759 -177.778 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 24.8 p -71.76 -50.44 30.01 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.1 -0.5 . . . . 64.23 110.499 174.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 22.0 mm-40 -52.98 -40.54 63.82 Favored 'General case' 0 CA--C 1.53 0.207 0 CA-C-N 115.582 -0.736 . . . . 72.22 112.073 177.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . 0.531 ' O ' ' HG2' ' A' ' 101' ' ' LYS . . . -66.08 -32.18 73.49 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.53 -0.304 . . . . 62.02 111.212 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 38.5 t80 -79.97 -30.78 39.84 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.246 0.546 . . . . 60.41 110.181 178.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.707 ' HA ' ' HB1' ' A' ' 85' ' ' ALA . . . -62.61 -30.54 71.42 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.719 -0.673 . . . . 75.32 112.287 -176.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.531 ' HG2' ' O ' ' A' ' 98' ' ' ALA . 22.3 ptmt -69.6 -14.62 62.93 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 121.096 -0.242 . . . . 62.51 110.976 -177.642 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.44 -46.24 87.2 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.258 -0.645 . . . . 73.53 109.258 178.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.4 ' HG2' ' HA ' ' A' ' 85' ' ' ALA . 1.8 mpt? -70.51 -28.29 64.84 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.849 -0.614 . . . . 75.31 110.404 177.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.536 ' O ' ' HG3' ' A' ' 107' ' ' ARG . 26.6 t-20 -66.51 -32.72 74.25 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.005 -0.543 . . . . 73.53 110.837 178.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.52 ' CA ' HE21 ' A' ' 105' ' ' GLN . 0.0 OUTLIER -82.05 -39.38 23.56 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 116.185 -0.461 . . . . 72.23 111.351 173.666 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 90.5 t80 -70.12 -20.85 63.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.037 -0.529 . . . . 64.1 111.622 -177.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.536 ' HG3' ' O ' ' A' ' 104' ' ' ASN . 7.3 ppt_? -67.63 141.4 56.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.376 0.607 . . . . 74.04 111.419 -177.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -147.63 23.11 1.5 Allowed Glycine 0 N--CA 1.45 -0.387 0 N-CA-C 110.642 -0.983 . . . . 73.02 110.642 173.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.463 HG21 ' O ' ' A' ' 62' ' ' VAL . 4.2 mt -96.2 -25.37 4.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.191 -0.504 . . . . 73.42 111.418 -173.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -129.05 145.86 51.16 Favored 'General case' 0 C--N 1.316 -0.853 0 C-N-CA 120.221 -0.592 . . . . 71.11 111.233 -176.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 16.5 m -117.53 131.36 56.72 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.544 -0.91 . . . . 75.33 108.544 171.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.461 ' HD1' HG23 ' A' ' 74' ' ' ILE . 89.9 t80 -109.1 135.3 50.46 Favored 'General case' 0 C--N 1.324 -0.519 0 C-N-CA 120.633 -0.427 . . . . 73.34 110.755 -178.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -147.87 122.3 9.71 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.898 -0.779 . . . . 72.14 108.898 176.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -78.52 78.89 4.97 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.431 0.634 . . . . 64.03 109.594 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.4 p -106.49 122.13 59.97 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.54 0 CA-C-N 115.66 -0.7 . . . . 75.13 110.805 -179.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.46 ' C ' ' HD3' ' A' ' 116' ' ' LYS . 5.4 tmtm? -78.13 120.16 22.54 Favored 'General case' 0 C--N 1.318 -0.772 0 N-CA-C 109.08 -0.711 . . . . 64.41 109.08 177.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.573 ' HB3' ' HB2' ' A' ' 12' ' ' ASP . . . -69.95 100.9 1.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.087 0.47 . . . . 61.14 110.399 179.499 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 27.3 p80 -116.13 13.21 15.73 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.679 -0.691 . . . . 70.01 109.409 179.211 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.6 m -72.73 -29.53 63.42 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.549 -0.75 . . . . 73.21 111.285 -176.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 65.39 44.6 93.05 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.658 -0.782 . . . . 72.14 111.357 -175.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 60.0 t30 -96.62 177.24 5.73 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 109.74 -0.467 . . . . 63.43 109.74 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -46.18 -59.5 2.86 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 123.492 0.717 . . . . 70.22 112.187 -178.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -62.35 -26.57 68.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.0 -0.545 . . . . 74.03 111.754 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.426 ' C ' HD22 ' A' ' 124' ' ' ASN . 0.2 OUTLIER -70.88 -50.15 38.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.12 -0.491 . . . . 72.21 109.813 -177.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 31.1 m-20 -75.66 -26.46 57.71 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.11 -0.496 . . . . 72.41 110.983 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -62.69 -48.46 79.17 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.632 -0.258 . . . . 72.03 111.086 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 14.1 p -65.34 -31.48 54.03 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.295 0 CA-C-O 120.936 0.398 . . . . 64.01 110.603 -178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -61.26 -50.61 72.35 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.931 -0.577 . . . . 72.25 109.643 176.02 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 61.5 ttp -68.39 -33.1 73.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.516 -0.765 . . . . 71.23 110.572 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 40.5 tptt -61.06 -48.57 81.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.81 -0.632 . . . . 61.21 110.144 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -70.25 -32.45 70.29 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.105 -0.498 . . . . 65.23 110.727 178.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.691 ' HD2' HD12 ' A' ' 137' ' ' ILE . 21.1 tptm -56.09 -45.71 79.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.767 -0.651 . . . . 63.32 110.216 178.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 34.6 t -75.13 -35.64 61.67 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.656 -0.702 . . . . 62.14 110.835 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -66.11 -27.26 67.91 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.286 -0.415 . . . . 41.2 111.754 -176.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 97.2 mt -84.64 -11.72 55.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.19 0.519 . . . . 65.24 110.102 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 84.58 23.09 51.86 Favored Glycine 0 N--CA 1.441 -1.015 0 C-N-CA 120.614 -0.803 . . . . 53.05 112.875 177.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.691 HD12 ' HD2' ' A' ' 132' ' ' LYS . 63.1 mt -74.65 108.81 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 N-CA-C 109.788 -0.449 . . . . 72.42 109.788 178.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -108.15 -167.35 1.23 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.982 -0.554 . . . . 71.44 111.911 -174.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -86.97 167.48 14.22 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.479 -0.782 . . . . 62.51 110.748 -177.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 94.3 mt -92.07 -19.07 22.72 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.353 0.501 . . . . 64.4 112.353 -175.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -78.45 -30.91 47.76 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.679 -0.408 . . . . 73.52 110.787 -175.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.406 ' O ' ' HB2' ' A' ' 143' ' ' HIS . 2.0 t-80 -60.82 120.17 9.62 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 108.541 -0.911 . . . . 43.21 108.541 174.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . 0.406 ' HB2' ' O ' ' A' ' 142' ' ' HIS . 40.2 m80 64.57 83.02 0.17 Allowed 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 109.617 -0.512 . . . . 72.51 109.617 -168.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 -84.81 160.14 20.28 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.037 -0.528 . . . . 61.33 111.435 -174.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 12.3 t-80 -117.02 173.53 6.61 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.87 -0.605 . . . . 55.2 109.663 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -115.59 161.47 18.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.974 0.416 . . . . 61.31 111.45 -177.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 43.0 m-70 . . . . . 0 C--O 1.248 1.026 0 CA-C-N 115.694 -0.684 . . . . 73.14 109.731 175.719 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 68.3 mtt . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 110.014 -0.365 . . . . 73.32 110.014 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -111.81 120.41 41.87 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.186 0.517 . . . . 52.23 110.763 179.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.484 ' HB3' ' HE1' ' A' ' 7' ' ' TYR . 1.2 m-20 -104.0 92.42 4.38 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 107.659 -1.237 . . . . 51.54 107.659 179.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 30.9 mtt-85 -93.89 -1.7 54.4 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.902 0.705 . . . . 72.21 112.902 -168.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 62.0 p -104.38 162.97 12.77 Favored 'General case' 0 C--N 1.32 -0.699 0 C-N-CA 120.631 -0.428 . . . . 74.11 110.862 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -56.41 140.52 45.37 Favored 'General case' 0 C--N 1.331 -0.216 0 N-CA-C 109.889 -0.411 . . . . 74.44 109.889 175.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.639 ' CD1' ' HB2' ' A' ' 28' ' ' LYS . 23.1 m-85 -88.3 128.25 35.48 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.482 0.658 . . . . 51.43 111.08 -172.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.829 ' HB2' ' HE2' ' A' ' 10' ' ' TYR . 16.4 p-10 -112.87 94.62 4.99 Favored 'General case' 0 C--N 1.317 -0.82 0 CA-C-N 114.923 -1.035 . . . . 74.44 111.216 -176.367 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.546 ' O ' ' HA ' ' A' ' 74' ' ' ILE . 21.5 t -103.57 111.14 32.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 N-CA-C 109.455 -0.572 . . . . 70.13 109.455 179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.829 ' HE2' ' HB2' ' A' ' 8' ' ' ASP . 7.4 p90 -154.35 142.21 20.08 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.959 0.409 . . . . 72.45 111.475 -179.564 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.723 HG21 ' HA ' ' A' ' 24' ' ' TYR . 15.4 p -142.32 172.21 13.0 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.469 -0.787 . . . . 71.14 109.535 175.498 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -90.69 147.39 23.3 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.968 -0.382 . . . . 74.35 109.968 178.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -141.08 35.03 1.88 Allowed Glycine 0 N--CA 1.444 -0.795 0 C-N-CA 120.973 -0.632 . . . . 54.24 111.744 179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 t -103.02 122.5 44.76 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.944 -0.391 . . . . 62.23 109.944 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.555 ' HB3' ' HB3' ' A' ' 20' ' ' TYR . 6.3 p90 -68.21 106.06 2.31 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-O 121.431 0.634 . . . . 73.41 109.724 176.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.615 HG13 ' HE3' ' A' ' 132' ' ' LYS . 7.6 p -100.16 129.01 51.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.572 -0.74 . . . . 74.53 110.959 -173.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.415 ' OD1' HG22 ' A' ' 16' ' ' VAL . 22.3 m120 63.37 26.99 15.19 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.126 -0.943 . . . . 73.14 110.626 -176.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 85.29 -22.03 11.3 Favored Glycine 0 N--CA 1.448 -0.504 0 CA-C-N 115.758 -0.655 . . . . 54.45 112.815 179.394 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.608 ' HG2' ' HG ' ' A' ' 135' ' ' LEU . 2.0 mp0 -81.63 140.24 34.52 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.999 0.428 . . . . 71.41 110.85 -179.273 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.555 ' HB3' ' HB3' ' A' ' 15' ' ' TYR . 42.4 p90 -139.69 153.36 47.24 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.021 -0.536 . . . . 65.02 109.989 177.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.689 ' HB2' HG12 ' A' ' 39' ' ' VAL . . . -155.49 169.98 23.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.107 -0.497 . . . . 55.33 109.865 -178.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 20.3 p-90 -97.22 129.18 44.59 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.908 -0.775 . . . . 74.01 108.908 174.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -163.05 136.95 6.03 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 116.161 -0.472 . . . . 70.2 110.335 -174.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.723 ' HA ' HG21 ' A' ' 11' ' ' THR . 47.7 p90 -166.86 155.75 10.45 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.276 0.56 . . . . 60.13 110.915 178.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.455 ' H ' HG21 ' A' ' 11' ' ' THR . . . -142.64 126.6 17.27 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.379 -0.828 . . . . 63.32 109.14 177.203 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -84.3 96.45 9.02 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.55 0.69 . . . . 75.01 109.858 -179.031 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.65 HG13 ' O ' ' A' ' 8' ' ' ASP . 1.9 p -96.29 145.75 8.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 CA-C-N 114.528 -1.214 . . . . 74.25 109.446 176.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.639 ' HB2' ' CD1' ' A' ' 7' ' ' TYR . 0.0 OUTLIER -163.74 137.45 5.62 Favored 'General case' 0 C--N 1.321 -0.663 0 N-CA-C 109.355 -0.609 . . . . 52.0 109.355 176.658 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.427 ' HB2' ' HB3' ' A' ' 3' ' ' ASP . 9.1 t70 66.2 11.81 8.12 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 121.657 0.742 . . . . 74.12 109.945 178.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.75 -4.22 63.37 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.584 -0.734 . . . . 65.11 112.5 -178.648 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' O ' ' HA ' ' A' ' 27' ' ' VAL . 12.2 mptt -106.67 150.98 25.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.016 0.436 . . . . 72.13 111.172 -177.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 41.6 t -102.46 111.98 34.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 115.694 -0.685 . . . . 71.1 109.252 174.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -94.59 -15.76 23.79 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.527 -0.306 . . . . 64.25 111.25 -173.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.523 ' CE2' ' HG3' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -160.2 144.04 14.11 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 108.917 -0.771 . . . . 71.24 108.917 176.82 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -155.34 127.09 7.46 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.887 0.375 . . . . 60.24 111.612 -172.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -154.66 135.48 13.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.01 -0.541 . . . . 71.11 109.57 174.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -155.53 121.16 4.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.457 -0.338 . . . . 63.45 110.297 -177.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -166.68 164.51 16.76 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.893 0.378 . . . . 64.32 110.748 178.521 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.689 HG12 ' HB2' ' A' ' 21' ' ' ALA . 30.9 m -89.23 146.15 6.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-O 121.036 0.446 . . . . 63.34 111.321 -178.217 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.98 111.79 0.32 Allowed Glycine 0 N--CA 1.444 -0.806 0 C-N-CA 120.834 -0.698 . . . . 64.42 112.983 176.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 7.8 ptpt -92.18 174.38 7.34 Favored 'General case' 0 N--CA 1.443 -0.784 0 N-CA-C 107.951 -1.129 . . . . 52.24 107.951 171.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -143.54 144.61 28.28 Favored Pre-proline 0 C--N 1.31 -1.127 0 CA-C-N 116.647 -0.252 . . . . 71.21 110.536 -176.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -66.02 -16.15 51.35 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.91 2.407 . . . . 61.55 111.438 174.46 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.35 -7.46 37.54 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.51 -0.768 . . . . 73.44 111.083 177.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.91 -37.26 78.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.028 -0.533 . . . . 73.42 110.532 176.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -77.47 -27.02 51.88 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.887 -0.597 . . . . 72.01 110.704 -179.885 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 9.3 m -65.33 -46.29 80.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.07 -0.514 . . . . 75.33 110.688 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 49.6 ttm -96.64 -82.52 0.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.455 . . . . 63.32 110.34 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.765 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . 11.6 ptt180 -167.66 -51.16 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.678 -0.237 . . . . 62.42 110.703 178.401 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.529 ' N ' ' HG3' ' A' ' 49' ' ' ARG . 0.6 OUTLIER 50.78 -87.42 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.97 0.908 . . . . 71.21 112.212 -176.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.626 ' O ' HG12 ' A' ' 55' ' ' ILE . 29.7 t -65.88 -38.32 81.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 116.559 -0.292 . . . . 74.42 110.598 -176.385 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.765 ' HB3' ' HB2' ' A' ' 49' ' ' ARG . . . -55.7 -35.0 65.59 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.098 -0.501 . . . . 73.51 112.215 -176.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.48 -48.11 19.44 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.734 -0.746 . . . . 45.13 111.927 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.523 ' HG3' ' CE2' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -67.62 -26.56 66.3 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 120.689 0.28 . . . . 64.01 111.127 -178.38 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.626 HG12 ' O ' ' A' ' 51' ' ' VAL . 17.0 mm -55.3 -30.11 24.54 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.202 0 CA-C-N 116.019 -0.537 . . . . 54.55 111.742 176.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -49.08 -45.56 43.3 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.071 0.397 . . . . 51.21 112.071 -177.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -68.54 -33.69 74.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.864 0.364 . . . . 64.24 111.559 -177.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.608 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -77.38 -40.09 45.0 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.154 -0.475 . . . . 41.44 110.571 179.513 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.499 HD21 ' HE3' ' A' ' 63' ' ' LYS . 10.2 tt -59.81 -50.99 71.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.974 -0.557 . . . . 73.3 111.061 -176.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 44.1 m-85 -68.76 -28.35 66.72 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.96 -0.296 . . . . 72.23 110.536 179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.72 -37.11 85.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.627 -0.26 . . . . 45.33 110.509 177.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.608 HG23 ' O ' ' A' ' 58' ' ' ALA . 39.8 t -60.93 -45.04 99.08 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.169 0 CA-C-O 121.47 0.652 . . . . 75.24 109.516 174.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.499 ' HE3' HD21 ' A' ' 59' ' ' LEU . 77.6 mttt -66.95 -43.93 81.9 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.088 -0.96 . . . . 75.2 111.341 -178.364 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -62.17 -41.04 97.93 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.208 -0.451 . . . . 74.42 111.064 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.586 ' HB2' ' HD2' ' A' ' 7' ' ' TYR . . . -71.25 -32.22 68.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.624 0.249 . . . . 74.52 110.701 178.256 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.2 t -62.56 -41.05 98.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.078 -0.51 . . . . 42.45 110.066 176.069 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -75.85 -31.06 59.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.022 -0.536 . . . . 63.43 110.823 177.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 30.6 tp -74.36 -25.53 59.57 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.175 -0.466 . . . . 43.53 110.34 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 82.67 38.81 11.36 Favored Glycine 0 N--CA 1.451 -0.314 0 CA-C-N 115.973 -0.558 . . . . 73.24 112.824 177.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 30.4 m -134.72 176.43 8.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.821 0.343 . . . . 74.23 111.089 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 82.8 mttt -117.19 164.47 14.73 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.943 -0.571 . . . . 61.33 110.257 176.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.571 HG12 ' CD1' ' A' ' 110' ' ' TYR . 1.5 pp -122.95 158.71 27.43 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 N-CA-C 109.416 -0.587 . . . . 52.23 109.416 173.478 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -125.98 111.16 14.42 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.936 -0.394 . . . . 73.43 109.936 176.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.546 ' HA ' ' O ' ' A' ' 9' ' ' VAL . 0.1 OUTLIER -101.47 116.34 44.88 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 CA-C-O 121.924 0.869 . . . . 74.34 108.997 175.896 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.53 ' HA ' ' O ' ' A' ' 113' ' ' GLU . 6.2 mp -91.72 120.07 32.13 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.469 -0.787 . . . . 71.33 111.435 -173.035 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -178.16 -167.06 0.12 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.024 -0.535 . . . . 64.52 110.15 175.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -64.89 175.79 1.4 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.335 -0.848 . . . . 71.12 112.531 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.417 ' CE1' ' HD1' ' A' ' 112' ' ' PHE . 51.9 m-85 -118.37 15.89 13.89 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.291 -0.868 . . . . 73.15 110.803 174.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -94.14 -47.08 6.82 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.913 0.387 . . . . 73.02 111.068 -176.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -76.5 -9.03 86.17 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 121.062 -0.589 . . . . 52.45 113.247 -175.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.9 pp -70.98 -20.83 21.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.835 0.35 . . . . 71.12 111.221 -177.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.02 -23.68 62.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.29 -0.414 . . . . 75.35 111.185 -178.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -75.14 -15.34 60.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.041 -0.527 . . . . 71.23 110.671 -176.265 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 2.1 t-105 -73.11 -51.79 16.66 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.102 -0.703 . . . . 72.2 109.102 175.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.68 ' HB1' ' HA ' ' A' ' 100' ' ' ALA . . . -62.28 -40.55 96.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.425 -0.807 . . . . 51.1 110.859 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 25.3 p -87.81 20.78 2.88 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.084 -0.507 . . . . 75.32 111.144 179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -72.78 -7.68 70.52 Favored Glycine 0 C--N 1.333 0.388 0 C-N-CA 121.258 -0.496 . . . . 33.31 112.67 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -97.11 -59.27 1.83 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.315 -0.994 . . . . 74.12 108.315 175.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 24.9 t90 -154.63 161.52 41.55 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 108.003 -1.11 . . . . 75.23 108.003 177.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -70.82 128.81 37.31 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.181 -0.304 . . . . 74.24 110.181 -179.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.78 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -62.21 98.65 0.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.16 0.505 . . . . 72.52 111.166 -177.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.622 ' HE2' ' HA ' ' A' ' 92' ' ' LYS . 0.2 OUTLIER -124.26 -37.62 2.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.768 -0.651 . . . . 65.3 111.489 -175.764 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 45.1 t-20 -134.13 104.76 6.35 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.914 -0.314 . . . . 60.31 111.612 -173.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.1 mm-40 44.65 -84.03 0.01 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.975 1.472 . . . . 74.43 114.975 170.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 54.5 p90 -53.59 -37.62 63.15 Favored 'General case' 0 N--CA 1.463 0.213 0 N-CA-C 112.069 0.396 . . . . 72.31 112.069 -171.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.78 ' HB ' ' HA ' ' A' ' 91' ' ' ALA . 0.2 OUTLIER -69.26 -40.79 77.61 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.941 0.4 . . . . 60.35 110.756 178.951 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -65.23 -43.36 91.68 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-N 115.766 -0.652 . . . . 62.44 110.428 177.349 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.83 -49.02 76.56 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.575 -0.739 . . . . 74.24 110.495 178.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -62.64 -34.98 78.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.387 -0.369 . . . . 64.05 111.601 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.68 ' HA ' ' HB1' ' A' ' 85' ' ' ALA . . . -57.86 -48.67 79.12 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.095 0.474 . . . . 62.23 110.692 177.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -78.0 -25.7 48.17 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.014 -0.539 . . . . 70.2 110.485 -179.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 60.2 tp -65.19 -40.39 94.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 73.02 110.338 177.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.465 ' O ' ' HG2' ' A' ' 107' ' ' ARG . 96.6 mmm -64.82 -42.93 94.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.511 -0.313 . . . . 44.13 110.293 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 55.9 t30 -65.25 -37.59 87.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 74.0 110.464 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.405 HE21 ' C ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -54.96 -38.3 67.57 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.547 -0.751 . . . . 75.31 111.025 178.607 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -80.93 -18.44 47.1 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.19 -0.459 . . . . 72.23 111.602 -177.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.465 ' HG2' ' O ' ' A' ' 103' ' ' MET . 22.2 mmm180 -75.91 115.36 15.54 Favored 'General case' 0 C--N 1.325 -0.463 0 C-N-CA 120.235 -0.586 . . . . 52.4 110.239 -177.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -144.39 -43.48 0.05 OUTLIER Glycine 0 N--CA 1.449 -0.483 0 CA-C-N 115.463 -0.789 . . . . 54.22 111.174 178.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.635 ' H ' HD12 ' A' ' 109' ' ' ILE . 4.6 mp -64.84 -39.61 86.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.482 0.658 . . . . 73.52 109.313 173.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.573 ' CD1' HG22 ' A' ' 62' ' ' VAL . 2.5 m-85 -111.09 143.92 41.04 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.531 -0.759 . . . . 74.54 109.456 174.247 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.514 ' O ' HG22 ' A' ' 74' ' ' ILE . 77.4 p -156.23 162.78 40.12 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.444 -0.576 . . . . 54.32 109.444 176.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.417 ' HD1' ' CE1' ' A' ' 78' ' ' TYR . 0.9 OUTLIER -116.63 134.6 54.63 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.838 0.351 . . . . 75.12 110.23 179.76 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.53 ' O ' ' HA ' ' A' ' 75' ' ' LEU . 2.4 mp0 -131.74 136.89 47.95 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.94 -0.573 . . . . 62.04 110.66 -175.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.403 ' HB3' ' HE2' ' A' ' 78' ' ' TYR . 56.2 tptt -106.36 89.59 3.09 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.209 0.528 . . . . 74.35 109.715 173.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 7.7 p -135.3 137.12 50.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 115.66 -0.7 . . . . 74.24 109.488 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . . . . . . . . . 3.4 tmtp? -122.95 92.67 3.75 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.079 0.466 . . . . 70.31 109.836 -179.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -131.47 -80.07 0.52 Allowed 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.875 -0.602 . . . . 44.15 109.437 176.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 47.1 p-80 -101.67 32.54 3.33 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.822 -0.807 . . . . 72.41 108.822 172.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.8 m -84.02 29.36 0.56 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.879 -1.055 . . . . 72.44 111.773 -172.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -132.55 70.32 0.52 Allowed Glycine 0 N--CA 1.448 -0.561 0 N-CA-C 111.089 -0.804 . . . . 73.44 111.089 178.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -89.81 -176.42 4.94 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.793 0.33 . . . . 71.3 110.828 -178.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.32 -34.44 75.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.052 -0.522 . . . . 64.11 111.135 -178.223 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 95.2 m-85 -74.23 -26.62 60.34 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.072 -0.513 . . . . 71.44 111.286 -177.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -69.07 -44.42 72.6 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 109.416 -0.587 . . . . 73.11 109.416 174.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -62.14 -34.59 76.65 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.208 -0.906 . . . . 71.55 110.838 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.489 ' HA ' ' HE2' ' A' ' 129' ' ' MET . 65.3 t80 -58.78 -41.25 86.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.765 -0.652 . . . . 71.11 110.953 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 54.0 t -69.97 -38.74 76.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.11 -0.496 . . . . 74.31 111.063 -179.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -58.2 -49.14 78.11 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 120.927 0.394 . . . . 73.23 111.13 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . 0.489 ' HE2' ' HA ' ' A' ' 126' ' ' TYR . 54.4 mtm -58.88 -45.69 89.6 Favored 'General case' 0 C--O 1.237 0.416 0 CA-C-N 115.917 -0.583 . . . . 62.21 111.15 -178.503 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -66.42 -40.15 89.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.898 -0.592 . . . . 73.23 110.146 -177.482 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.63 -51.35 70.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.047 -0.524 . . . . 53.14 111.07 -179.046 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.615 ' HE3' HG13 ' A' ' 16' ' ' VAL . 32.4 mmtp -63.06 -38.77 92.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.796 0.331 . . . . 70.41 111.174 -179.237 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 46.6 m -65.48 -30.67 71.48 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.145 -0.48 . . . . 60.24 110.747 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.488 ' HB3' HG13 ' A' ' 39' ' ' VAL . . . -74.36 -21.26 59.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.267 -0.424 . . . . 74.4 111.429 -179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.608 ' HG ' ' HG2' ' A' ' 19' ' ' GLN . 1.3 mm? -85.37 -8.29 58.52 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 109.554 -0.536 . . . . 73.31 109.554 174.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 85.85 16.25 63.78 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.724 -0.75 . . . . 52.1 111.81 -177.221 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 71.9 mt -87.89 113.44 25.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.777 0.322 . . . . 64.43 110.419 -179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.12 172.77 12.63 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.072 -0.513 . . . . 75.3 109.748 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . 0.846 ' HB3' ' HB3' ' A' ' 142' ' ' HIS . 13.9 m-20 55.72 73.9 0.41 Allowed 'General case' 0 CA--C 1.518 -0.259 0 O-C-N 123.895 0.747 . . . . 72.45 111.565 178.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 6.5 mp -90.78 -37.79 13.42 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.649 -0.705 . . . . 62.23 109.132 176.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.88 27.88 3.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.045 -0.979 . . . . 61.34 109.888 178.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.846 ' HB3' ' HB3' ' A' ' 139' ' ' ASP . 21.1 p-80 -72.16 129.96 39.71 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.961 0.41 . . . . 63.12 110.631 -177.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -108.06 93.23 4.42 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.225 -0.443 . . . . 62.34 109.982 176.345 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -127.28 129.19 47.26 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.452 -0.573 . . . . 62.31 109.452 -178.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 78.7 m-70 -86.42 149.84 24.72 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.249 -0.432 . . . . 72.21 111.644 -171.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 50.4 t-80 72.55 -67.24 0.27 Allowed 'General case' 0 N--CA 1.468 0.473 0 O-C-N 124.046 0.841 . . . . 75.31 111.34 178.039 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 19.7 t60 . . . . . 0 C--O 1.248 0.975 0 CA-C-O 118.745 -0.645 . . . . 64.1 109.32 -178.748 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 41.2 ttp . . . . . 0 N--CA 1.48 1.041 0 CA-C-O 121.037 0.446 . . . . 63.12 110.179 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -139.09 99.02 3.65 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.985 0.421 . . . . 73.31 110.854 -178.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -91.69 89.79 7.27 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 121.675 0.75 . . . . 74.14 109.638 178.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -113.8 3.14 15.38 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.342 -0.844 . . . . 74.23 111.109 -176.155 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.3 t -86.96 164.09 16.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.166 -0.47 . . . . 72.21 110.955 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.529 ' HA ' HG22 ' A' ' 72' ' ' ILE . 1.4 mp0 -59.36 120.71 9.81 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.74 -0.664 . . . . 60.1 110.182 178.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.406 ' HD1' ' HB3' ' A' ' 28' ' ' LYS . 95.4 m-85 -72.28 142.36 48.9 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.248 -0.433 . . . . 55.01 110.446 -179.004 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -92.91 95.24 9.38 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 108.972 -0.751 . . . . 74.33 108.972 174.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.427 ' O ' ' HE1' ' A' ' 76' ' ' HIS . 50.3 t -94.48 127.0 46.8 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.859 0 CA-C-N 115.602 -0.727 . . . . 63.01 110.4 -174.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.58 ' O ' HG22 ' A' ' 11' ' ' THR . 66.0 m-85 -88.49 175.85 7.42 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.335 -0.393 . . . . 73.35 111.095 -178.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.904 ' HA ' ' HG2' ' A' ' 116' ' ' LYS . 2.7 t 58.39 4.44 0.34 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 125.309 1.444 . . . . 71.54 113.592 178.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.9 p-10 -74.7 80.74 2.05 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 121.677 0.751 . . . . 74.34 111.412 -178.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.2 -102.26 0.65 Allowed Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.635 -0.793 . . . . 63.21 112.708 -179.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . 0.418 ' HA ' ' CG ' ' A' ' 114' ' ' LYS . 11.8 p -165.05 -76.65 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.849 0.356 . . . . 75.11 110.605 -177.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.6 p90 -145.73 167.87 22.1 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.049 -0.523 . . . . 71.35 109.895 177.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.511 HG22 ' ND2' ' A' ' 17' ' ' ASN . 12.1 p -146.82 137.46 17.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 120.667 0.27 . . . . 61.4 110.502 178.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.511 ' ND2' HG22 ' A' ' 16' ' ' VAL . 52.1 m-80 60.74 26.68 16.46 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.033 -0.53 . . . . 74.23 110.802 -177.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 79.36 -3.93 65.33 Favored Glycine 0 CA--C 1.521 0.469 0 CA-C-N 116.083 -0.508 . . . . 63.3 112.445 -177.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.589 ' HB3' HD22 ' A' ' 135' ' ' LEU . 16.5 mm-40 -101.75 137.13 40.47 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 110.169 -0.308 . . . . 72.12 110.169 -178.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.6 p90 -120.03 146.6 45.74 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.976 0.417 . . . . 74.22 110.626 178.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.568 ' HB2' HD21 ' A' ' 135' ' ' LEU . . . -155.05 167.17 31.26 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.682 -0.69 . . . . 64.21 109.529 -178.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.446 ' CE2' ' HB3' ' A' ' 38' ' ' ASP . 35.2 p-90 -105.4 130.08 53.57 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.565 -0.531 . . . . 73.43 109.565 178.448 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -165.15 167.43 18.17 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.072 -0.513 . . . . 73.03 110.214 -176.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.498 ' HA ' ' CG2' ' A' ' 11' ' ' THR . 49.4 p90 -167.16 157.5 11.32 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 123.396 0.435 . . . . 70.43 110.93 177.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -141.57 102.23 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.427 -0.806 . . . . 45.2 109.906 174.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -90.42 109.96 21.07 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.197 0.522 . . . . 74.22 110.309 177.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.465 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 1.5 p -129.78 133.96 63.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-N 115.373 -0.83 . . . . 71.24 111.744 -174.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.406 ' HB3' ' HD1' ' A' ' 7' ' ' TYR . 0.6 OUTLIER -145.61 139.94 27.01 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.483 -0.781 . . . . 75.04 109.097 173.086 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 12.5 t70 64.83 15.17 9.7 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.544 0.688 . . . . 74.43 110.494 -178.088 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 88.93 -1.55 83.37 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.814 -0.708 . . . . 73.1 112.322 -177.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.465 ' O ' ' HA ' ' A' ' 27' ' ' VAL . 13.4 mptt -96.72 135.55 38.51 Favored 'General case' 0 CA--C 1.511 -0.526 0 CA-C-O 121.393 0.616 . . . . 72.24 110.222 178.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.6 p -109.24 124.04 65.6 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.108 0 CA-C-N 114.964 -1.016 . . . . 61.24 110.094 -178.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.46 ' CD2' ' HD1' ' A' ' 34' ' ' TYR . 85.1 t60 -72.93 -49.34 30.04 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.931 -0.577 . . . . 71.3 110.495 -177.092 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.46 ' HD1' ' CD2' ' A' ' 33' ' ' HIS . 8.0 m-85 -143.41 140.45 30.44 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.955 0.407 . . . . 75.44 110.555 176.173 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HB2' ' HB3' ' A' ' 126' ' ' TYR . 0.0 OUTLIER -130.6 119.06 21.92 Favored 'General case' 0 C--N 1.315 -0.928 0 CA-C-N 115.385 -0.825 . . . . 75.42 109.227 173.73 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -167.51 163.39 14.77 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.24 -0.652 . . . . 62.04 109.24 -177.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 130' ' ' LYS . . . -159.3 121.61 3.48 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.846 -0.427 . . . . 51.41 109.846 -178.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.504 ' O ' ' HB1' ' A' ' 21' ' ' ALA . 31.3 t70 -132.6 153.01 51.45 Favored 'General case' 0 C--N 1.319 -0.754 0 C-N-CA 120.867 -0.333 . . . . 71.11 110.287 -177.188 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.578 HG12 HD23 ' A' ' 135' ' ' LEU . 27.1 m -84.23 174.97 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.05 0.452 . . . . 71.24 111.856 -174.674 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.56 87.16 0.52 Allowed Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 111.362 -0.695 . . . . 62.12 111.362 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 54.3 mtpt -92.94 -168.05 1.86 Allowed 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 121.062 0.458 . . . . 61.42 110.864 -177.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 t30 -57.44 150.54 43.72 Favored Pre-proline 0 C--N 1.321 -0.648 0 CA-C-N 115.012 -0.994 . . . . 65.41 111.175 -179.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -57.68 -14.7 18.12 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 123.363 2.709 . . . . 70.41 112.906 -178.268 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -56.47 -45.72 80.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.398 -0.364 . . . . 70.12 110.812 176.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.25 -30.09 61.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.032 0.444 . . . . 71.11 110.662 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -72.13 -22.63 61.29 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 115.875 -0.602 . . . . 22.23 110.825 179.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 15.7 m -96.84 -49.3 5.11 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.619 -0.719 . . . . 41.33 110.418 178.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 66.1 mtm -88.98 67.79 8.22 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.565 0.698 . . . . 73.32 109.598 179.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.771 ' HB3' ' HB3' ' A' ' 52' ' ' ALA . 84.5 mtt180 -75.7 89.2 2.8 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.406 -0.815 . . . . 72.12 110.754 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -71.3 -65.31 0.77 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.69 0.281 . . . . 73.24 110.436 176.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 40.8 t -60.41 -48.6 87.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.088 -0.506 . . . . 70.04 110.674 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.771 ' HB3' ' HB3' ' A' ' 49' ' ' ARG . . . -68.78 -13.91 62.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.649 -0.705 . . . . 64.31 111.551 179.793 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -59.41 -38.13 93.01 Favored Glycine 0 N--CA 1.452 -0.266 0 CA-C-N 116.137 -0.483 . . . . 74.35 113.247 -177.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -65.42 -30.58 71.4 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 117.128 0.464 . . . . 72.2 110.101 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 48.4 mm -70.17 -36.65 68.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.083 -0.508 . . . . 64.31 109.804 177.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.05 -29.27 65.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.649 -0.705 . . . . 62.15 110.681 177.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -78.48 -37.78 42.5 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.126 -0.488 . . . . 74.45 110.218 176.176 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.402 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -67.0 -21.12 65.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.71 -0.677 . . . . 71.14 111.269 178.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 47.4 tp -50.68 -34.22 25.75 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.081 -0.509 . . . . 64.54 111.609 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -60.85 -48.88 79.78 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.486 -0.325 . . . . 60.35 110.606 176.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -67.55 -30.61 70.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.019 0.438 . . . . 61.23 110.472 178.3 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.502 HG11 ' HD1' ' A' ' 110' ' ' TYR . 82.0 t -65.02 -45.92 93.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.846 -0.616 . . . . 75.11 110.442 176.062 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -68.21 -32.82 73.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.547 0.689 . . . . 74.2 109.723 178.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 59.3 tttp -61.57 -33.03 73.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.001 -1.0 . . . . 65.12 110.788 174.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.418 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -64.72 -29.88 70.88 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-N 116.327 -0.397 . . . . 61.54 111.391 -178.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.7 m -60.01 -37.35 79.46 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.112 0.482 . . . . 71.41 110.049 175.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -82.98 -33.17 26.67 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.657 -0.702 . . . . 74.4 110.944 178.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 61.1 tp -68.42 -26.6 65.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.297 -0.41 . . . . 74.43 110.848 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 97.0 26.78 9.99 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.678 -0.773 . . . . 44.15 113.05 176.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.418 HG23 ' HB1' ' A' ' 65' ' ' ALA . 19.3 m -131.01 135.07 60.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.009 0.433 . . . . 64.35 110.766 178.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.88 ' HA ' HG23 ' A' ' 109' ' ' ILE . 14.4 ttpt -132.83 144.33 50.14 Favored 'General case' 0 N--CA 1.442 -0.858 0 CA-C-N 115.95 -0.568 . . . . 74.41 109.609 178.297 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.617 HG13 ' O ' ' A' ' 109' ' ' ILE . 2.1 pp -106.48 154.07 7.62 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.509 0 N-CA-C 108.404 -0.961 . . . . 73.2 108.404 174.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 34.8 mtp180 -83.52 101.87 11.73 Favored 'General case' 0 C--N 1.315 -0.926 0 CA-C-O 121.032 0.444 . . . . 74.12 111.06 -171.21 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.681 HD12 ' HE1' ' A' ' 112' ' ' PHE . 25.3 pt -67.09 131.91 32.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.682 -0.69 . . . . 62.13 109.645 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.5 mp 59.51 21.67 10.17 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.144 -0.48 . . . . 73.53 110.256 -176.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.427 ' HE1' ' O ' ' A' ' 9' ' ' VAL . 16.8 m80 56.75 46.55 19.8 Favored 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.475 -0.784 . . . . 75.14 111.627 -176.23 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 t70 70.65 90.15 0.1 Allowed 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.216 -0.902 . . . . 61.52 110.42 173.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 6.8 t80 -131.41 161.92 31.34 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.236 -0.438 . . . . 74.34 110.895 -173.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.13 -11.84 61.15 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.673 -0.694 . . . . 60.45 112.387 -177.368 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.738 ' HA2' ' HD2' ' A' ' 83' ' ' PHE . . . -51.96 -21.93 8.49 Favored Glycine 0 CA--C 1.522 0.494 0 CA-C-N 116.194 -0.457 . . . . 61.1 114.074 -176.411 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 2.8 pp -58.1 -25.21 25.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-N 116.904 0.352 . . . . 75.34 111.852 -179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.01 -25.77 53.04 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 120.885 0.374 . . . . 75.24 111.238 -179.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.741 ' HA ' ' HA2' ' A' ' 87' ' ' GLY . 98.3 m-85 -77.91 -42.47 33.06 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.328 -0.396 . . . . 73.23 110.756 -177.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 5.0 m-90 -73.98 -24.41 59.61 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.73 0.3 . . . . 75.13 110.866 177.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.535 ' HB1' ' HB1' ' A' ' 100' ' ' ALA . . . -69.79 -55.23 10.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.271 -0.422 . . . . 72.21 110.604 176.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 2.2 t -138.2 -48.44 0.54 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.138 -0.483 . . . . 74.42 110.79 179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.741 ' HA2' ' HA ' ' A' ' 83' ' ' PHE . . . 86.05 -61.58 4.47 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 121.126 -0.559 . . . . 61.35 112.998 175.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -65.63 -59.78 3.59 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.148 0.499 . . . . 53.23 111.034 -172.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 74.0 t-105 -151.68 159.66 43.92 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.784 -0.644 . . . . 73.34 109.299 179.396 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -61.84 164.25 6.58 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.09 0.471 . . . . 72.22 111.05 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.462 ' HB3' ' HG2' ' A' ' 97' ' ' GLN . . . -70.34 113.67 7.72 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.991 -0.549 . . . . 62.4 110.574 -177.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -78.67 67.16 4.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.819 -0.628 . . . . 73.53 111.49 -175.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 70.06 -24.39 0.16 Allowed 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 114.685 1.365 . . . . 64.23 114.685 169.002 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.873 ' HG2' ' H ' ' A' ' 95' ' ' PHE . 15.1 tt0 -77.76 -174.04 3.31 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 118.058 0.39 . . . . 75.33 111.053 -176.366 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . 0.873 ' H ' ' HG2' ' A' ' 94' ' ' GLU . 61.5 t80 -52.88 -29.23 27.07 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 123.746 0.818 . . . . 60.11 111.622 -177.724 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 25.4 m -48.72 -32.14 7.98 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 116.108 -0.496 . . . . 72.35 111.259 177.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.462 ' HG2' ' HB3' ' A' ' 91' ' ' ALA . 0.4 OUTLIER -57.23 -50.74 71.93 Favored 'General case' 0 C--N 1.333 -0.13 0 CA-C-N 116.384 -0.371 . . . . 73.02 110.609 176.475 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.03 -28.78 67.69 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.24 -0.436 . . . . 42.11 111.037 -177.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 85.6 t80 -75.09 -43.09 54.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.908 -0.587 . . . . 75.3 111.293 -178.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . 0.535 ' HB1' ' HB1' ' A' ' 85' ' ' ALA . . . -92.28 -15.37 27.52 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.422 0.527 . . . . 63.31 112.422 -173.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 36.3 ttpt -61.02 95.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.087 0.47 . . . . 75.34 111.661 -175.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 88.1 mt 61.37 25.49 15.44 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.196 -0.911 . . . . 73.31 112.229 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.511 ' HG2' ' HA ' ' A' ' 100' ' ' ALA . 4.5 ppp? -65.26 -36.15 83.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.615 0.245 . . . . 73.25 111.241 -179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.467 ' HA ' ' HG3' ' A' ' 107' ' ' ARG . 28.6 t-20 -70.73 -33.18 70.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.008 0.432 . . . . 62.41 110.531 -179.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.59 -18.69 63.64 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.582 -0.735 . . . . 75.12 111.128 178.272 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 71.8 t80 -92.1 -39.15 11.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.403 -0.362 . . . . 62.41 110.618 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.467 ' HG3' ' HA ' ' A' ' 104' ' ' ASN . 0.0 OUTLIER -79.39 154.48 28.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.209 -0.451 . . . . 74.23 110.621 178.146 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 46.8 77.52 0.1 Allowed Glycine 0 C--N 1.334 0.453 0 O-C-N 123.723 0.639 . . . . 54.0 113.387 174.615 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.88 HG23 ' HA ' ' A' ' 71' ' ' LYS . 32.7 mm -60.41 -25.42 34.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 111.803 0.297 . . . . 75.55 111.803 -177.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.502 ' HD1' HG11 ' A' ' 62' ' ' VAL . 1.7 p90 -92.53 159.26 15.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.88 0.371 . . . . 75.45 110.902 -175.608 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.603 ' HA ' HG22 ' A' ' 74' ' ' ILE . 8.5 t -74.41 174.97 8.16 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.978 -0.555 . . . . 74.21 110.416 -178.14 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.681 ' HE1' HD12 ' A' ' 74' ' ' ILE . 97.0 m-85 -98.53 168.47 10.16 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 110.319 -0.252 . . . . 64.32 110.319 -175.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . 0.549 ' O ' ' HD2' ' A' ' 114' ' ' LYS . 0.8 OUTLIER -94.68 107.65 19.65 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 122.088 0.946 . . . . 72.32 109.764 179.169 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.549 ' HD2' ' O ' ' A' ' 113' ' ' GLU . 13.8 mptt -151.1 152.82 33.95 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 114.571 -1.195 . . . . 74.44 109.869 -165.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 12.0 p -99.17 148.71 6.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.727 0.298 . . . . 63.53 110.603 175.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.904 ' HG2' ' HA ' ' A' ' 11' ' ' THR . 14.2 ptpt -158.39 172.52 18.19 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 110.265 -0.272 . . . . 65.3 110.265 176.521 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.489 ' O ' HG21 ' A' ' 16' ' ' VAL . . . 75.67 156.99 0.18 Allowed 'General case' 0 N--CA 1.466 0.346 0 O-C-N 124.427 1.08 . . . . 61.23 112.643 170.148 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 51.1 p-80 -126.44 1.05 6.96 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.202 -0.908 . . . . 54.11 110.121 178.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 12.9 t -149.9 -34.48 0.18 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.97 -0.559 . . . . 73.34 109.811 175.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 67.81 163.67 2.39 Favored Glycine 0 N--CA 1.447 -0.611 0 CA-C-O 121.468 0.482 . . . . 50.23 113.619 175.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 18.6 t-20 -76.5 176.15 8.56 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 107.98 -1.118 . . . . 64.51 107.98 169.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.455 ' O ' ' HB3' ' A' ' 125' ' ' ASP . 35.3 tt0 -51.01 -54.15 27.13 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 112.612 0.597 . . . . 74.11 112.612 -174.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 70.1 m-85 -76.47 -26.58 55.51 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.613 -0.267 . . . . 73.14 111.596 -179.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -72.1 -27.91 62.95 Favored 'General case' 0 C--N 1.331 -0.226 0 N-CA-C 109.694 -0.484 . . . . 71.3 109.694 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.594 ' HA ' ' HB3' ' A' ' 128' ' ' ASP . 12.9 t70 -53.18 -29.12 29.99 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 115.351 -0.84 . . . . 72.23 111.366 176.359 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.409 ' HB3' ' HB2' ' A' ' 35' ' ' GLU . 0.7 OUTLIER -58.4 -52.29 66.23 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.368 -0.378 . . . . 73.15 111.043 175.618 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . . . . . . . . . 92.6 t -76.86 -36.71 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.075 -0.511 . . . . 62.04 110.379 -179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.594 ' HB3' ' HA ' ' A' ' 125' ' ' ASP . 4.2 t70 -56.16 -55.24 35.55 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.049 -0.523 . . . . 61.24 111.12 176.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 43.8 ttp -60.94 -39.01 87.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.066 -0.515 . . . . 75.03 110.904 -178.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 11.0 mptt -69.73 -42.87 73.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.357 -0.383 . . . . 72.15 110.952 178.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -61.18 -44.68 96.92 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.336 -0.393 . . . . 73.51 110.536 178.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 80.3 mttt -56.95 -42.77 80.7 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.162 -0.472 . . . . 75.52 111.077 176.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 19.7 m -65.76 -42.08 91.34 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.312 -0.404 . . . . 75.3 110.859 -179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.439 ' HB1' HG13 ' A' ' 39' ' ' VAL . . . -73.49 -39.34 64.94 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.355 -0.384 . . . . 53.21 111.611 -178.427 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.589 HD22 ' HB3' ' A' ' 19' ' ' GLN . 98.5 mt -80.97 -17.67 49.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.357 -0.383 . . . . 70.42 110.654 -176.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 87.18 24.88 35.6 Favored Glycine 0 N--CA 1.443 -0.852 0 C-N-CA 120.099 -1.048 . . . . 61.0 112.458 177.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 49.1 mm -60.49 112.47 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.334 0.588 . . . . 62.05 110.913 -177.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.825 ' H ' ' HD3' ' A' ' 138' ' ' ARG . 0.1 OUTLIER -89.54 169.03 11.7 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.306 -0.861 . . . . 50.22 110.317 178.744 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 20.0 m-20 -55.55 131.7 46.85 Favored 'General case' 0 N--CA 1.466 0.327 0 O-C-N 123.629 0.581 . . . . 73.03 111.418 -176.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 89.7 mt -71.9 -24.14 61.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.259 0.552 . . . . 71.21 110.338 -179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -93.59 22.77 5.12 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.929 -0.578 . . . . 73.24 111.285 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 9.2 p80 -54.86 128.78 34.71 Favored 'General case' 0 C--O 1.231 0.131 0 CA-C-N 116.516 -0.311 . . . . 72.11 110.192 178.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -48.07 128.33 13.64 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 113.155 0.798 . . . . 65.25 113.155 -172.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 38.3 t60 -109.93 128.88 55.64 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.545 -1.207 . . . . 72.14 108.499 176.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -68.24 102.68 1.41 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.132 0.491 . . . . 71.14 109.928 -176.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -91.06 121.04 32.53 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.776 -0.647 . . . . 60.22 109.414 -176.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 50.9 t-80 . . . . . 0 C--O 1.249 1.063 0 O-C-N 123.961 0.788 . . . . 72.41 110.338 179.423 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 mpp? . . . . . 0 N--CA 1.478 0.966 0 N-CA-C 109.496 -0.557 . . . . 53.11 109.496 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -97.27 82.58 3.17 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 108.287 -1.005 . . . . 73.54 108.287 170.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -124.37 20.69 8.79 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.311 -0.858 . . . . 65.53 111.52 -170.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -82.67 50.4 1.66 Allowed 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.14 -0.482 . . . . 74.11 110.476 179.136 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 3.3 t -139.79 95.29 2.88 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.876 -0.33 . . . . 62.04 111.79 -178.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 43.29 91.01 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 115.19 -0.913 . . . . 74.02 112.925 173.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.471 ' O ' ' HB ' ' A' ' 72' ' ' ILE . 74.0 m-85 -72.64 155.55 39.89 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.466 -0.788 . . . . 65.22 110.899 -175.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -109.68 124.99 52.15 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.15 0.5 . . . . 72.31 110.01 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.0 t -129.27 122.85 56.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-N 115.881 -0.6 . . . . 75.21 109.738 179.796 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.495 ' HB3' ' OD1' ' A' ' 124' ' ' ASN . 58.7 m-85 -101.97 137.89 39.66 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.122 -0.49 . . . . 74.15 110.287 179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.8 t -168.27 148.32 4.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.018 -0.537 . . . . 73.4 110.282 -179.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -132.93 144.06 49.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.349 -0.387 . . . . 71.45 110.216 177.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -82.73 73.21 2.7 Favored Glycine 0 N--CA 1.441 -0.976 0 C-N-CA 120.664 -0.779 . . . . 65.42 111.315 177.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 55.0 m -78.07 103.09 7.79 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 120.966 0.412 . . . . 60.14 110.799 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -144.95 144.7 31.2 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.855 -0.612 . . . . 70.32 109.667 175.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 14.0 p -169.38 139.05 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-N 116.315 -0.402 . . . . 61.13 110.621 178.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 63.35 28.33 15.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.903 -0.589 . . . . 71.45 111.333 171.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 91.21 -14.96 62.25 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.64 -0.79 . . . . 70.43 112.163 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.402 ' HB3' HD22 ' A' ' 135' ' ' LEU . 7.9 mm-40 -89.08 140.29 29.6 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.825 0.345 . . . . 72.53 110.66 178.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.657 ' HE1' ' H ' ' A' ' 41' ' ' LYS . 25.0 p90 -147.6 140.32 24.78 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.891 -0.595 . . . . 74.33 110.745 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.48 154.43 46.1 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.989 -0.551 . . . . 64.21 110.051 177.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.533 ' HB3' ' HE2' ' A' ' 41' ' ' LYS . 32.7 p-90 -114.51 130.41 56.74 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.997 0.427 . . . . 74.05 110.086 177.073 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.778 ' HB1' HG22 ' A' ' 127' ' ' VAL . . . -145.64 136.15 24.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.736 -0.665 . . . . 61.5 110.147 -177.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 94.4 m-85 -142.57 138.48 30.84 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.385 -0.37 . . . . 73.41 110.47 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.461 ' HB3' ' HB2' ' A' ' 10' ' ' TYR . . . -119.68 104.91 10.67 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.883 -0.599 . . . . 73.54 110.038 175.453 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.493 ' HD2' ' HB2' ' A' ' 34' ' ' TYR . 97.3 m-85 -90.79 98.91 12.06 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.968 -0.56 . . . . 61.14 110.163 -179.047 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.51 ' HA ' ' HA ' ' A' ' 32' ' ' VAL . 3.0 p -106.71 124.59 62.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.427 0.632 . . . . 65.31 111.066 -175.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -133.21 131.13 39.97 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.836 -0.62 . . . . 74.42 109.838 179.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.3 m-20 68.19 10.31 7.75 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-N 116.002 -0.545 . . . . 55.23 110.752 -178.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 96.36 1.98 60.56 Favored Glycine 0 N--CA 1.447 -0.623 0 C-N-CA 120.819 -0.705 . . . . 74.43 111.638 -176.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -113.77 126.97 55.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.36 . . . . 75.14 110.358 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.51 ' HA ' ' HA ' ' A' ' 27' ' ' VAL . 5.9 p -85.63 106.95 15.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.846 0 CA-C-O 121.588 0.708 . . . . 71.53 110.238 179.022 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -78.21 -43.47 28.39 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.906 -0.588 . . . . 63.45 110.271 -174.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.493 ' HB2' ' HD2' ' A' ' 26' ' ' PHE . 94.3 m-85 -122.65 139.23 54.18 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.227 -0.442 . . . . 61.1 110.131 179.441 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -161.64 120.42 2.4 Favored 'General case' 0 C--N 1.327 -0.391 0 O-C-N 123.556 0.535 . . . . 72.32 109.732 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -165.84 157.15 13.82 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.995 -0.372 . . . . 75.33 109.995 179.447 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.542 ' HB3' ' HB3' ' A' ' 130' ' ' LYS . . . -143.47 108.47 4.95 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.478 -0.328 . . . . 70.25 110.558 179.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -116.04 148.07 40.58 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.547 -0.538 . . . . 71.41 109.547 -177.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.9 m -93.41 136.08 26.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.131 0.491 . . . . 71.23 111.207 -177.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 88.4 108.34 1.04 Allowed Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.569 -0.824 . . . . 53.4 112.189 -177.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.657 ' H ' ' HE1' ' A' ' 20' ' ' TYR . 86.7 mttt -92.14 96.47 10.34 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.794 -0.447 . . . . 70.31 109.794 179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 88.1 m-20 -134.38 144.75 52.4 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.2 -0.454 . . . . 74.41 111.029 -175.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -66.57 -11.48 31.92 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.917 2.412 . . . . 64.31 112.456 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.2 -22.6 63.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.055 -0.52 . . . . 72.12 111.209 178.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.16 -28.3 69.56 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.262 -0.426 . . . . 71.43 110.932 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.825 ' HB2' ' HB3' ' A' ' 52' ' ' ALA . . . -78.22 -30.04 48.6 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.308 -0.406 . . . . 74.41 110.631 179.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.1 m -79.99 -43.81 21.33 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.054 -0.521 . . . . 72.11 110.642 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 52.0 ttm -80.2 -67.54 0.76 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.048 -0.524 . . . . 72.21 111.473 -177.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 23.4 mmm180 -89.05 -14.86 35.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.595 -0.275 . . . . 61.11 111.286 -171.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.481 ' HA ' ' O ' ' A' ' 46' ' ' ALA . 9.1 t-20 69.96 -1.46 2.36 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.241 0.617 . . . . 74.03 111.603 175.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 55' ' ' ILE . 58.8 t -56.83 -43.02 79.14 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 CA-C-N 116.184 -0.462 . . . . 54.32 111.853 -175.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.825 ' HB3' ' HB2' ' A' ' 46' ' ' ALA . . . -62.99 -21.93 66.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.631 0.253 . . . . 52.44 111.652 -176.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -74.34 -50.98 9.01 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.909 -0.662 . . . . 45.41 112.192 177.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -71.4 -33.99 69.97 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 111.972 0.36 . . . . 73.14 111.972 -175.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.509 HG12 ' O ' ' A' ' 51' ' ' VAL . 40.5 pt -71.12 -29.42 36.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.737 0.303 . . . . 54.23 111.547 -179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -52.61 -24.4 8.29 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.775 -0.648 . . . . 54.32 112.324 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.02 -31.98 67.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.004 0.431 . . . . 73.41 111.197 177.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -71.56 -23.82 61.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 74.11 111.285 -178.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.4 tt -63.0 -40.99 99.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.968 0.413 . . . . 72.51 110.023 -179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -74.4 -25.86 59.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.249 -0.432 . . . . 73.41 111.402 -179.089 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -65.05 -41.95 94.69 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.108 0.48 . . . . 51.05 109.721 173.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 78.1 t -69.75 -34.75 62.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.67 -0.695 . . . . 73.11 110.255 175.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.6 tmtt? -59.54 -44.53 93.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.814 -0.63 . . . . 71.43 110.168 177.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -70.69 -28.24 64.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.265 -0.425 . . . . 63.13 110.989 -179.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.415 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -56.36 -35.32 67.53 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.298 0.481 . . . . 64.12 112.298 -176.47 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.849 ' HB3' HD11 ' A' ' 109' ' ' ILE . 61.7 p -60.22 -38.2 82.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.16 0.505 . . . . 65.12 111.025 179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -66.49 -35.67 80.84 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.492 -0.777 . . . . 73.33 110.561 -177.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 9.6 mp -84.16 -25.54 29.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.808 -0.633 . . . . 71.41 110.635 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 90.32 18.87 47.9 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.879 -0.677 . . . . 74.14 111.916 -178.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.415 HG23 ' HB1' ' A' ' 65' ' ' ALA . 30.1 m -99.61 158.0 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 N-CA-C 109.944 -0.391 . . . . 70.41 109.944 178.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.0 ptpt -153.45 -179.7 8.0 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.565 -0.289 . . . . 74.33 110.279 -173.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.641 HG12 ' O ' ' A' ' 109' ' ' ILE . 32.5 pt -114.48 -176.34 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 108.879 -0.785 . . . . 62.11 108.879 171.323 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 47.6 ttt180 -132.74 119.53 20.46 Favored 'General case' 0 C--N 1.32 -0.696 0 C-N-CA 120.134 -0.626 . . . . 73.21 111.195 -178.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 112' ' ' PHE . 5.8 tp -101.23 113.83 38.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.887 -0.597 . . . . 72.03 109.911 175.498 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 75' ' ' LEU . 4.0 mm? 62.09 -81.53 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.492 0 CA-C-N 115.637 -0.71 . . . . 63.5 112.376 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 69.5 m-70 -137.21 -76.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.763 0.283 . . . . 75.4 111.763 -176.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.415 ' O ' ' HE3' ' A' ' 116' ' ' LYS . 4.1 p30 -133.82 160.44 37.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.166 0.508 . . . . 65.04 112.131 -172.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 14.0 p90 -154.88 26.82 0.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.259 -0.882 . . . . 71.41 109.357 173.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.42 -13.7 60.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.173 -0.922 . . . . 53.52 112.133 -172.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -52.88 -46.87 60.16 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 121.134 -0.555 . . . . 61.51 112.94 -178.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 34.8 pt -74.91 -20.13 16.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.963 0.411 . . . . 74.33 111.399 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -80.58 -23.6 39.77 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.414 -0.357 . . . . 63.34 111.152 -177.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.538 ' CD2' ' HB2' ' A' ' 88' ' ' GLU . 12.0 t80 -66.27 -19.53 65.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.83 -0.623 . . . . 72.32 110.844 -177.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 34.1 m95 -64.59 -37.63 88.24 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.108 -0.496 . . . . 73.31 110.842 176.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.621 ' HB3' HH21 ' A' ' 107' ' ' ARG . . . -76.71 -29.31 56.21 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.993 -0.549 . . . . 72.25 111.61 -175.399 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.6 p -80.74 -35.46 33.33 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.873 -0.331 . . . . 62.1 111.304 -177.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 146.48 48.98 0.03 OUTLIER Glycine 0 N--CA 1.447 -0.573 0 C-N-CA 119.52 -1.324 . . . . 33.42 114.122 173.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.538 ' HB2' ' CD2' ' A' ' 83' ' ' PHE . 41.4 tt0 -81.13 -44.51 17.8 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 117.56 0.68 . . . . 71.55 109.341 171.223 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 71.2 t-105 -90.55 126.2 35.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.398 -0.819 . . . . 61.21 109.216 178.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 38.4 mtmt -73.27 125.52 27.97 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.938 0.399 . . . . 70.45 110.762 -177.362 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . 0.524 ' HA ' ' HB ' ' A' ' 96' ' ' THR . . . -72.85 134.97 45.09 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.818 -0.628 . . . . 74.3 110.542 178.76 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -55.87 -64.08 0.97 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.76 -0.459 . . . . 72.54 109.76 175.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 55.3 m-20 -147.78 -85.52 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.357 -0.838 . . . . 72.11 109.523 174.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -109.17 -30.06 8.21 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.555 -0.293 . . . . 61.5 111.413 178.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -52.67 -56.08 18.0 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.847 0.356 . . . . 72.24 111.926 -176.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.524 ' HB ' ' HA ' ' A' ' 91' ' ' ALA . 1.3 m -68.33 -38.21 81.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.18 -0.464 . . . . 65.44 111.275 -176.844 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.631 ' O ' ' HG3' ' A' ' 101' ' ' LYS . 27.4 mt-30 -68.16 -32.99 73.64 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.467 -0.333 . . . . 62.53 111.222 -178.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -57.73 -37.27 73.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.855 0.359 . . . . 62.02 110.706 177.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 91.4 t80 -69.13 -42.25 76.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.018 -0.537 . . . . 72.21 110.505 176.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.95 -21.46 66.42 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.964 -0.562 . . . . 62.33 111.677 -177.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.631 ' HG3' ' O ' ' A' ' 97' ' ' GLN . 88.1 mttt -82.43 -11.1 58.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.373 -0.376 . . . . 70.21 111.008 -179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 47.7 tp -117.77 -11.16 10.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 74.14 111.34 -177.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.455 ' SD ' ' HB2' ' A' ' 85' ' ' ALA . 24.6 ttt -63.57 -25.33 68.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.361 -0.381 . . . . 61.1 111.842 -174.56 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 58.7 t30 -49.68 -38.81 34.28 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.858 0.361 . . . . 61.44 111.677 176.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.434 HE21 ' C ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -68.95 -33.69 74.13 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.232 0.539 . . . . 62.32 110.774 179.295 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 83.9 t80 -80.86 -5.77 57.75 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.721 -0.672 . . . . 72.03 111.548 -177.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.621 HH21 ' HB3' ' A' ' 85' ' ' ALA . 25.0 mmt85 -56.43 155.16 7.42 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.341 0.591 . . . . 72.42 112.082 -177.162 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . -79.7 69.75 2.98 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.654 -0.703 . . . . 74.22 111.825 177.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.849 HD11 ' HB3' ' A' ' 66' ' ' SER . 19.8 mt -64.94 -31.78 55.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.04 0.448 . . . . 73.31 110.906 -178.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . . . . . . . . . 14.1 p90 -103.13 171.23 7.5 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.595 -0.73 . . . . 74.31 110.802 -177.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.563 ' N ' HD11 ' A' ' 72' ' ' ILE . 14.2 p -79.55 130.92 35.83 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.77 -0.65 . . . . 54.53 112.039 -173.383 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . 0.539 ' O ' HG12 ' A' ' 74' ' ' ILE . 97.7 m-85 -109.03 171.9 7.17 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.705 -0.68 . . . . 75.12 109.366 173.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -96.0 118.55 32.84 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.451 0.643 . . . . 74.21 109.596 175.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 44.2 tptt -151.58 139.22 19.69 Favored 'General case' 0 C--N 1.317 -0.805 0 CA-C-N 115.522 -0.763 . . . . 73.1 109.802 -175.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 6.0 p -74.49 98.21 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 121.901 0.858 . . . . 52.23 111.175 179.021 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.415 ' HE3' ' O ' ' A' ' 77' ' ' ASP . 73.3 mmtt -120.95 114.34 21.4 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.378 -0.828 . . . . 73.45 109.642 176.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 68.47 -178.97 0.22 Allowed 'General case' 0 C--O 1.233 0.206 0 O-C-N 124.022 0.826 . . . . 44.11 110.39 -175.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -136.09 5.21 3.03 Favored 'General case' 0 C--N 1.322 -0.601 0 C-N-CA 120.448 -0.501 . . . . 71.13 110.82 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.5 m -84.94 -35.48 22.05 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.829 0.307 . . . . 72.24 111.829 -175.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . 69.08 155.03 0.84 Allowed Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.867 -0.682 . . . . 43.03 112.274 -174.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -113.19 146.9 38.49 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.037 -0.727 . . . . 55.5 109.037 173.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . 0.63 ' HA ' ' HB3' ' A' ' 125' ' ' ASP . 44.1 mt-10 -75.73 -18.07 59.7 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 111.908 0.336 . . . . 72.22 111.908 -173.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -67.2 -36.94 82.79 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.419 -0.586 . . . . 74.04 109.419 170.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.495 ' OD1' ' HB3' ' A' ' 10' ' ' TYR . 7.8 t30 -77.95 -35.55 50.24 Favored 'General case' 0 C--O 1.222 -0.345 0 CA-C-N 115.502 -0.772 . . . . 72.02 109.849 174.245 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.63 ' HB3' ' HA ' ' A' ' 122' ' ' GLU . 23.1 t70 -52.85 -37.14 59.87 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 115.571 -0.741 . . . . 74.24 112.507 -175.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -70.68 -45.86 64.25 Favored 'General case' 0 C--N 1.324 -0.536 0 C-N-CA 120.512 -0.475 . . . . 74.41 111.221 -177.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.778 HG22 ' HB1' ' A' ' 23' ' ' ALA . 8.0 p -74.01 -29.02 24.61 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 CA-C-O 121.132 0.492 . . . . 71.12 110.057 178.385 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -64.18 -49.32 72.53 Favored 'General case' 0 C--O 1.235 0.341 0 CA-C-N 115.778 -0.646 . . . . 64.21 109.418 174.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 44.2 ttm -56.05 -42.38 76.48 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.931 -1.031 . . . . 73.4 110.349 177.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.542 ' HB3' ' HB3' ' A' ' 37' ' ' ALA . 71.3 mmtt -54.74 -53.55 53.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 71.43 111.394 179.179 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -68.03 -45.16 74.73 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.115 -0.493 . . . . 75.53 111.542 -176.138 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 53.8 mttp -71.53 -35.38 70.66 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.51 0.559 . . . . 74.2 112.51 -173.534 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 68.9 p -73.09 -29.96 63.31 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.933 0.397 . . . . 70.34 110.481 178.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -74.23 -19.62 60.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.961 177.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.402 HD22 ' HB3' ' A' ' 19' ' ' GLN . 84.7 mt -93.76 -17.84 22.71 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.47 . . . . 73.34 110.574 177.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.516 ' O ' ' HD3' ' A' ' 138' ' ' ARG . . . 98.91 25.25 9.83 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.186 -1.007 . . . . 62.02 113.316 176.765 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 48.7 mm -80.61 119.96 31.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 117.21 0.505 . . . . 54.41 111.001 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 136' ' ' GLY . 0.4 OUTLIER -120.49 128.05 52.78 Favored 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.525 -0.307 . . . . 70.31 110.197 177.271 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 50.26 74.27 0.23 Allowed 'General case' 0 N--CA 1.468 0.443 0 O-C-N 123.687 0.617 . . . . 74.41 112.004 176.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -81.18 -68.03 0.73 Allowed 'General case' 0 C--N 1.316 -0.868 0 N-CA-C 109.57 -0.529 . . . . 71.42 109.57 -179.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -105.5 2.05 28.14 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.55 0.69 . . . . 75.53 109.491 178.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 41.2 t-80 -80.82 99.4 8.27 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.514 -0.767 . . . . 74.24 110.063 179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 30.3 t-80 -169.49 136.3 1.67 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 74.13 110.614 -177.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -73.05 113.71 10.39 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.329 -0.396 . . . . 74.11 110.538 177.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 55.4 p-80 -145.88 133.54 21.02 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.863 0.364 . . . . 75.44 110.786 -177.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -93.85 -25.3 17.41 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.358 -0.608 . . . . 74.04 109.358 175.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 43.4 m80 . . . . . 0 C--O 1.246 0.908 0 CA-C-N 115.379 -0.828 . . . . 73.23 109.126 174.175 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.2 ttm . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 110.109 -0.33 . . . . 75.43 110.109 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -106.87 83.72 1.88 Allowed 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 108.905 -0.776 . . . . 63.12 108.905 176.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -106.22 87.28 2.52 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.368 -0.833 . . . . 74.53 110.083 -172.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 65.7 mtt180 -106.53 6.8 30.44 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.707 -0.679 . . . . 73.22 110.047 -178.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.5 t -109.38 128.26 54.98 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.645 -0.707 . . . . 72.14 110.756 -176.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.458 ' H ' ' HB ' ' A' ' 70' ' ' VAL . 24.9 mm-40 54.91 83.01 0.09 Allowed 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 115.946 -0.57 . . . . 63.41 111.508 177.388 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.766 ' HB2' HG22 ' A' ' 72' ' ' ILE . 65.5 m-85 -79.89 128.85 33.95 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.034 0.445 . . . . 74.04 111.101 -179.635 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.401 ' HB2' HG13 ' A' ' 27' ' ' VAL . 64.1 m-20 -88.26 108.77 19.48 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.146 0.498 . . . . 73.33 110.469 179.441 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.539 ' O ' ' HB3' ' A' ' 73' ' ' ARG . 43.8 t -129.42 112.59 25.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-N 115.569 -0.741 . . . . 74.4 109.343 178.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.1 p90 -121.12 171.57 8.59 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.265 0.555 . . . . 71.04 111.675 -176.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.2 t -155.25 141.78 18.76 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.919 -1.037 . . . . 73.21 108.504 179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -77.68 154.4 32.17 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.909 0.385 . . . . 73.15 110.812 -175.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -129.7 16.19 5.63 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.484 -0.865 . . . . 53.11 112.918 -178.023 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 93.9 p -92.75 118.49 31.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.278 0.561 . . . . 51.43 110.385 -178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -108.53 142.97 38.15 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.926 -0.579 . . . . 71.23 109.732 178.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.484 HG22 ' ND2' ' A' ' 17' ' ' ASN . 11.4 p -134.23 139.88 47.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.422 -0.354 . . . . 62.21 110.116 -176.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . 0.484 ' ND2' HG22 ' A' ' 16' ' ' VAL . 48.9 m-80 58.96 26.95 15.64 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.92 0.39 . . . . 65.31 110.912 -177.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 70.24 13.59 70.52 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.848 -0.691 . . . . 42.35 112.349 -178.542 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.519 ' HB3' HD22 ' A' ' 135' ' ' LEU . 54.8 mt-30 -105.79 139.35 40.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 75.42 110.562 179.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 53.2 p90 -143.22 157.42 44.51 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.972 -0.558 . . . . 73.44 109.849 177.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.58 169.36 19.14 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.103 -0.499 . . . . 64.15 109.784 -178.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . . . . . . . . . 65.1 p-90 -95.75 131.04 42.45 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.504 -0.554 . . . . 74.43 109.504 177.075 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.519 ' HB1' HG22 ' A' ' 127' ' ' VAL . . . -137.61 136.79 37.85 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.021 -0.536 . . . . 64.4 110.627 -176.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.8 m-85 -135.25 138.68 43.78 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.097 0.475 . . . . 71.11 110.935 179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . . . . . . . . . . . -137.71 115.69 11.59 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.595 -0.73 . . . . 61.21 110.087 176.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.564 ' HB2' ' HB2' ' A' ' 34' ' ' TYR . 90.4 m-85 -85.16 109.29 18.18 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.912 -0.585 . . . . 73.22 110.064 -179.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.401 HG13 ' HB2' ' A' ' 8' ' ' ASP . 2.6 p -108.39 122.91 63.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.567 -0.742 . . . . 63.12 111.597 -175.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.5 mmmm -127.59 135.19 49.95 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.504 -0.771 . . . . 54.23 109.235 177.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 66.89 14.8 9.97 Favored 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.504 0.502 . . . . 73.23 110.556 -179.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 86.85 0.08 86.05 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.692 -0.766 . . . . 55.3 112.15 -176.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.758 ' HE3' ' HA ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -109.76 142.34 41.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 75.35 110.554 179.198 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 42.4 t -89.27 120.16 37.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 116.286 -0.415 . . . . 74.45 109.951 -179.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -103.98 -33.97 8.63 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.85 0.357 . . . . 72.13 111.243 -177.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.564 ' HB2' ' HB2' ' A' ' 26' ' ' PHE . 98.0 m-85 -122.64 140.98 52.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.869 -0.419 . . . . 71.11 109.869 179.171 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -149.73 133.78 17.11 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.199 -0.455 . . . . 72.34 110.552 -177.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 34.1 t0 -164.19 160.21 21.04 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.009 0.433 . . . . 74.43 110.832 174.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -169.6 140.23 2.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.531 -0.759 . . . . 62.52 109.631 -177.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -159.15 176.38 12.31 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.488 -0.56 . . . . 72.12 109.488 -179.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 t -120.69 154.28 24.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.683 0.278 . . . . 74.44 110.556 -175.646 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.92 138.82 10.39 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.959 -0.639 . . . . 60.02 113.063 176.271 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -133.36 103.14 5.82 Favored 'General case' 0 C--N 1.327 -0.392 0 N-CA-C 109.824 -0.435 . . . . 75.43 109.824 176.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -119.98 159.58 46.4 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 116.372 -0.377 . . . . 74.23 110.176 -178.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_endo -56.91 -34.22 96.67 Favored 'Trans proline' 0 C--N 1.347 0.484 0 C-N-CA 122.545 2.163 . . . . 75.43 112.001 177.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.57 -12.54 59.98 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.469 . . . . 62.12 111.076 179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.493 ' HB1' ' HE2' ' A' ' 48' ' ' MET . . . -90.11 5.59 46.15 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 44.1 110.983 -177.318 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.13 -28.64 69.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.266 0.555 . . . . 51.05 110.29 176.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 11.6 m -93.64 -45.48 7.69 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.672 -0.694 . . . . 65.53 109.74 174.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.493 ' HE2' ' HB1' ' A' ' 45' ' ' ALA . 54.1 tpp 71.72 -61.06 0.5 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.017 -0.992 . . . . 72.13 111.84 176.475 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 15.8 ttt180 -178.44 -162.25 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.168 -0.679 . . . . 74.53 109.168 -173.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -56.5 -22.98 36.35 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 120.864 0.364 . . . . 75.04 110.862 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.457 ' O ' HG12 ' A' ' 55' ' ' ILE . 31.8 t -51.21 -34.56 14.71 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.254 0 CA-C-N 115.649 -0.705 . . . . 74.13 111.965 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.02 -38.13 78.52 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-O 120.759 0.314 . . . . 72.24 111.199 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.58 -34.68 56.62 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.553 -0.832 . . . . 63.32 111.676 177.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 35.2 mt-10 -68.97 -42.97 75.87 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.645 0.26 . . . . 61.44 110.923 -178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.457 HG12 ' O ' ' A' ' 51' ' ' VAL . 29.3 pt -69.73 -31.68 49.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.843 0.354 . . . . 72.44 110.793 178.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.16 -36.42 83.57 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.132 -0.485 . . . . 73.53 110.645 175.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.416 ' HA ' ' CD2' ' A' ' 60' ' ' TYR . . . -66.22 -36.85 84.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.136 0.493 . . . . 64.13 110.649 176.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -72.17 -26.86 62.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.785 -0.643 . . . . 73.5 110.435 177.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.6 tp -64.37 -34.08 77.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.83 -0.623 . . . . 70.04 110.306 178.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.416 ' CD2' ' HA ' ' A' ' 57' ' ' ALA . 22.8 m-85 -62.95 -33.23 74.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.139 -0.482 . . . . 65.31 110.333 177.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -69.4 -38.77 78.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 63.03 110.319 178.149 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 70.3 t -65.34 -38.67 83.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 121.354 0.597 . . . . 75.04 110.072 176.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 12.6 tmtt? -63.57 -36.34 83.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.429 -0.805 . . . . 74.13 110.114 178.681 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -75.16 -39.72 60.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.957 -0.565 . . . . 65.42 111.028 176.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.427 ' HB1' HG23 ' A' ' 70' ' ' VAL . . . -54.4 -35.66 63.11 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.817 0.673 . . . . 74.41 112.817 -173.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.884 ' HB2' HD11 ' A' ' 109' ' ' ILE . 12.6 t -61.46 -29.55 70.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.082 0.468 . . . . 64.11 110.885 -178.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 44.6 mt-30 -82.42 -23.27 34.95 Favored 'General case' 0 N--CA 1.448 -0.56 0 CA-C-N 116.093 -0.503 . . . . 63.21 110.605 -177.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 10.6 mp -87.13 -25.25 24.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.902 -0.59 . . . . 63.34 110.257 177.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 89.34 21.87 39.65 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.909 -0.662 . . . . 60.43 111.91 -179.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.458 ' HB ' ' H ' ' A' ' 6' ' ' GLU . 35.3 m -108.33 153.75 9.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 N-CA-C 110.184 -0.302 . . . . 73.42 110.184 -179.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.542 ' HD2' ' N ' ' A' ' 71' ' ' LYS . 8.7 mptt -117.05 176.24 5.22 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.479 0.657 . . . . 72.44 111.072 -175.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.766 HG22 ' HB2' ' A' ' 7' ' ' TYR . 39.1 pt -124.06 161.13 27.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.348 -0.842 . . . . 53.4 109.007 173.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.539 ' HB3' ' O ' ' A' ' 9' ' ' VAL . 1.1 tmm_? -76.39 102.59 6.01 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.472 -0.936 . . . . 75.43 108.472 177.482 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.834 HD13 ' HB2' ' A' ' 110' ' ' TYR . 6.0 tp -82.77 136.08 23.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-O 121.469 0.652 . . . . 72.33 112.271 -172.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.494 ' N ' HD13 ' A' ' 75' ' ' LEU . 0.0 OUTLIER -128.15 -168.54 1.92 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.525 -0.762 . . . . 71.24 110.003 174.824 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -96.68 87.69 4.42 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.833 -0.432 . . . . 73.22 109.833 178.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 37.0 t0 -84.31 174.71 9.92 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 115.436 -0.802 . . . . 70.22 110.806 -175.018 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . . . . . . . . . 21.9 t80 -78.83 140.09 38.24 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.214 -0.448 . . . . 71.42 110.003 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.86 -13.21 42.98 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.054 -0.521 . . . . 64.14 112.354 -176.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -51.04 -51.31 35.58 Favored Glycine 0 CA--C 1.52 0.402 0 O-C-N 123.346 0.404 . . . . 64.41 113.477 -177.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.1 tt -76.44 -22.42 15.33 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.308 0 CA-C-O 121.269 0.557 . . . . 73.32 110.717 179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -89.88 12.35 17.63 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.034 -0.53 . . . . 74.42 111.46 -176.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.452 ' HA ' ' OG1' ' A' ' 86' ' ' THR . 21.2 p90 -57.12 -22.82 42.73 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.082 -0.508 . . . . 75.43 111.846 -176.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 36.6 t-105 -71.01 -32.18 68.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.354 -0.385 . . . . 74.13 110.624 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -88.87 -28.61 20.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.017 0.437 . . . . 61.13 110.831 -178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.452 ' OG1' ' HA ' ' A' ' 83' ' ' PHE . 35.8 p -82.8 -38.26 23.37 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.159 0.504 . . . . 73.34 110.8 -179.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . 73.74 25.45 71.96 Favored Glycine 0 N--CA 1.444 -0.78 0 C-N-CA 121.024 -0.608 . . . . 72.14 111.658 -178.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -67.06 -23.96 65.93 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.916 0.388 . . . . 75.2 110.854 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 7.3 t90 -99.02 132.07 44.6 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 107.318 -1.364 . . . . 72.41 107.318 167.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -56.53 138.26 52.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.435 0.636 . . . . 64.22 112.509 -170.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -64.64 149.52 48.81 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.259 -0.882 . . . . 70.43 111.17 -177.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.715 ' HE3' ' HA ' ' A' ' 92' ' ' LYS . 0.9 OUTLIER -56.88 -51.24 69.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.842 -0.617 . . . . 65.11 109.88 179.657 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -164.11 -59.3 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.552 -0.749 . . . . 72.52 109.893 175.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -137.19 -44.26 0.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.121 -0.491 . . . . 72.51 111.31 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 68.0 t80 -52.77 -49.08 66.25 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.329 -0.396 . . . . 63.42 111.813 -173.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -36.46 84.38 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 120.925 0.393 . . . . 75.41 111.098 -179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . 0.57 ' OE1' ' HE3' ' A' ' 101' ' ' LYS . 5.6 mm-40 -70.11 -47.9 59.87 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.998 -0.547 . . . . 61.11 110.771 -179.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -60.38 -38.07 82.75 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.078 -0.51 . . . . 71.31 111.058 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -72.17 -30.43 64.97 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.277 -0.419 . . . . 75.0 111.273 178.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -72.88 -41.15 64.99 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.919 0.39 . . . . 43.31 110.496 175.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.57 ' HE3' ' OE1' ' A' ' 97' ' ' GLN . 35.0 mmtp -63.03 -48.24 79.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.047 -0.524 . . . . 65.24 110.248 177.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.642 ' O ' ' HG2' ' A' ' 105' ' ' GLN . 9.3 mp -92.66 41.41 1.07 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.759 -0.655 . . . . 60.13 111.032 -179.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . 0.536 ' HA ' ' CZ ' ' A' ' 106' ' ' TYR . 25.6 ptt? -52.07 -27.66 14.66 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 116.552 -0.295 . . . . 72.45 111.676 176.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -59.82 -28.54 67.56 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.378 -0.374 . . . . 73.42 111.999 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.642 ' HG2' ' O ' ' A' ' 102' ' ' LEU . 14.0 pt20 -58.6 -39.13 79.55 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.544 0.211 . . . . 52.02 111.524 -176.232 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . 0.536 ' CZ ' ' HA ' ' A' ' 103' ' ' MET . 6.3 p90 -97.74 7.11 46.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.015 0.436 . . . . 72.11 111.361 177.241 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 61.2 mmt-85 -80.2 116.22 20.18 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.128 -0.693 . . . . 72.23 109.128 169.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 162.13 -46.59 0.35 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.882 -0.675 . . . . 70.44 111.502 -176.111 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.884 HD11 ' HB2' ' A' ' 66' ' ' SER . 2.7 mp -71.34 -33.74 51.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 108.452 -0.944 . . . . 63.41 108.452 173.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.834 ' HB2' HD13 ' A' ' 74' ' ' ILE . 12.9 p90 -149.46 146.04 27.22 Favored 'General case' 0 N--CA 1.444 -0.738 0 CA-C-N 114.659 -1.155 . . . . 73.34 109.438 177.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 17.6 p -161.23 130.0 4.53 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.971 -0.751 . . . . 51.54 108.971 173.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 31.5 p90 -112.47 137.64 50.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.465 0.65 . . . . 70.22 111.992 -171.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -129.7 155.59 45.65 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 114.813 -1.085 . . . . 72.52 109.063 175.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 27.9 tptp -70.52 90.51 0.74 Allowed 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.301 0.572 . . . . 72.22 109.513 173.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 29.1 m -118.77 161.24 17.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 115.612 -0.722 . . . . 71.14 110.469 -179.478 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.675 ' H ' ' HD2' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -75.98 157.36 33.19 Favored 'General case' 0 C--O 1.24 0.583 0 CA-C-N 116.112 -0.495 . . . . 75.53 110.174 178.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -71.37 108.48 4.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.968 -0.56 . . . . 74.42 110.956 -177.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 -130.58 14.28 5.45 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.283 0.563 . . . . 75.01 110.195 178.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 25.2 p -106.13 22.92 14.89 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.512 -0.767 . . . . 43.43 110.463 178.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -77.59 57.95 3.79 Favored Glycine 0 N--CA 1.452 -0.278 0 CA-C-N 115.968 -0.56 . . . . 65.42 112.65 -177.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 14.9 m120 -71.8 167.13 20.6 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 122.743 0.417 . . . . 74.13 110.409 176.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.4 mt-10 -61.42 -19.44 61.95 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 115.868 -0.605 . . . . 65.01 112.053 -176.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -71.15 -28.25 64.13 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.516 -0.311 . . . . 73.22 111.761 -177.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . . . . . . . . . 49.5 m-80 -66.12 -29.13 69.38 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-O 120.635 0.255 . . . . 72.32 111.357 -175.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.78 -26.05 66.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.196 -0.456 . . . . 60.43 110.903 -178.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . . . . . . . . . 45.8 t80 -72.17 -48.7 41.34 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.041 -0.527 . . . . 73.23 110.785 -178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.519 HG22 ' HB1' ' A' ' 23' ' ' ALA . 10.9 p -76.78 -21.44 14.78 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 121.163 0.506 . . . . 52.14 110.092 -179.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -54.35 -40.45 68.1 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.439 -0.8 . . . . 52.41 110.902 176.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 52.6 ttp -56.74 -44.87 82.12 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.874 -0.603 . . . . 73.14 111.053 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 8.4 tmtt? -70.86 -34.99 72.19 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.213 -0.449 . . . . 72.33 110.405 -176.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -71.38 -47.36 56.71 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.078 -0.51 . . . . 74.33 111.378 -179.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . 0.627 ' HD3' HD12 ' A' ' 135' ' ' LEU . 25.8 mmtp -67.6 -29.39 68.72 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.391 -0.368 . . . . 74.43 111.425 -176.424 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 52.4 m -64.11 -33.88 76.78 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.88 0.371 . . . . 64.24 110.691 178.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.12 -15.36 59.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.127 0.489 . . . . 70.12 111.058 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.627 HD12 ' HD3' ' A' ' 132' ' ' LYS . 96.5 mt -89.01 -10.96 45.6 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.181 0.515 . . . . 73.53 110.129 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 101.08 21.15 12.18 Favored Glycine 0 N--CA 1.444 -0.775 0 C-N-CA 120.497 -0.858 . . . . 75.42 112.427 179.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . 0.49 HD13 ' HB2' ' A' ' 135' ' ' LEU . 1.9 mp -88.56 133.61 30.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 N-CA-C 109.482 -0.562 . . . . 62.44 109.482 176.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.437 ' HB2' ' O ' ' A' ' 137' ' ' ILE . 64.0 mtp180 70.88 53.96 0.26 Allowed 'General case' 0 N--CA 1.467 0.382 0 O-C-N 123.742 0.651 . . . . 60.42 111.122 -177.791 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -86.07 141.0 29.76 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 115.838 -0.619 . . . . 75.13 110.156 176.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 93.1 mt -91.94 -73.31 0.55 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.109 0.481 . . . . 55.41 110.73 -177.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -115.72 -20.88 9.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.962 -0.563 . . . . 65.35 111.088 -179.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 26.8 m170 -79.76 91.83 5.36 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.225 0.536 . . . . 62.33 110.749 -176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 2.6 t60 -152.02 -55.87 0.14 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.145 -0.934 . . . . 74.45 108.509 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 1.8 p-80 -158.8 130.18 6.38 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 108.605 -0.887 . . . . 74.33 108.605 170.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 39.6 t-80 -119.83 93.03 3.93 Favored 'General case' 0 C--N 1.32 -0.698 0 C-N-CA 120.469 -0.493 . . . . 74.42 110.352 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . 0.422 ' HB3' ' H ' ' A' ' 147' ' ' HIS . 1.5 m170 174.17 -158.15 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 107.874 -1.158 . . . . 73.32 107.874 -176.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . 0.422 ' H ' ' HB3' ' A' ' 146' ' ' HIS . 32.7 m170 . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.279 -0.867 . . . . 62.22 109.385 173.071 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 120.754 0.311 . . . . 73.13 110.612 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -149.63 -39.68 0.15 Allowed 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 109.312 -0.625 . . . . 72.34 109.312 -179.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 67.16 85.38 0.14 Allowed 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 114.828 -1.078 . . . . 55.31 111.918 177.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 -115.34 4.63 14.44 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.447 0.641 . . . . 63.25 109.991 177.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.9 p -125.38 96.22 4.74 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.717 -0.674 . . . . 73.45 111.322 -177.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.488 ' H ' HG11 ' A' ' 70' ' ' VAL . 39.0 tt0 68.51 124.17 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.431 0 O-C-N 123.908 0.755 . . . . 62.1 112.127 176.408 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.619 ' HB2' HG22 ' A' ' 72' ' ' ILE . 97.5 m-85 -94.11 129.5 40.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.953 -0.567 . . . . 75.22 109.989 178.516 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -94.1 126.43 39.32 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.123 0.487 . . . . 64.22 110.11 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.568 ' HB ' ' O ' ' A' ' 73' ' ' ARG . 45.5 t -130.38 134.8 61.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.738 0 CA-C-N 115.648 -0.706 . . . . 75.1 109.228 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.494 ' CZ ' ' HB3' ' A' ' 25' ' ' ALA . 53.9 p90 -122.28 152.94 39.55 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.018 0.437 . . . . 72.44 110.726 178.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.746 HG21 ' HB3' ' A' ' 75' ' ' LEU . 10.0 t -160.41 179.57 8.52 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.432 -0.804 . . . . 51.52 109.126 -176.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 23.9 t70 67.8 154.53 0.1 Allowed 'General case' 0 N--CA 1.469 0.48 0 O-C-N 123.907 0.754 . . . . 73.35 110.879 -174.444 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . 179.55 -74.22 0.07 OUTLIER Glycine 0 N--CA 1.442 -0.958 0 C-N-CA 120.184 -1.007 . . . . 72.21 112.627 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.5 t -129.49 118.0 21.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.264 0.554 . . . . 62.12 112.366 -172.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -122.61 106.59 11.11 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 107.321 -1.362 . . . . 71.55 107.321 167.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 11.8 p -141.56 139.85 31.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.628 0 CA-C-O 120.822 0.344 . . . . 74.53 111.265 -173.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASN . . . . . . . . . . . . . 16.2 m120 61.92 28.46 17.34 Favored 'General case' 0 N--CA 1.466 0.375 0 CA-C-N 115.696 -0.684 . . . . 72.14 111.866 174.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 76.88 7.92 86.49 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.616 -0.802 . . . . 34.15 112.562 -179.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 1.056 ' HB3' ' HG ' ' A' ' 135' ' ' LEU . 77.1 mm-40 -93.98 132.78 38.11 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.711 -0.477 . . . . 74.52 109.711 178.664 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 33.2 p90 -147.4 154.47 40.89 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.888 0.375 . . . . 75.11 110.376 178.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.419 ' HB1' ' O ' ' A' ' 38' ' ' ASP . . . -155.4 169.47 24.15 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.794 -0.639 . . . . 51.51 109.742 -179.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TRP . . . . . 0.713 ' CD1' ' HB3' ' A' ' 38' ' ' ASP . 0.0 OUTLIER -94.01 130.34 40.17 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.643 -1.243 . . . . 64.1 107.643 177.542 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -140.23 133.75 30.11 Favored 'General case' 0 C--N 1.316 -0.888 0 C-N-CA 120.203 -0.599 . . . . 42.21 110.588 177.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.407 ' HE1' HD22 ' A' ' 75' ' ' LEU . 93.1 m-85 -150.06 147.86 28.32 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.005 -0.543 . . . . 74.13 109.744 -179.641 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.494 ' HB3' ' CZ ' ' A' ' 10' ' ' TYR . . . -148.45 124.09 10.46 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.135 -0.484 . . . . 72.01 110.118 174.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -90.97 112.62 24.58 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.614 -0.721 . . . . 60.01 109.421 -178.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.4 p -105.03 124.83 59.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.57 0.7 . . . . 62.35 111.934 -172.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.543 ' HZ2' ' HB2' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -170.19 156.4 5.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 114.976 -1.011 . . . . 72.13 108.498 177.743 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 14.6 m-20 77.33 17.56 1.5 Allowed 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.56 0.744 . . . . 73.24 109.975 -176.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 79.87 2.91 89.05 Favored Glycine 0 N--CA 1.452 -0.298 0 CA-C-N 115.891 -0.595 . . . . 73.14 112.471 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.67 179.89 7.13 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.712 0.291 . . . . 33.11 110.655 -177.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.552 HG11 ' HB2' ' A' ' 35' ' ' GLU . 53.3 t -79.34 115.71 22.1 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 N-CA-C 109.779 -0.452 . . . . 61.11 109.779 178.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -79.58 -33.71 41.45 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.766 -0.457 . . . . 74.32 109.766 -177.599 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -156.77 144.47 19.2 Favored 'General case' 0 CA--C 1.52 -0.205 0 CA-C-N 115.963 -0.562 . . . . 73.51 110.814 174.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.552 ' HB2' HG11 ' A' ' 32' ' ' VAL . 17.3 tt0 -150.18 132.88 15.88 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.647 -0.706 . . . . 51.43 110.421 -175.553 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -165.83 163.91 18.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.803 -0.443 . . . . 71.42 109.803 174.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -154.75 125.34 6.96 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.867 -0.151 . . . . 61.15 111.403 -176.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.713 ' HB3' ' CD1' ' A' ' 22' ' ' TRP . 40.7 t0 -90.26 163.93 14.58 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 108.994 -0.743 . . . . 71.41 108.994 174.692 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.735 HG23 ' HG3' ' A' ' 41' ' ' LYS . 8.1 m -92.04 152.36 3.42 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 N-CA-C 110.251 -0.277 . . . . 70.32 110.251 177.142 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -72.5 75.93 0.82 Allowed Glycine 0 N--CA 1.453 -0.199 0 C-N-CA 121.064 -0.589 . . . . 73.45 113.334 -174.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.735 ' HG3' HG23 ' A' ' 39' ' ' VAL . 13.8 mtpp -124.25 -169.98 2.06 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.303 -0.999 . . . . 72.24 108.303 176.082 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -76.81 143.72 71.64 Favored Pre-proline 0 C--N 1.317 -0.812 0 C-N-CA 120.887 -0.325 . . . . 71.51 110.16 176.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.468 ' HG3' ' HB3' ' A' ' 83' ' ' PHE . 20.5 Cg_endo -61.35 -22.63 75.09 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 123.182 2.588 . . . . 74.31 113.1 -175.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.4 -18.44 58.85 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.445 -0.343 . . . . 63.12 111.029 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -100.09 -69.31 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.087 0.47 . . . . 70.1 111.498 -177.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -83.66 -44.06 14.92 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.847 -0.615 . . . . 71.34 111.95 -173.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.63 14.04 2.8 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.499 0.666 . . . . 74.23 111.634 -174.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 54.5 ttm -99.17 100.66 11.8 Favored 'General case' 0 N--CA 1.436 -1.16 0 N-CA-C 107.265 -1.383 . . . . 62.23 107.265 176.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.636 ' HG3' ' H ' ' A' ' 50' ' ' ASN . 8.6 tpp180 78.64 -170.07 0.05 Allowed 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 113.816 -1.538 . . . . 74.02 108.769 -174.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.636 ' H ' ' HG3' ' A' ' 49' ' ' ARG . 76.7 m-20 71.69 -85.3 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 122.818 0.447 . . . . 74.34 110.997 178.32 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.639 HG21 ' HB2' ' A' ' 38' ' ' ASP . 19.7 t -64.22 -35.92 75.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.46 . . . . 74.03 111.142 -174.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -58.42 -27.29 64.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.808 -0.633 . . . . 72.11 111.868 -176.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . -73.34 -43.79 36.83 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.673 -0.775 . . . . 62.12 112.27 179.196 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.31 -29.4 67.23 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.832 0.349 . . . . 62.13 111.449 -176.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.442 HG12 ' O ' ' A' ' 51' ' ' VAL . 47.0 mm -71.42 -29.52 35.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.46 -0.337 . . . . 75.23 111.033 179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -54.37 -36.47 63.9 Favored 'General case' 0 N--CA 1.465 0.299 0 N-CA-C 112.608 0.596 . . . . 43.45 112.608 -174.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -64.11 -36.73 84.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.928 0.394 . . . . 75.51 111.167 179.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.42 ' O ' HG23 ' A' ' 62' ' ' VAL . . . -74.84 -25.78 59.24 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.107 -0.497 . . . . 73.01 110.461 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.51 HD21 ' HE3' ' A' ' 63' ' ' LYS . 7.3 tt -63.26 -35.43 80.3 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.984 -0.553 . . . . 74.43 110.373 178.724 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -67.33 -37.44 83.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.251 -0.432 . . . . 74.21 110.336 176.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -64.19 -41.55 97.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.081 -0.508 . . . . 74.22 110.411 178.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.497 HG13 ' HB ' ' A' ' 109' ' ' ILE . 98.2 t -62.44 -39.29 83.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.218 0 CA-C-N 115.901 -0.59 . . . . 70.22 110.422 176.427 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.51 ' HE3' HD21 ' A' ' 59' ' ' LEU . 88.5 mttt -59.54 -46.45 88.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.061 -0.518 . . . . 74.53 111.112 177.356 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' O ' HD13 ' A' ' 68' ' ' LEU . 48.2 mtpt -68.55 -28.71 67.21 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.555 -0.293 . . . . 72.25 111.228 178.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.42 ' HB3' HG21 ' A' ' 109' ' ' ILE . . . -61.55 -28.72 69.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.454 -0.339 . . . . 75.22 111.14 179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.672 ' HA ' HD11 ' A' ' 109' ' ' ILE . 23.0 t -66.15 -39.64 89.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.008 0.432 . . . . 74.34 110.037 178.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 31.9 tt0 -70.51 -41.66 72.33 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.972 -0.558 . . . . 71.55 109.978 178.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.441 HD13 ' O ' ' A' ' 64' ' ' LYS . 8.1 mp -68.67 -23.27 64.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.416 -0.811 . . . . 64.34 110.913 179.223 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.92 34.75 29.7 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 121.032 -0.604 . . . . 41.4 112.554 176.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.488 HG11 ' H ' ' A' ' 6' ' ' GLU . 27.7 m -123.62 170.64 13.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-O 120.812 0.339 . . . . 60.43 110.862 -178.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 66.8 mmtt -115.58 163.35 15.9 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.565 -0.531 . . . . 75.32 109.565 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.619 HG22 ' HB2' ' A' ' 7' ' ' TYR . 2.6 pp -108.25 158.41 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 C-N-CA 120.752 -0.379 . . . . 65.35 110.347 174.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.568 ' O ' ' HB ' ' A' ' 9' ' ' VAL . 97.3 mtt180 -91.99 108.82 20.21 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.313 0.577 . . . . 72.13 111.121 -178.058 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.678 HD11 ' HD2' ' A' ' 78' ' ' TYR . 15.5 tt -115.8 143.04 26.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.321 -0.854 . . . . 73.22 110.636 -176.617 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.746 ' HB3' HG21 ' A' ' 11' ' ' THR . 2.7 pt? -58.28 173.68 0.35 Allowed 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 121.571 0.701 . . . . 55.15 112.356 -178.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 56.9 m-70 -95.82 151.06 19.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.612 -0.722 . . . . 73.33 110.037 -177.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 54.47 71.74 0.51 Allowed 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.784 0.678 . . . . 72.33 111.798 178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TYR . . . . . 0.678 ' HD2' HD11 ' A' ' 74' ' ' ILE . 0.6 OUTLIER -83.55 79.65 9.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.212 -0.449 . . . . 74.33 109.843 179.742 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.13 -15.28 61.98 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.035 0.445 . . . . 61.41 111.192 -179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.406 ' HA2' ' HD2' ' A' ' 83' ' ' PHE . . . -63.87 -22.42 66.46 Favored Glycine 0 N--CA 1.451 -0.341 0 CA-C-N 115.928 -0.578 . . . . 74.32 113.195 -177.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 78' ' ' TYR . 37.2 pt -66.39 -26.24 37.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.886 0.343 . . . . 72.12 111.061 -179.39 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.601 ' HB1' ' HA ' ' A' ' 90' ' ' LYS . . . -70.58 -33.96 71.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.078 0.466 . . . . 64.15 110.238 178.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.778 ' HA ' ' HA2' ' A' ' 87' ' ' GLY . 96.8 m-85 -76.95 -30.51 56.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.707 -0.678 . . . . 63.12 110.198 178.583 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 75.6 t-105 -71.5 -39.97 70.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.895 -0.593 . . . . 72.33 109.974 176.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.8 -55.37 30.78 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.704 -0.68 . . . . 73.11 110.899 177.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.447 HG23 ' H ' ' A' ' 87' ' ' GLY . 6.2 t -136.14 -57.35 0.76 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.541 -0.299 . . . . 63.43 111.064 179.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.778 ' HA2' ' HA ' ' A' ' 83' ' ' PHE . . . 118.77 -54.17 0.64 Allowed Glycine 0 C--N 1.332 0.315 0 C-N-CA 120.237 -0.982 . . . . 33.21 113.548 176.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -65.22 -52.4 54.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.776 0.288 . . . . 73.13 111.423 -175.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TRP . . . . . . . . . . . . . 32.3 p90 -115.97 162.02 17.98 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 110.013 -0.366 . . . . 72.13 110.013 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LYS . . . . . 0.601 ' HA ' ' HB1' ' A' ' 82' ' ' ALA . 87.1 mttt -96.42 123.95 40.25 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 116.129 -0.487 . . . . 52.54 111.353 -174.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ALA . . . . . . . . . . . . . . . -71.82 88.76 1.03 Allowed 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.754 -0.657 . . . . 53.11 110.395 177.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 4.6 ptmm? -107.35 -58.88 1.9 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.137 -0.483 . . . . 70.21 110.505 178.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -148.12 101.63 3.3 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.365 -0.605 . . . . 61.21 109.365 172.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.851 ' HB3' HG22 ' A' ' 96' ' ' THR . 28.3 tt0 -178.96 167.7 1.62 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.057 -0.72 . . . . 64.51 109.057 -172.251 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -54.43 -29.57 49.75 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 121.007 0.432 . . . . 73.41 111.169 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.851 HG22 ' HB3' ' A' ' 94' ' ' GLU . 7.2 t -54.09 -27.94 36.05 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.601 -0.727 . . . . 62.44 111.864 178.682 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLN . . . . . . . . . . . . . 31.7 mm-40 -60.23 -32.82 71.49 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 120.699 0.285 . . . . 61.54 111.388 177.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -69.67 -33.02 71.99 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.127 0.489 . . . . 63.32 110.479 179.12 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 82.0 t80 -79.32 -36.3 39.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.132 -0.485 . . . . 73.54 110.353 176.643 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ALA . . . . . . . . . . . . . . . -65.0 -20.59 66.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.147 -0.479 . . . . 54.23 111.123 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.645 ' HA ' ' HB3' ' A' ' 104' ' ' ASN . 22.5 ttmt -75.79 -2.57 30.51 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 50.3 110.808 179.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -62.59 -51.16 68.43 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 108.651 -0.87 . . . . 65.42 108.651 172.064 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' MET . . . . . . . . . . . . . 17.2 tpt -73.09 -30.13 63.44 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.305 0.574 . . . . 71.42 110.173 176.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.645 ' HB3' ' HA ' ' A' ' 101' ' ' LYS . 18.8 t-20 -63.92 -22.62 67.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.619 -0.719 . . . . 62.04 111.27 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.46 ' C ' HE21 ' A' ' 105' ' ' GLN . 0.0 OUTLIER -57.81 -34.53 69.75 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.802 -0.636 . . . . 75.41 110.376 174.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' TYR . . . . . . . . . . . . . 81.7 t80 -82.72 -20.8 35.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.097 0.475 . . . . 62.11 110.397 179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.494 ' HA ' ' CE1' ' A' ' 110' ' ' TYR . 4.1 tmt_? -60.68 137.96 58.13 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.868 -0.605 . . . . 64.43 110.352 178.64 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLY . . . . . . . . . . . . . . . 168.41 -52.63 0.22 Allowed Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.957 -0.639 . . . . 74.42 111.611 -177.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ILE . . . . . 0.672 HD11 ' HA ' ' A' ' 66' ' ' SER . 39.9 mm -81.92 -36.63 14.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.065 0.46 . . . . 41.12 110.108 176.321 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.494 ' CE1' ' HA ' ' A' ' 107' ' ' ARG . 28.8 p90 -97.84 143.49 28.4 Favored 'General case' 0 N--CA 1.446 -0.665 0 N-CA-C 109.041 -0.726 . . . . 71.11 109.041 171.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 15.5 p -173.68 130.06 0.42 Allowed 'General case' 0 C--N 1.319 -0.752 0 N-CA-C 108.974 -0.75 . . . . 70.22 108.974 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PHE . . . . . . . . . . . . . 36.9 p90 -101.74 137.55 39.9 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.265 0.555 . . . . 73.45 111.09 -173.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -131.66 149.96 52.31 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.099 -0.955 . . . . 71.04 108.983 177.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -86.94 79.07 8.87 Favored 'General case' 0 N--CA 1.443 -0.818 0 CA-C-O 121.628 0.728 . . . . 62.04 109.996 177.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 35.6 m -126.66 163.05 29.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 114.685 -1.143 . . . . 73.25 109.158 -179.84 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LYS . . . . . 0.686 ' O ' ' HD3' ' A' ' 116' ' ' LYS . 0.0 OUTLIER -70.44 130.04 40.87 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.459 -0.571 . . . . 71.54 109.459 175.724 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . 177.71 75.1 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.148 -0.478 . . . . 71.2 111.422 -179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -144.99 21.9 1.58 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.358 0.599 . . . . 72.32 109.953 171.361 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 14.1 m -104.82 35.2 2.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.559 -0.746 . . . . 64.32 110.35 -177.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLY . . . . . . . . . . . . . . . -78.06 -135.25 0.87 Allowed Glycine 0 CA--C 1.519 0.343 0 C-N-CA 121.094 -0.574 . . . . 31.51 113.692 -174.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -86.45 162.6 18.03 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 110.202 -0.296 . . . . 71.42 110.202 -175.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -74.99 5.0 5.64 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.925 0.393 . . . . 74.52 111.427 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 10' ' ' TYR . 40.4 m-85 -60.69 -23.5 64.91 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.972 -0.558 . . . . 73.02 110.62 172.117 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASN . . . . . 0.478 ' HA ' HG12 ' A' ' 127' ' ' VAL . 31.2 p-10 -61.14 -28.57 69.21 Favored 'General case' 0 CA--C 1.533 0.316 0 CA-C-O 120.971 0.415 . . . . 64.24 110.417 176.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . 0.488 ' O ' ' HB3' ' A' ' 128' ' ' ASP . 21.7 t70 -75.97 -33.29 59.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.566 0.698 . . . . 71.43 110.305 174.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' TYR . . . . . 0.417 ' HB3' ' O ' ' A' ' 123' ' ' PHE . 44.1 t80 -65.03 -41.92 94.82 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.201 -0.909 . . . . 71.41 110.443 177.34 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' VAL . . . . . 0.478 HG12 ' HA ' ' A' ' 124' ' ' ASN . 12.4 p -77.22 -20.26 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.393 0 CA-C-O 120.902 0.382 . . . . 73.14 110.578 177.429 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ASP . . . . . 0.488 ' HB3' ' O ' ' A' ' 125' ' ' ASP . 5.6 t70 -60.66 -43.75 97.25 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.053 0.454 . . . . 75.31 110.325 174.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' MET . . . . . . . . . . . . . 71.7 mtm -66.86 -32.94 74.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.816 -0.629 . . . . 73.55 110.422 178.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -60.68 -48.58 81.14 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.994 -0.548 . . . . 64.14 110.451 174.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ALA . . . . . . . . . . . . . . . -58.26 -39.94 80.52 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.998 -0.547 . . . . 73.14 111.119 -179.673 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LYS . . . . . . . . . . . . . 47.1 mmtm -55.41 -50.23 70.32 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.415 0.626 . . . . 74.24 110.561 177.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 5.9 t -74.73 -32.49 62.13 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.255 -0.884 . . . . 41.33 110.96 -174.144 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.7 -31.34 72.22 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.643 0.608 . . . . 70.03 112.643 -174.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 1.056 ' HG ' ' HB3' ' A' ' 19' ' ' GLN . 3.7 mm? -83.83 -8.31 59.25 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.061 -0.255 . . . . 73.35 111.072 -175.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . . . . . . . . . . . 116.36 4.8 17.52 Favored Glycine 0 N--CA 1.442 -0.909 0 C-N-CA 120.036 -1.078 . . . . 52.33 113.152 179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' ILE . . . . . . . . . . . . . 48.8 mt -89.58 90.12 3.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 109.418 -0.586 . . . . 74.52 109.418 176.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ARG . . . . . 0.451 ' HA ' ' HD2' ' A' ' 138' ' ' ARG . 8.2 tpt180 -96.36 138.88 33.31 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.823 -0.626 . . . . 65.51 110.758 -174.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 55.69 89.7 0.04 OUTLIER 'General case' 0 CA--C 1.518 -0.28 0 O-C-N 124.106 0.879 . . . . 63.41 111.947 -178.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' LEU . . . . . . . . . . . . . 86.9 mt -66.71 -27.21 67.44 Favored 'General case' 0 C--N 1.314 -0.945 0 CA-C-N 114.94 -1.027 . . . . 52.13 109.949 177.53 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -66.43 -26.13 67.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.405 -0.816 . . . . 64.52 111.714 -179.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -85.57 87.1 7.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.973 0.415 . . . . 74.44 109.968 -178.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' HIS . . . . . . . . . . . . . 26.4 m80 -164.06 159.66 20.79 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.416 -0.811 . . . . 64.42 109.379 -178.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -135.76 102.48 5.09 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 109.906 -0.405 . . . . 73.23 109.906 175.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' HIS . . . . . . . . . . . . . 4.0 p80 -77.79 120.32 22.53 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.217 0.532 . . . . 75.12 110.728 -177.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -68.48 -38.12 80.73 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.538 -0.912 . . . . 75.53 108.538 172.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' HIS . . . . . . . . . . . . . 5.2 m80 . . . . . 0 C--O 1.246 0.918 0 CA-C-N 114.828 -1.078 . . . . 71.43 109.265 173.151 . . . . . . . . 0 0 . 1 stop_ save_