data_2n94_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 2n94 _Structure_validation_residue.Date_analyzed 2016-10-08 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' ' ' VAL . . . . . 0.44 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 61.5 t . . . . . 0 N--CA 1.45 -0.437 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.7 mt -80.59 155.12 27.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.122 0.487 . . . . 0.0 111.026 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.515 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 52.1 t -56.16 124.36 17.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.31 176.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.11 -21.26 63.67 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.119 -0.562 . . . . 0.0 113.161 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.9 t -90.59 -63.65 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.845 0.323 . . . . 0.0 111.722 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.7 p -99.3 -30.59 12.15 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.403 -173.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.457 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 47.95 63.81 3.35 Favored Glycine 0 N--CA 1.463 0.435 0 N-CA-C 114.477 0.551 . . . . 0.0 114.477 175.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.418 HD12 ' HG2' ' A' ' 11' ' ' LYS . 1.9 pp -136.08 10.28 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HG3' ' H ' ' A' ' 12' ' ' GLU . 13.6 ptmm? -158.96 -66.72 0.08 Allowed 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.664 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.426 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 37.2 tt0 -177.31 175.26 1.5 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -175.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.44 ' CD1' ' HB ' ' A' ' 3' ' ' VAL . 15.7 p90 -107.55 165.49 11.38 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.792 0.33 . . . . 0.0 110.402 173.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -143.9 -19.0 0.58 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.244 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.551 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 31.6 m-85 -125.85 178.09 5.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.486 -178.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -160.4 104.13 1.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.7 t -53.69 130.96 55.96 Favored Pre-proline 0 CA--C 1.53 0.192 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.385 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.51 -19.06 67.07 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.142 2.562 . . . . 0.0 112.715 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.52 ' NH1' ' HA ' ' A' ' 39' ' ' CYS . 39.1 mtp180 -100.92 -56.11 2.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.226 0.536 . . . . 0.0 111.412 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.402 ' HB2' HG13 ' A' ' 22' ' ' VAL . 57.0 m -80.44 -18.46 48.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.277 -171.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 mt 60.38 13.04 3.78 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.752 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.402 HG13 ' HB2' ' A' ' 20' ' ' CYS . 12.6 p -75.36 121.92 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.551 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.515 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 25.0 mt-30 -82.4 92.93 7.1 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.814 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.551 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 21.7 p -85.78 157.0 20.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.026 -176.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 31.4 p -83.97 -24.35 30.67 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.481 -178.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.4 m -159.01 169.46 24.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.978 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.96 -28.85 69.28 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.411 0.444 . . . . 0.0 110.454 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.451 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . 36.1 tt0 -59.86 -38.29 81.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.316 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.5 m -80.63 -26.14 37.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.742 0.305 . . . . 0.0 110.584 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 53.3 m -68.18 -42.16 80.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.965 0.412 . . . . 0.0 110.308 175.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 28' ' ' GLU . 21.5 pttp -81.31 -7.06 59.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.857 0.36 . . . . 0.0 110.726 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -76.14 -42.57 46.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -74.12 -19.7 60.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.028 0.442 . . . . 0.0 111.13 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 30' ' ' SER . 91.6 mttt -69.83 -32.04 70.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.475 -172.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.9 t -82.99 -5.67 59.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.57 -172.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -126.81 -30.07 2.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.307 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -102.95 -0.98 30.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.625 -176.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 61.24 70.27 0.62 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.981 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.52 ' HA ' ' NH1' ' A' ' 19' ' ' ARG . 49.3 t . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.551 -176.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.409 ' O ' ' HD1' ' A' ' 13' ' ' PHE . 97.1 t . . . . . 0 N--CA 1.45 -0.46 0 CA-C-O 120.73 0.3 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.455 ' HA ' ' HA ' ' A' ' 12' ' ' GLU . 42.8 mt -80.36 155.18 27.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.117 0.484 . . . . 0.0 111.071 178.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 53.9 t -56.2 126.14 24.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.831 178.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.88 -16.84 66.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.142 -178.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.2 t -93.11 -59.03 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.6 p -107.33 -20.03 13.4 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.671 -174.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 44.75 59.97 4.06 Favored Glycine 0 N--CA 1.465 0.604 0 N-CA-C 114.992 0.757 . . . . 0.0 114.992 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -142.02 -7.23 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.729 ' HE2' ' SG ' ' A' ' 25' ' ' CYS . 54.1 pttt -152.72 44.83 0.68 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.529 -0.469 . . . . 0.0 112.228 -176.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.455 ' HA ' ' HA ' ' A' ' 4' ' ' LEU . 2.6 mp0 60.66 -172.13 0.14 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.038 0.447 . . . . 0.0 111.217 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.409 ' HD1' ' O ' ' A' ' 3' ' ' VAL . 16.9 p90 -116.0 164.18 14.82 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.27 176.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -141.71 -19.56 0.75 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.651 175.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.534 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 12.4 m-85 -122.6 179.39 4.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.181 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -164.57 95.48 0.73 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 175.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.9 t -47.4 126.96 9.93 Favored Pre-proline 0 N--CA 1.464 0.237 0 O-C-N 123.622 0.576 . . . . 0.0 111.185 -176.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.73 -18.41 60.27 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.89 2.393 . . . . 0.0 112.478 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -99.27 -54.08 3.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.175 0.512 . . . . 0.0 110.916 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.1 m -82.44 -21.77 35.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.851 -171.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.1 mt 62.32 15.9 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.977 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -79.69 122.24 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.475 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.525 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 48.0 mt-30 -77.99 93.01 4.38 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.071 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.534 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 13.1 p -86.09 153.65 21.94 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.871 -178.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.729 ' SG ' ' HE2' ' A' ' 11' ' ' LYS . 27.9 p -76.01 -32.11 59.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.094 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.513 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 49.8 m -160.14 174.91 13.57 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.143 -176.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.57 -29.29 70.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.758 0.313 . . . . 0.0 110.447 -176.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -59.64 -30.94 69.07 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.838 0.351 . . . . 0.0 111.008 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.427 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 4.6 m -88.57 -27.49 21.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.741 0.305 . . . . 0.0 110.777 176.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 57.8 m -64.66 -36.05 83.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.955 0.407 . . . . 0.0 109.978 175.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -84.57 -10.48 57.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.862 0.363 . . . . 0.0 110.747 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 23.0 tptp -69.97 -41.13 74.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.451 -177.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -77.61 -15.27 59.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.299 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 30' ' ' SER . 96.3 mttt -72.11 -19.86 61.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.342 -171.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.7 t -98.46 5.22 48.21 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.247 -176.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -135.84 -27.19 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.692 0.282 . . . . 0.0 111.577 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -104.73 -3.51 23.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.677 0.275 . . . . 0.0 110.806 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.1 t30 57.47 84.83 0.09 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.514 -176.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.321 -0.645 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.968 -172.562 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.407 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 78.5 t . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 120.675 0.274 . . . . 0.0 110.65 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.0 mt -73.1 140.73 47.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.212 173.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 49.8 t -45.35 120.41 2.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.35 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.62 -21.56 62.92 Favored Glycine 0 N--CA 1.453 -0.204 0 CA-C-N 116.046 -0.525 . . . . 0.0 113.156 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 81.6 t -87.76 -67.22 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -178.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.514 ' SG ' HG13 ' A' ' 10' ' ' ILE . 25.0 p -91.2 -30.42 16.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.287 0.565 . . . . 0.0 111.365 -172.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 66.7 34.68 88.16 Favored Glycine 0 C--N 1.332 0.315 0 CA-C-N 115.213 -0.903 . . . . 0.0 114.572 172.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.514 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.4 pp -117.65 -10.33 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 117.968 0.884 . . . . 0.0 112.63 -178.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HG2' HD13 ' A' ' 10' ' ' ILE . 19.3 ptpt -155.41 171.51 19.77 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 177.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -65.43 161.49 19.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.473 0.654 . . . . 0.0 111.048 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.546 ' CG ' ' HB3' ' A' ' 23' ' ' GLN . 25.5 p90 -85.12 166.37 16.68 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.887 -176.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -139.57 -15.11 1.07 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.942 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.457 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 38.8 m-85 -127.65 172.62 10.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.466 -178.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -156.27 99.34 1.92 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.0 t -50.6 131.46 27.23 Favored Pre-proline 0 N--CA 1.464 0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.997 -175.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -62.48 -21.17 72.45 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.417 2.745 . . . . 0.0 112.915 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -102.47 -52.5 3.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.132 0.491 . . . . 0.0 111.095 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.0 m -83.0 -21.76 33.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.656 -172.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.1 mt 64.28 5.84 2.73 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.173 -174.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -69.67 128.66 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 CA-C-O 121.762 0.791 . . . . 0.0 109.841 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.546 ' HB3' ' CG ' ' A' ' 13' ' ' PHE . 41.4 mt-30 -85.69 105.84 16.53 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 114.484 -1.234 . . . . 0.0 109.706 -178.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.457 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 3.4 p -101.79 148.5 25.21 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.05 -175.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 21.0 p -77.59 -24.54 49.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.958 -174.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.9 m -159.28 168.15 27.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.16 -178.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.412 HD11 ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -61.62 -30.94 71.02 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.366 0.416 . . . . 0.0 110.13 -176.706 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.46 -47.22 73.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.676 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.3 m -75.53 -26.93 58.47 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.562 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.448 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 11.8 m -65.5 -26.29 67.85 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.953 0.406 . . . . 0.0 110.481 178.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -109.56 -2.06 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.124 0.488 . . . . 0.0 110.87 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.416 ' O ' HG23 ' A' ' 35' ' ' THR . 27.9 tptp -66.71 -42.1 86.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.28 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -74.51 -12.71 60.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.168 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.448 ' HE3' ' O ' ' A' ' 30' ' ' SER . 98.6 mttt -74.71 -23.85 58.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.807 0.336 . . . . 0.0 110.935 -174.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 32' ' ' LYS . 10.8 t -94.91 -2.39 50.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.05 -176.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -121.59 -44.78 2.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.413 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -100.32 -0.48 38.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.833 -176.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 60.57 91.86 0.05 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.469 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.2 t . . . . . 0 C--N 1.317 -0.841 0 CA-C-O 121.124 0.488 . . . . 0.0 110.928 -175.747 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 N--CA 1.449 -0.519 0 CA-C-O 120.753 0.311 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.1 mt -79.43 153.64 29.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.922 175.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.503 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 41.8 t -49.84 129.8 20.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.38 178.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.13 -17.01 73.5 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.912 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.0 t -93.46 -70.86 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 122.836 -0.214 . . . . 0.0 111.456 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.551 ' SG ' HG13 ' A' ' 10' ' ' ILE . 25.5 p -88.04 -35.31 17.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.323 0.582 . . . . 0.0 110.904 -174.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.41 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 69.58 24.58 76.15 Favored Glycine 0 C--O 1.226 -0.376 0 CA-C-N 115.216 -0.902 . . . . 0.0 114.736 172.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.551 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.3 pp -102.16 -16.14 7.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 117.82 0.81 . . . . 0.0 111.819 -176.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.531 ' N ' HD11 ' A' ' 10' ' ' ILE . 6.4 ptpp? -146.98 177.67 8.96 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 175.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -61.98 167.42 3.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.579 0.704 . . . . 0.0 111.783 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.403 ' CG ' ' HB3' ' A' ' 23' ' ' GLN . 18.1 p90 -93.2 164.66 13.16 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.372 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -145.64 -23.31 0.47 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.831 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.547 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 17.8 m-85 -116.63 179.69 3.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.96 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -166.76 94.9 0.51 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.0 t -46.22 124.44 7.06 Favored Pre-proline 0 C--O 1.226 -0.153 0 O-C-N 123.766 0.666 . . . . 0.0 111.125 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -67.14 -10.15 27.58 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.556 2.171 . . . . 0.0 111.856 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.428 ' HE ' ' HB3' ' A' ' 19' ' ' ARG . 16.3 mtp180 -102.36 -47.68 4.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.406 177.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.3 m -92.19 -25.31 18.73 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -174.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.7 mt 70.58 6.34 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.127 -173.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.6 p -68.93 125.61 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-O 121.603 0.716 . . . . 0.0 110.149 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.403 ' HB3' ' CG ' ' A' ' 13' ' ' PHE . 45.5 mt-30 -79.21 96.27 5.86 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.954 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.544 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 8.2 p -91.84 154.4 18.92 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.062 -177.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.503 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 31.5 p -80.26 -31.45 38.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.449 -178.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.547 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 59.8 m -160.08 177.45 10.7 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 -176.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.67 -31.59 72.5 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.19 0.306 . . . . 0.0 111.409 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -53.59 -43.34 68.5 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.332 0.587 . . . . 0.0 111.803 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 19.4 m -83.7 -23.6 31.6 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.622 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.576 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 8.5 t -68.69 -29.72 68.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.59 177.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 17.5 ptpt -96.15 -13.61 23.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.625 178.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.539 ' O ' HG23 ' A' ' 35' ' ' THR . 51.2 tptt -63.03 -45.11 93.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.102 -174.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -74.7 -14.33 60.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.978 0.418 . . . . 0.0 110.733 -177.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.576 ' HE3' ' O ' ' A' ' 30' ' ' SER . 94.5 mttt -74.93 -32.83 61.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.073 0.463 . . . . 0.0 110.486 -177.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 32' ' ' LYS . 7.1 t -84.58 2.32 41.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.181 -175.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -126.39 -38.67 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.492 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -109.41 0.78 19.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -177.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.1 t30 58.38 87.51 0.07 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.982 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.1 t . . . . . 0 C--N 1.319 -0.721 0 CA-C-O 121.2 0.524 . . . . 0.0 111.04 -175.996 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.656 ' CG1' ' HB3' ' A' ' 13' ' ' PHE . 1.4 p . . . . . 0 N--CA 1.443 -0.776 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.9 mt -116.76 129.23 55.98 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 162.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 41.5 t -36.01 120.44 0.62 Allowed 'General case' 0 C--O 1.222 -0.381 0 O-C-N 124.659 1.224 . . . . 0.0 112.538 -178.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.15 -23.41 52.46 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 113.948 -174.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.5 t -86.64 -62.69 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -178.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.455 ' SG ' HG13 ' A' ' 10' ' ' ILE . 21.6 p -97.77 -23.74 15.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.955 -173.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 50.5 66.95 2.11 Favored Glycine 0 C--O 1.235 0.192 0 CA-C-N 116.17 -0.468 . . . . 0.0 114.146 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.584 HD12 ' N ' ' A' ' 11' ' ' LYS . 1.9 pp -138.59 -24.47 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 177.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.584 ' N ' HD12 ' A' ' 10' ' ' ILE . 5.4 ptpp? -143.46 177.57 8.37 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.815 0.341 . . . . 0.0 111.138 177.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.463 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 31.7 tt0 -63.77 146.1 54.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.919 -177.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.656 ' HB3' ' CG1' ' A' ' 3' ' ' VAL . 17.9 p90 -70.98 155.4 40.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.929 -178.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -131.9 -19.04 2.63 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.729 178.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.508 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 26.3 m-85 -130.28 178.0 6.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.987 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -163.86 101.84 0.89 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.7 t -47.86 122.51 9.22 Favored Pre-proline 0 C--O 1.224 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -62.39 -14.84 41.37 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.784 2.322 . . . . 0.0 112.739 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -102.27 -47.59 4.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.687 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.5 m -82.3 -28.71 31.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.277 0.561 . . . . 0.0 111.144 -177.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.7 mt 66.67 13.89 9.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.527 -173.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.9 p -75.38 121.6 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-O 121.63 0.729 . . . . 0.0 109.616 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.498 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 36.1 mt-30 -78.46 100.56 6.9 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.05 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.508 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 7.2 p -93.85 160.64 14.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.018 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.486 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 22.1 p -92.21 -20.44 21.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -177.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.4 p -155.16 176.06 13.04 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.962 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.93 -26.76 66.13 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 173.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -59.72 -48.38 81.91 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.279 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.3 m -74.61 -22.11 59.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.085 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.405 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 48.5 m -73.49 -33.76 64.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.816 0.341 . . . . 0.0 110.683 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -92.61 -10.49 37.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.149 0.499 . . . . 0.0 110.304 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 51.9 tptt -60.96 -43.42 98.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.467 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -79.25 -13.61 59.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.778 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HE3' ' O ' ' A' ' 30' ' ' SER . 94.1 mttt -78.07 -39.65 41.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.117 0.484 . . . . 0.0 110.081 -178.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.1 t -75.78 -9.46 58.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.471 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.523 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 13.2 ptm180 -114.66 -39.29 3.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.689 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.15 9.28 21.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.613 0.244 . . . . 0.0 111.522 -173.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 57.41 38.26 28.24 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.513 174.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.0 t . . . . . 0 C--N 1.321 -0.631 0 CA-C-O 120.919 0.39 . . . . 0.0 110.412 178.56 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.619 ' CG1' ' HB3' ' A' ' 13' ' ' PHE . 1.4 p . . . . . 0 N--CA 1.442 -0.833 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.6 mt -118.25 134.98 54.56 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.199 160.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 42.3 t -39.37 120.44 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 124.521 1.138 . . . . 0.0 111.804 -177.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.4 -19.31 40.03 Favored Glycine 0 CA--C 1.517 0.197 0 CA-C-N 115.686 -0.688 . . . . 0.0 113.908 -174.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.422 HG12 ' HD3' ' A' ' 32' ' ' LYS . 69.2 t -92.31 -63.05 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.678 ' SG ' HG13 ' A' ' 10' ' ' ILE . 25.9 p -96.29 -34.03 11.75 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.441 0.638 . . . . 0.0 111.635 -173.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.6 33.54 81.37 Favored Glycine 0 C--O 1.227 -0.334 0 CA-C-N 115.025 -0.989 . . . . 0.0 114.738 174.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.678 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.2 pp -105.23 -15.06 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 117.811 0.805 . . . . 0.0 112.184 -179.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.484 ' N ' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -154.8 178.92 9.6 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.01 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.549 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 20.0 mp0 -62.63 171.63 1.95 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.714 0.768 . . . . 0.0 111.774 -177.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.619 ' HB3' ' CG1' ' A' ' 3' ' ' VAL . 11.9 p90 -90.34 154.87 19.37 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.894 177.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -133.87 -22.65 1.84 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.152 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.592 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 17.8 m-85 -118.15 175.9 5.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.879 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -164.1 99.38 0.85 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.3 t -51.25 130.36 32.39 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.155 -178.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -65.39 -18.46 60.21 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.937 2.425 . . . . 0.0 112.484 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -104.24 -54.49 2.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.311 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.403 ' HB2' HG11 ' A' ' 22' ' ' VAL . 67.6 m -75.33 -26.02 58.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.976 0.417 . . . . 0.0 111.232 -176.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.9 mt 67.63 4.89 4.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.777 -172.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.403 HG11 ' HB2' ' A' ' 20' ' ' CYS . 12.4 p -66.11 121.45 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-O 121.913 0.863 . . . . 0.0 110.083 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.562 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 39.3 mt-30 -79.42 95.43 5.76 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.753 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 8.6 p -90.41 155.43 18.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.026 -177.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 32.0 p -82.18 -31.82 30.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.255 -178.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.592 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 48.8 m -159.74 173.84 15.41 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.18 -177.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.8 -27.98 69.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.68 0.276 . . . . 0.0 111.011 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -53.89 -35.9 62.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.743 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.5 m -90.62 -28.05 18.66 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.379 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.523 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 47.5 m -64.66 -42.78 95.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.889 0.376 . . . . 0.0 110.02 176.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 64.2 pttt -77.1 -17.38 58.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.66 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.483 ' O ' HG23 ' A' ' 35' ' ' THR . 47.7 tttp -65.74 -40.89 92.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 -176.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -78.49 -17.13 56.7 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.545 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 30' ' ' SER . 66.5 mttm -78.11 -32.8 50.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.988 -178.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 32' ' ' LYS . 6.1 t -71.4 -15.33 62.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.873 0.368 . . . . 0.0 111.481 -176.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -116.8 -26.4 6.96 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -112.26 -7.66 14.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.176 0.512 . . . . 0.0 111.199 -175.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 59.41 29.62 19.21 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.329 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 28.0 t . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.44 -176.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.451 ' O ' ' HD1' ' A' ' 13' ' ' PHE . 57.6 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' GLU . 3.0 mm? -79.98 179.09 7.78 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.729 0.776 . . . . 0.0 110.9 176.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 45.5 t -64.73 132.79 50.59 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.53 175.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . 0.409 ' HA3' ' CG2' ' A' ' 22' ' ' VAL . . . -68.82 -16.13 69.87 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.951 179.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.0 t -96.36 -64.06 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 O-C-N 122.524 -0.398 . . . . 0.0 111.534 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.44 ' SG ' HG13 ' A' ' 10' ' ' ILE . 32.0 p -91.49 -7.12 51.35 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 120.122 -0.631 . . . . 0.0 111.775 -175.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . 62.49 29.82 74.59 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 114.652 0.621 . . . . 0.0 114.652 172.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.459 HD11 ' HG2' ' A' ' 11' ' ' LYS . 2.7 pp -148.39 170.09 2.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 117.644 0.722 . . . . 0.0 111.444 -176.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HG2' HD11 ' A' ' 10' ' ' ILE . 11.2 ptmm? 52.55 27.07 4.73 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.447 1.499 . . . . 0.0 113.991 174.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 4' ' ' LEU . 34.7 mt-10 65.66 171.48 0.22 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.517 0.675 . . . . 0.0 111.488 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.451 ' HD1' ' O ' ' A' ' 3' ' ' VAL . 23.5 p90 -104.45 164.55 11.66 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.378 178.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -141.17 -28.31 0.68 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.209 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.59 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 11.1 m-85 -113.93 179.67 3.89 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.336 -178.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -163.37 104.32 0.96 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.336 175.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.6 t -51.68 121.86 19.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.612 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.8 -17.86 57.47 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.72 2.28 . . . . 0.0 112.515 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -96.59 -46.65 6.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.556 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.401 ' HB2' HG12 ' A' ' 22' ' ' VAL . 85.5 m -89.43 -23.51 22.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.115 0.483 . . . . 0.0 111.521 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.9 mt 64.6 17.09 10.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.412 -173.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.409 ' CG2' ' HA3' ' A' ' 6' ' ' GLY . 12.9 p -80.16 121.46 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.451 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -83.08 97.35 8.73 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.366 -177.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 3.5 p -90.45 159.36 16.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.138 -175.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 28.9 p -82.18 -31.34 30.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.942 0.401 . . . . 0.0 110.497 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.59 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 49.1 m -160.25 168.26 25.75 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.025 -177.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.6 mt -57.33 -29.28 63.84 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.861 0.362 . . . . 0.0 110.817 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.407 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 15.3 tp10 -51.56 -40.89 60.59 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.775 176.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.2 m -90.04 -24.18 21.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.859 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.459 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 8.9 m -65.82 -36.51 83.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.985 0.422 . . . . 0.0 110.146 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.407 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 65.1 pttt -87.97 -7.89 56.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.409 ' O ' HG21 ' A' ' 35' ' ' THR . 24.1 tptm -64.27 -45.23 88.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.756 -177.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -77.11 -15.05 59.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.85 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.459 ' HE3' ' O ' ' A' ' 30' ' ' SER . 94.4 mttt -76.23 -32.9 59.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.83 0.348 . . . . 0.0 110.8 -174.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.409 HG21 ' O ' ' A' ' 32' ' ' LYS . 11.5 t -76.5 -14.73 60.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.819 -175.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -122.15 -5.11 8.94 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -175.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -131.48 1.38 4.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.93 0.395 . . . . 0.0 111.311 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 61.0 28.94 18.7 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.009 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.2 t . . . . . 0 C--N 1.324 -0.517 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 177.465 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.628 ' CG1' ' HB3' ' A' ' 13' ' ' PHE . 1.6 p . . . . . 0 N--CA 1.439 -1.0 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.2 mt -117.56 135.3 54.05 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 162.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.512 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 51.0 t -38.89 125.36 1.48 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.555 -1.202 . . . . 0.0 112.747 -174.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.92 -20.03 64.01 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.706 -0.679 . . . . 0.0 113.541 -176.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.3 t -93.41 -65.02 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.709 ' SG ' HG13 ' A' ' 10' ' ' ILE . 31.3 p -88.49 -12.02 44.15 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.456 -174.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.14 15.19 81.25 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 121.116 -0.564 . . . . 0.0 114.13 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.709 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.7 pp -132.24 154.53 40.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 117.76 0.78 . . . . 0.0 110.665 -177.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 10.9 ptmm? 56.0 168.31 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.881 1.272 . . . . 0.0 112.867 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -71.45 154.38 41.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.103 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.628 ' HB3' ' CG1' ' A' ' 3' ' ' VAL . 18.1 p90 -75.04 155.34 37.35 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.36 177.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -131.62 -25.03 2.17 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.791 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.506 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 21.2 m-85 -121.15 -178.45 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.132 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -164.57 96.8 0.76 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.9 t -49.74 126.52 18.42 Favored Pre-proline 0 C--N 1.333 -0.13 0 O-C-N 123.416 0.448 . . . . 0.0 111.46 -177.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -63.3 -16.85 57.08 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 123.03 2.487 . . . . 0.0 112.759 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -103.58 -47.2 4.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.485 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.449 ' HB2' HG12 ' A' ' 22' ' ' VAL . 81.7 m -85.63 -24.62 27.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.955 0.407 . . . . 0.0 111.72 -174.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.9 mt 64.02 12.87 7.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.454 -172.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.449 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.6 p -74.51 120.87 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.46 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.522 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 38.4 mt-30 -79.89 97.49 6.72 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.427 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.506 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 11.7 p -90.42 153.47 20.38 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.026 -176.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 20.5 p -84.4 -18.28 36.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.458 -177.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.2 p -162.68 178.4 8.54 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.801 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.495 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 87.9 mt -68.98 -22.73 64.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.153 0.502 . . . . 0.0 109.842 173.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.458 ' OE2' ' HE3' ' A' ' 31' ' ' LYS . 7.7 tp10 -60.79 -42.76 98.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.805 178.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.5 m -84.33 -25.37 29.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.981 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.495 ' OG ' ' HA ' ' A' ' 27' ' ' LEU . 65.9 p -71.35 -34.02 70.11 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.37 178.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.521 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 16.6 pttp -84.93 -14.76 46.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.066 0.46 . . . . 0.0 110.376 177.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -66.27 -34.05 77.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.452 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -83.91 -15.67 47.12 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.841 176.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 39' ' ' CYS . 59.8 mttm -77.9 -26.55 49.19 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.035 0.445 . . . . 0.0 110.661 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.7 t -89.27 6.97 37.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.956 -176.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -136.83 -35.12 0.72 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.714 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -107.02 -5.1 18.33 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.205 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 51.48 82.34 0.06 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.273 0.558 . . . . 0.0 110.641 -176.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.54 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 26.6 t . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.299 -174.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.6 t . . . . . 0 N--CA 1.449 -0.492 0 CA-C-O 120.65 0.262 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.82 145.26 48.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.629 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.537 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 53.3 t -45.13 123.68 4.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.603 177.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.82 -24.42 62.44 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.768 -0.651 . . . . 0.0 113.4 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.2 t -87.97 -67.1 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.819 0.309 . . . . 0.0 111.772 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.622 ' SG ' HG13 ' A' ' 10' ' ' ILE . 21.9 p -92.38 -29.98 16.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.221 0.534 . . . . 0.0 111.786 -171.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.42 32.75 85.2 Favored Glycine 0 C--N 1.331 0.274 0 CA-C-N 115.213 -0.903 . . . . 0.0 114.946 173.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.622 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.4 pp -108.74 -14.94 9.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 117.945 0.872 . . . . 0.0 111.853 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.487 ' N ' HD12 ' A' ' 10' ' ' ILE . 21.9 ptmt -150.35 173.98 13.38 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.98 163.7 3.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.725 0.774 . . . . 0.0 111.581 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.461 ' CG ' ' HB3' ' A' ' 23' ' ' GLN . 21.1 p90 -88.39 155.29 19.77 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.2 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -134.7 -17.7 1.94 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.963 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.522 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 24.5 m-85 -125.66 -179.15 4.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.16 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -168.09 99.57 0.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.4 t -50.62 127.69 25.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 123.56 0.538 . . . . 0.0 111.854 -177.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -60.72 -19.73 62.34 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.243 2.629 . . . . 0.0 112.873 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -99.66 -47.47 5.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.012 0.434 . . . . 0.0 111.369 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.5 m -89.83 -22.55 22.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.884 -171.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.8 mt 62.81 13.33 6.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.183 -176.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.1 p -78.4 120.95 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.461 ' HB3' ' CG ' ' A' ' 13' ' ' PHE . 25.4 mt-30 -79.94 100.55 8.14 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.113 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.522 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 11.4 p -92.22 160.55 15.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.915 -176.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 23.9 p -89.89 -20.22 23.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 -178.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.9 p -158.11 175.51 13.7 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.718 -177.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.92 -25.65 67.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.062 172.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.76 -48.72 80.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.116 0.484 . . . . 0.0 110.427 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.3 m -75.79 -20.78 57.96 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.99 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.2 m -74.39 -37.96 63.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.452 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -84.45 -13.67 51.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.94 0.4 . . . . 0.0 110.198 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.405 ' O ' HG22 ' A' ' 35' ' ' THR . 27.2 tptp -60.74 -48.67 80.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.905 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -74.2 -11.58 60.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.198 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -76.92 -27.01 54.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.748 0.309 . . . . 0.0 111.074 -173.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 32' ' ' LYS . 12.7 t -85.82 1.13 50.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.043 0.449 . . . . 0.0 111.034 -177.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -128.58 -30.55 2.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.498 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -99.76 -8.09 24.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.112 0.482 . . . . 0.0 110.48 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 61.85 27.51 16.77 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.893 0.854 . . . . 0.0 110.496 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.1 t . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 114.312 -1.313 . . . . 0.0 109.165 176.466 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.655 ' CG1' ' HB3' ' A' ' 13' ' ' PHE . 1.5 p . . . . . 0 N--CA 1.445 -0.678 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.0 mt -118.74 129.61 55.35 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.406 161.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.503 ' HB3' ' H ' ' A' ' 9' ' ' GLY . 50.3 t -35.67 122.26 0.65 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 114.352 -1.294 . . . . 0.0 112.035 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.85 -15.45 55.12 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 121.293 -0.479 . . . . 0.0 113.275 -176.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -92.58 -62.04 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 122.797 -0.237 . . . . 0.0 111.473 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.7 p -103.83 -34.04 8.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.046 -174.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.503 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 51.17 70.14 0.94 Allowed Glycine 0 N--CA 1.46 0.275 0 CA-C-N 116.052 -0.522 . . . . 0.0 114.165 176.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.433 HD13 ' HG2' ' A' ' 11' ' ' LYS . 1.9 pp -142.36 14.7 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.488 ' HG3' ' H ' ' A' ' 12' ' ' GLU . 19.6 ptmt -162.51 -68.89 0.05 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.491 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 31.0 tt0 178.13 168.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -176.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.655 ' HB3' ' CG1' ' A' ' 3' ' ' VAL . 6.0 p90 -95.89 152.65 18.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.074 0.464 . . . . 0.0 110.587 174.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -132.28 -18.94 2.52 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.463 174.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.459 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 27.0 m-85 -124.89 172.57 9.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.643 -178.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -154.84 107.3 2.75 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 174.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.9 t -49.7 130.02 20.24 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.347 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.52 -12.23 31.12 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.82 2.346 . . . . 0.0 112.047 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.475 ' HD3' ' SG ' ' A' ' 39' ' ' CYS . 67.0 mtp180 -102.92 -49.84 3.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.008 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.2 m -91.53 -20.69 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.624 -174.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.2 mt 63.22 17.13 9.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.983 -175.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.8 p -80.56 120.89 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-O 121.671 0.748 . . . . 0.0 110.131 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.491 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 44.0 mt-30 -68.48 109.08 3.54 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.878 177.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 p -108.51 151.34 26.21 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.406 -176.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.0 p -79.76 -31.98 40.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.005 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.459 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 75.1 m -157.47 168.64 26.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.57 -177.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.3 mt -57.11 -32.83 66.71 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.398 0.436 . . . . 0.0 111.474 -177.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -53.3 -45.39 68.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.92 0.391 . . . . 0.0 110.552 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 32.8 m -78.88 -28.18 44.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.789 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.541 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 13.9 m -67.41 -22.82 65.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.982 0.42 . . . . 0.0 110.378 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -111.62 8.88 21.03 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.051 0.453 . . . . 0.0 110.662 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 27.1 tptp -80.91 -41.31 23.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.263 0.554 . . . . 0.0 110.164 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -73.75 -14.95 61.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.344 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HE3' ' O ' ' A' ' 30' ' ' SER . 98.6 mttt -67.88 -20.99 65.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 111.23 -171.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 32' ' ' LYS . 11.7 t -81.13 -21.0 40.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.348 -177.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.442 ' HG3' ' OD1' ' A' ' 37' ' ' ASP . 21.7 ptt180 -118.6 -18.19 9.11 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.745 0.307 . . . . 0.0 111.726 -175.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.442 ' OD1' ' HG3' ' A' ' 36' ' ' ARG . 1.2 m-20 -105.38 -3.25 22.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.062 0.458 . . . . 0.0 110.061 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 56.26 47.56 19.0 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.062 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.475 ' SG ' ' HD3' ' A' ' 19' ' ' ARG . 45.6 t . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 114.865 -1.062 . . . . 0.0 110.512 -173.354 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.484 ' O ' ' HD1' ' A' ' 13' ' ' PHE . 60.7 t . . . . . 0 N--CA 1.448 -0.553 0 CA-C-O 121.068 0.461 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.1 mt -78.8 148.81 32.78 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.022 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.457 ' HB3' ' H ' ' A' ' 9' ' ' GLY . 46.8 t -43.27 123.88 3.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.179 177.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.8 -22.11 56.62 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 121.091 -0.576 . . . . 0.0 113.504 -177.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.4 t -92.09 -65.09 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 122.559 -0.377 . . . . 0.0 111.809 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.5 p -97.48 -26.36 14.86 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.054 -174.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.457 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 46.6 59.45 5.38 Favored Glycine 0 N--CA 1.459 0.218 0 N-CA-C 114.607 0.603 . . . . 0.0 114.607 176.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.459 HD11 ' N ' ' A' ' 11' ' ' LYS . 2.0 pp -140.67 -11.54 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.459 ' N ' HD11 ' A' ' 10' ' ' ILE . 5.9 ptpp? -142.05 41.0 1.66 Allowed 'General case' 0 N--CA 1.466 0.363 0 O-C-N 122.049 -0.407 . . . . 0.0 111.618 -178.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.513 ' HG2' ' H ' ' A' ' 13' ' ' PHE . 37.6 tt0 63.75 178.71 0.16 Allowed 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CD2' ' HB3' ' A' ' 23' ' ' GLN . 21.2 p90 -107.64 162.1 14.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.85 0.357 . . . . 0.0 110.384 174.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -139.39 -30.15 0.73 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.281 178.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.612 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 6.4 m-85 -108.69 -175.75 2.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.38 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -165.64 100.26 0.69 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.0 t -52.99 126.44 43.13 Favored Pre-proline 0 N--CA 1.463 0.196 0 CA-C-O 120.724 0.297 . . . . 0.0 111.284 -177.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.78 -27.03 50.45 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.406 2.737 . . . . 0.0 112.953 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -100.82 -53.85 2.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.804 0.335 . . . . 0.0 111.68 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.401 ' HB2' HG11 ' A' ' 22' ' ' VAL . 63.7 m -76.28 -24.94 54.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.608 -173.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mt 65.42 4.94 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.986 -174.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.401 HG11 ' HB2' ' A' ' 20' ' ' CYS . 12.0 p -69.85 128.92 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 177.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.556 ' HB3' ' CD2' ' A' ' 13' ' ' PHE . 22.8 mt-30 -89.54 98.61 11.87 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.389 -175.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.511 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 20.2 p -89.39 162.8 15.59 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.837 -177.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.8 p -89.11 -26.17 21.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.845 0.355 . . . . 0.0 110.456 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.612 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 66.7 m -161.07 173.75 14.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.265 -177.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.95 -30.83 71.18 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.237 0.335 . . . . 0.0 111.18 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.431 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 1.4 tm-20 -54.09 -41.19 67.98 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.178 0.513 . . . . 0.0 110.192 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.547 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 33.4 m -84.68 -23.3 29.47 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.338 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.6 m -69.84 -34.44 73.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.881 0.372 . . . . 0.0 110.401 177.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.431 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 63.1 pttt -90.85 -2.55 57.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.222 0.534 . . . . 0.0 110.302 178.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.547 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 4.0 tptm -74.17 -41.75 60.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.452 -178.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -77.6 -15.2 59.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.786 -177.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -72.17 -19.64 61.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.029 0.442 . . . . 0.0 110.74 -173.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 32' ' ' LYS . 13.6 t -100.15 2.31 42.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.124 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -134.2 -27.57 1.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -109.49 -3.07 17.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.549 0.214 . . . . 0.0 110.925 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 61.81 95.13 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.755 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.7 t . . . . . 0 C--N 1.318 -0.769 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.056 -174.121 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 71.6 mt -75.25 145.38 41.97 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.372 176.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.491 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 41.9 t -46.68 123.71 5.32 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.225 176.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.81 -22.23 64.11 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 121.219 -0.515 . . . . 0.0 113.429 -176.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 79.1 t -88.74 -66.6 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 122.719 -0.283 . . . . 0.0 111.587 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.545 ' SG ' HG13 ' A' ' 10' ' ' ILE . 19.8 p -91.29 -33.82 15.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.493 -174.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.96 54.12 37.51 Favored Glycine 0 C--O 1.235 0.191 0 C-N-CA 121.411 -0.423 . . . . 0.0 113.79 177.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.545 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.3 pp -127.74 -1.49 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.825 0.345 . . . . 0.0 111.514 176.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -165.18 172.77 12.1 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.339 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -61.39 147.75 43.88 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 123.607 0.567 . . . . 0.0 110.712 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -78.04 159.23 28.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.505 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -137.07 -14.66 1.55 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.282 0.563 . . . . 0.0 110.582 177.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.497 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 38.5 m-85 -124.67 175.76 7.0 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.571 -177.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 tttt -159.84 99.95 1.41 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 t -52.82 129.05 46.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 111.652 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.23 -23.93 72.45 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.109 2.539 . . . . 0.0 112.552 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -95.44 -56.23 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.281 0.562 . . . . 0.0 111.195 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.4 m -81.63 -22.91 37.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.605 -171.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 mt 62.3 15.93 8.05 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.836 -173.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.3 p -77.23 127.28 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.95 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.481 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 22.5 mt-30 -87.14 96.34 10.28 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.887 -177.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.497 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 15.0 p -88.93 159.38 17.68 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.873 -177.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.491 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 24.6 p -87.61 -25.34 23.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.315 -178.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.454 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 68.0 m -159.71 168.09 26.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.315 -177.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.47 -35.83 70.67 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.422 0.452 . . . . 0.0 111.222 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -56.68 -30.72 63.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.508 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.426 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 33.4 m -89.1 -26.22 21.47 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 120.786 0.327 . . . . 0.0 110.873 177.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.5 m -69.03 -33.96 74.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.063 0.458 . . . . 0.0 110.328 176.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -85.29 -13.94 48.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.634 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 17.4 tptp -66.94 -37.74 84.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.497 -176.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -83.25 -13.02 56.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.181 -177.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -72.74 -25.48 61.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.934 0.397 . . . . 0.0 110.978 -173.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.0 t -82.4 -0.42 45.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.183 -177.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -130.11 -15.61 3.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.685 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -110.8 -8.25 14.55 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.368 -177.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 62.58 27.31 16.15 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 122.604 1.192 . . . . 0.0 108.857 -173.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.2 t . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.076 -176.642 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.545 ' O ' ' HD1' ' A' ' 13' ' ' PHE . 50.4 t . . . . . 0 CA--C 1.508 -0.642 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.617 ' N ' HD21 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -96.12 169.52 9.9 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.749 -0.78 . . . . 0.0 110.625 -175.196 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.485 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 34.5 t -48.94 128.75 16.43 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.794 -1.093 . . . . 0.0 111.405 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.42 -16.95 68.0 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.15 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.0 t -93.08 -59.3 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.651 ' SG ' HG13 ' A' ' 10' ' ' ILE . 20.4 p -107.24 -10.67 15.77 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 120.406 -0.517 . . . . 0.0 112.279 -174.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.433 ' O ' HD12 ' A' ' 4' ' ' LEU . . . 56.74 35.75 69.06 Favored Glycine 0 N--CA 1.464 0.521 0 CA-C-N 115.806 -0.633 . . . . 0.0 114.647 176.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.651 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.8 pp -138.25 162.13 30.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 117.141 0.471 . . . . 0.0 110.55 175.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 18.5 ptmt 59.44 20.29 8.66 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.956 1.303 . . . . 0.0 112.793 173.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.507 ' HA ' HD22 ' A' ' 4' ' ' LEU . 38.1 mt-10 65.12 152.53 0.05 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 122.093 0.949 . . . . 0.0 112.564 178.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.545 ' HD1' ' O ' ' A' ' 3' ' ' VAL . 8.4 p90 -77.77 154.41 31.98 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.428 175.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HB2' ' HZ3' ' A' ' 14' ' ' LYS . 3.8 ttmp? -137.21 -27.6 0.96 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.339 0.59 . . . . 0.0 110.122 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.45 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 11.9 m-85 -114.05 -176.05 2.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.396 -177.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 35.5 ttpt -166.53 104.68 0.61 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.318 176.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 t -50.41 126.54 22.26 Favored Pre-proline 0 N--CA 1.462 0.17 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.667 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.0 -13.54 38.07 Favored 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 122.759 2.306 . . . . 0.0 112.62 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -106.37 -55.62 2.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.204 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.402 ' HB2' HG13 ' A' ' 22' ' ' VAL . 80.8 m -73.48 -25.07 60.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.865 0.364 . . . . 0.0 111.397 -176.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mt 64.74 13.9 8.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.482 -173.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 14.6 p -74.74 121.68 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.019 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.509 ' HB3' ' CG ' ' A' ' 13' ' ' PHE . 23.5 mt-30 -77.58 96.12 4.71 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.172 178.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.45 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 1.6 p -90.0 155.54 19.02 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.025 -177.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.485 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 30.2 p -82.18 -28.23 32.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.144 0.497 . . . . 0.0 110.508 -178.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.9 p -148.67 174.82 11.76 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.434 -176.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -69.39 -24.64 63.89 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 174.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -62.75 -50.83 69.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.534 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.2 m -69.23 -24.09 63.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.755 0.312 . . . . 0.0 110.688 177.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.484 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 37.5 m -70.71 -24.24 62.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.802 179.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -105.07 -7.44 19.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.966 0.412 . . . . 0.0 110.801 178.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -67.91 -42.43 81.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.513 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -72.42 -17.88 61.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.484 ' HE3' ' O ' ' A' ' 30' ' ' SER . 96.7 mttt -72.2 -33.46 67.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.99 0.424 . . . . 0.0 110.604 -176.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 t -89.91 2.55 54.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.42 -172.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -130.14 -35.6 1.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.521 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -104.61 -6.24 20.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.897 0.379 . . . . 0.0 110.68 -175.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.7 t30 63.04 88.46 0.1 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.78 -177.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.144 -179.165 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.689 ' CG1' ' HB3' ' A' ' 13' ' ' PHE . 1.1 p . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.2 mt -116.52 132.62 56.63 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 119.4 -0.92 . . . . 0.0 110.676 165.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 53.4 t -44.87 124.62 4.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.231 -1.349 . . . . 0.0 111.837 -178.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.59 -27.42 66.1 Favored Glycine 0 N--CA 1.452 -0.234 0 CA-C-N 115.797 -0.638 . . . . 0.0 113.345 -177.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 84.4 t -84.92 -65.43 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 111.792 0.294 . . . . 0.0 111.792 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.4 p -95.81 -31.85 12.97 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.223 -174.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.43 70.93 0.76 Allowed Glycine 0 N--CA 1.46 0.243 0 CA-C-N 116.32 -0.4 . . . . 0.0 113.979 177.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.555 HD11 ' N ' ' A' ' 11' ' ' LYS . 1.7 pp -138.25 -27.56 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 178.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.555 ' N ' HD11 ' A' ' 10' ' ' ILE . 22.2 ptmt -125.4 -64.83 1.05 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -175.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.55 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 38.1 tt0 176.7 167.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 -170.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.689 ' HB3' ' CG1' ' A' ' 3' ' ' VAL . 7.0 p90 -94.92 157.99 15.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.044 0.45 . . . . 0.0 110.95 174.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -140.32 -19.57 0.87 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.489 176.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.487 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 19.9 m-85 -126.85 -178.96 4.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.843 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 36.7 ttpt -166.42 97.63 0.59 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 178.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.7 t -45.21 125.18 5.63 Favored Pre-proline 0 N--CA 1.463 0.206 0 O-C-N 123.766 0.666 . . . . 0.0 111.835 -176.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -63.57 -13.54 37.13 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.959 2.439 . . . . 0.0 112.625 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -98.45 -59.37 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.247 0.546 . . . . 0.0 110.698 175.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.8 m -82.02 -20.7 37.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.914 -170.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mt 63.07 16.73 9.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.762 -176.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 10.0 p -78.05 125.43 37.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-O 121.432 0.634 . . . . 0.0 109.675 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.513 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 48.3 mt-30 -79.51 94.96 5.7 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.011 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.487 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 12.3 p -90.5 156.13 18.4 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.852 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.8 p -86.54 -24.54 25.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.713 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.425 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 55.2 m -159.28 169.9 23.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.474 -177.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.2 mt -58.53 -32.79 69.18 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.339 0.399 . . . . 0.0 110.464 177.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -48.31 -49.86 32.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.774 174.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.494 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 24.6 m -79.49 -25.03 41.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.277 -178.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.409 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 61.0 m -67.52 -38.75 84.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.053 0.454 . . . . 0.0 110.414 178.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.461 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 63.8 pttt -87.01 -7.56 58.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.668 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.494 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 14.3 tptt -66.16 -45.76 79.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.653 -177.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -74.88 -15.07 60.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.04 0.448 . . . . 0.0 110.668 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.461 ' HD2' ' HA ' ' A' ' 31' ' ' LYS . 91.0 mttt -76.87 -27.04 54.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.934 0.397 . . . . 0.0 110.594 -178.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.45 HG21 ' O ' ' A' ' 32' ' ' LYS . 6.0 t -94.29 -1.62 53.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.257 -175.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 11.9 ptp180 -128.62 -30.11 2.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.834 -177.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -115.77 -3.42 12.24 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.241 -0.287 . . . . 0.0 111.209 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.5 t30 61.93 104.48 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.998 0.811 . . . . 0.0 111.399 -177.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.8 t . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.321 -178.385 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.609 ' CG1' ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER . . . . . 0 N--CA 1.441 -0.877 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.3 mt -119.93 129.07 54.16 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 119.734 -0.786 . . . . 0.0 109.752 163.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 53.6 t -35.64 118.7 0.5 Allowed 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 114.26 -1.336 . . . . 0.0 112.319 -177.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.8 -21.56 51.68 Favored Glycine 0 CA--C 1.518 0.249 0 CA-C-N 115.938 -0.574 . . . . 0.0 113.42 -176.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.9 t -88.94 -63.02 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -177.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.506 ' SG ' HG13 ' A' ' 10' ' ' ILE . 27.0 p -96.67 -22.01 17.26 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.463 0.649 . . . . 0.0 111.643 -173.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 59.46 39.11 94.47 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 114.915 -1.038 . . . . 0.0 115.062 173.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.506 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.5 pp -123.53 -14.64 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 118.095 0.947 . . . . 0.0 112.974 -178.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.493 ' N ' HD13 ' A' ' 10' ' ' ILE . 21.2 ptmt -147.99 175.4 11.02 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.316 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -64.23 155.87 30.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.677 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.609 ' HB3' ' CG1' ' A' ' 3' ' ' VAL . 17.8 p90 -79.69 156.89 27.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.092 178.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -137.98 -13.33 1.43 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.166 175.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.506 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 36.8 m-85 -131.86 179.34 6.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.985 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 38.5 ttpt -167.11 100.05 0.53 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.3 t -51.41 124.41 24.2 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.68 -13.72 41.21 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.905 2.403 . . . . 0.0 112.21 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -95.85 -57.19 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.278 0.561 . . . . 0.0 111.074 177.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.3 m -86.27 -13.14 47.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.448 -171.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.9 mt 56.99 22.22 7.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.145 -176.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 9.3 p -85.03 118.59 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-O 121.612 0.72 . . . . 0.0 110.05 -179.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.512 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 45.4 mt-30 -73.65 99.03 2.99 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.48 177.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.506 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 7.4 p -94.21 152.9 18.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.949 -177.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 25.7 p -79.08 -29.27 43.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.697 -177.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.421 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 63.1 m -159.49 174.13 15.14 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.368 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.7 mt -60.63 -33.35 72.65 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 122.977 0.173 . . . . 0.0 111.095 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -50.27 -45.2 54.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.115 0.483 . . . . 0.0 110.983 177.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.0 m -81.45 -28.49 34.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.103 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.525 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 21.8 t -68.07 -22.7 64.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.548 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -108.76 0.42 20.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.937 0.399 . . . . 0.0 110.842 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.468 ' O ' HG23 ' A' ' 35' ' ' THR . 44.9 tttp -77.12 -36.52 55.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.097 0.475 . . . . 0.0 110.492 -177.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -75.64 -18.78 59.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.618 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.525 ' HE3' ' O ' ' A' ' 30' ' ' SER . 98.0 mttt -68.11 -25.31 65.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.915 -174.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 32' ' ' LYS . 5.0 t -86.72 -2.56 58.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.514 -174.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -129.58 -29.29 2.19 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.624 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -100.96 -10.42 20.6 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.761 -178.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 62.65 84.17 0.15 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -174.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.266 -174.05 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.414 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 71.9 t . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.1 mt -77.74 152.12 33.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.64 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.526 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 39.7 t -48.58 133.65 16.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.38 177.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.25 -21.74 79.16 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.779 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.1 t -90.62 -72.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.405 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.463 ' SG ' HG13 ' A' ' 10' ' ' ILE . 22.5 p -83.41 -36.11 24.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.469 0.652 . . . . 0.0 110.984 -174.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.457 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 70.02 28.93 71.1 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.029 -0.987 . . . . 0.0 114.61 172.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.463 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.4 pp -113.68 -10.95 12.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 117.76 0.78 . . . . 0.0 112.101 -177.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.457 ' N ' HD13 ' A' ' 10' ' ' ILE . 22.8 ptmt -145.68 169.15 19.04 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.212 178.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -63.71 149.96 45.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 123.714 0.634 . . . . 0.0 110.737 -177.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CD1' ' HB ' ' A' ' 3' ' ' VAL . 13.0 p90 -77.92 164.52 25.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.015 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -146.69 -19.04 0.42 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.634 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.5 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 22.8 m-85 -125.58 170.99 10.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.449 -178.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -154.83 102.64 2.37 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.5 t -49.2 130.18 16.58 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.612 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -62.32 -18.13 61.03 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.948 2.432 . . . . 0.0 112.586 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -99.92 -43.48 6.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.418 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.531 ' C ' ' H ' ' A' ' 22' ' ' VAL . 44.7 m -101.53 -13.69 17.79 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -168.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.469 ' N ' HD21 ' A' ' 21' ' ' LEU . 1.1 mm? 55.54 6.5 0.18 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.368 0.604 . . . . 0.0 112.605 -178.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.531 ' H ' ' C ' ' A' ' 20' ' ' CYS . 9.0 p -65.05 118.17 6.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.832 175.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 19.4 mt-30 -75.98 91.84 3.09 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.547 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.5 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 5.4 p -86.31 151.92 23.18 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.905 -176.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.526 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 28.3 p -81.66 -28.22 33.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.65 -176.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.44 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 58.6 m -159.67 168.07 26.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.785 -178.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.09 -29.54 65.54 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.963 0.411 . . . . 0.0 111.192 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -53.43 -41.22 65.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.987 175.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 18.6 m -85.57 -24.54 27.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.917 178.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.454 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 9.3 m -66.27 -28.19 68.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.4 178.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -97.92 -11.37 23.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.406 ' O ' HG21 ' A' ' 35' ' ' THR . 55.2 tptt -61.78 -41.75 98.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.133 0.492 . . . . 0.0 110.663 -176.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -78.7 -8.47 58.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.235 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.454 ' HE3' ' O ' ' A' ' 30' ' ' SER . 98.3 mttt -79.95 -34.2 38.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.977 0.418 . . . . 0.0 110.609 -174.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.406 HG21 ' O ' ' A' ' 32' ' ' LYS . 13.3 t -74.42 -20.83 59.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.843 -178.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -103.28 -35.26 8.5 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -115.02 10.34 16.21 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.766 -174.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 55.56 41.61 30.51 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.235 175.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.995 179.022 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.447 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 99.1 t . . . . . 0 N--CA 1.447 -0.588 0 CA-C-O 120.659 0.266 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.9 mt -74.91 149.03 39.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.179 174.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.502 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 49.3 t -47.53 129.27 13.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.796 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.29 -19.76 74.51 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.891 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 82.3 t -91.33 -69.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 122.679 -0.306 . . . . 0.0 111.575 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.514 ' SG ' HG13 ' A' ' 10' ' ' ILE . 26.6 p -88.29 -31.27 19.06 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.401 0.62 . . . . 0.0 111.396 -173.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.8 34.46 88.78 Favored Glycine 0 C--N 1.332 0.334 0 CA-C-N 115.055 -0.975 . . . . 0.0 114.645 172.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.514 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.5 pp -117.75 -3.41 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 117.715 0.757 . . . . 0.0 112.688 -178.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -161.2 172.91 15.89 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.666 178.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -63.48 151.2 41.92 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.673 0.608 . . . . 0.0 111.112 -175.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.447 ' CD1' ' HB ' ' A' ' 3' ' ' VAL . 13.1 p90 -79.28 160.62 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.771 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -140.72 -27.17 0.73 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.939 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.55 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 3.2 m-85 -111.31 174.72 5.73 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.269 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -160.81 102.87 1.32 Allowed 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.0 t -50.49 125.56 20.88 Favored Pre-proline 0 C--N 1.331 -0.225 0 O-C-N 123.391 0.432 . . . . 0.0 110.855 -177.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -63.57 -13.5 36.89 Favored 'Trans proline' 0 C--N 1.34 0.11 0 C-N-CA 122.802 2.335 . . . . 0.0 112.229 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -108.09 -44.87 4.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.791 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.5 m -90.13 -22.53 21.71 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.411 -176.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 mt 65.44 9.95 6.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.247 -175.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.6 p -73.67 121.1 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-O 121.671 0.748 . . . . 0.0 109.748 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -77.66 103.52 7.65 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.881 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.543 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 2.8 p -97.93 151.95 19.73 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.848 -175.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 32.0 p -74.39 -31.73 62.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.816 -177.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.55 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 73.9 m -160.93 170.98 19.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.991 -175.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.5 tp -60.48 -30.65 69.83 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.431 0.457 . . . . 0.0 110.736 -174.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.403 ' HG3' ' H ' ' A' ' 29' ' ' CYS . 3.0 pt-20 -52.94 -45.88 67.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.952 176.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.403 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 11.9 m -79.22 -27.4 42.49 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.222 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.486 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 5.1 m -66.32 -30.42 70.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.357 177.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -98.52 -7.73 27.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.703 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.563 ' O ' HG21 ' A' ' 35' ' ' THR . 52.1 tttm -73.75 -42.51 61.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.087 -175.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -69.69 -9.96 56.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.156 0.503 . . . . 0.0 110.661 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HE3' ' O ' ' A' ' 30' ' ' SER . 94.7 mttt -76.93 -17.46 58.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.957 -176.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.563 HG21 ' O ' ' A' ' 32' ' ' LYS . 7.2 t -86.73 -14.05 43.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.042 0.449 . . . . 0.0 110.84 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -108.67 -37.58 5.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -99.14 -13.42 19.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 0.0 111.296 -177.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 t30 66.69 15.88 10.24 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.703 0.764 . . . . 0.0 110.063 -177.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.4 t . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.328 -179.857 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.465 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 84.4 t . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.6 mt -76.49 148.61 37.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.311 0.577 . . . . 0.0 110.732 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 41.9 t -52.27 127.58 22.49 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.885 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.9 -21.53 69.59 Favored Glycine 0 CA--C 1.517 0.211 0 CA-C-N 115.971 -0.558 . . . . 0.0 113.262 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.0 t -89.14 -64.21 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.626 ' SG ' HG13 ' A' ' 10' ' ' ILE . 26.8 p -95.47 -34.68 11.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.358 0.599 . . . . 0.0 111.121 -174.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.5 23.77 77.33 Favored Glycine 0 C--O 1.228 -0.27 0 CA-C-N 115.194 -0.912 . . . . 0.0 114.396 174.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.626 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.4 pp -106.44 -12.52 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 117.626 0.713 . . . . 0.0 112.275 -176.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.709 ' HE3' ' SG ' ' A' ' 25' ' ' CYS . 14.8 pttp -151.08 170.09 20.23 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 177.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -56.38 158.17 4.47 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.889 0.743 . . . . 0.0 111.989 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.465 ' CD1' ' HB ' ' A' ' 3' ' ' VAL . 14.0 p90 -85.45 163.26 18.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.037 178.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -146.6 -22.4 0.42 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.006 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.525 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 10.8 m-85 -121.55 166.29 14.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.237 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -149.44 104.38 3.37 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.0 t -53.84 125.83 48.43 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.996 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.88 -17.48 51.1 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.097 2.531 . . . . 0.0 112.891 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -101.77 -47.02 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.929 0.395 . . . . 0.0 111.505 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.5 m -91.16 -18.04 25.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.009 0.433 . . . . 0.0 111.701 -172.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt 59.7 16.97 5.89 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.292 -177.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 p -79.29 121.87 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 CA-C-O 121.567 0.699 . . . . 0.0 110.005 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 49.9 mt-30 -74.97 95.51 3.01 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.657 177.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.525 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 2.5 p -93.14 148.26 22.17 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.747 -176.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.709 ' SG ' ' HE3' ' A' ' 11' ' ' LYS . 31.0 p -75.86 -29.96 58.74 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.627 -176.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.447 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 67.4 m -159.37 169.78 23.23 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.689 -176.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -30.69 70.23 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -178.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -52.22 -41.13 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.389 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 11.4 m -84.26 -24.96 29.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.74 0.305 . . . . 0.0 110.99 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.459 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 12.2 m -66.81 -36.36 82.19 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 176.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -6.41 57.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.863 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.477 ' O ' HG23 ' A' ' 35' ' ' THR . 23.1 tptm -69.5 -45.07 69.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.61 -178.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -75.31 -13.51 60.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.373 . . . . 0.0 111.233 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.459 ' HE3' ' O ' ' A' ' 30' ' ' SER . 96.9 mttt -75.58 -25.77 57.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.707 0.289 . . . . 0.0 110.981 -173.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 32' ' ' LYS . 14.1 t -83.87 -1.63 54.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.337 -177.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -132.43 -2.3 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.643 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -128.51 -8.49 5.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.824 0.345 . . . . 0.0 110.791 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 67.26 14.16 9.63 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.972 -177.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.134 178.533 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.596 ' CG1' ' HB3' ' A' ' 13' ' ' PHE . 1.3 p . . . . . 0 N--CA 1.444 -0.742 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.425 ' N ' HG11 ' A' ' 3' ' ' VAL . 59.1 mt -123.27 134.13 54.12 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.159 161.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.474 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 42.2 t -41.8 125.62 2.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.076 -1.42 . . . . 0.0 112.444 -177.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.87 -19.07 65.07 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.428 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.0 t -91.75 -63.68 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.528 ' SG ' HG13 ' A' ' 10' ' ' ILE . 27.8 p -94.29 -22.78 18.15 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.315 0.579 . . . . 0.0 111.449 -173.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.04 34.77 89.2 Favored Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.029 -0.987 . . . . 0.0 114.824 173.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.528 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.6 pp -122.69 -10.38 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 118.302 1.051 . . . . 0.0 113.442 -177.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -154.21 175.81 13.03 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.572 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -60.94 155.56 19.6 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.689 0.757 . . . . 0.0 112.403 -178.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.596 ' HB3' ' CG1' ' A' ' 3' ' ' VAL . 7.9 p90 -83.98 155.39 22.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.819 176.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -139.01 -12.07 1.25 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.515 176.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.406 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 44.2 m-85 -132.37 172.38 12.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.318 -179.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -155.42 102.48 2.26 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.9 t -48.71 127.24 13.7 Favored Pre-proline 0 C--O 1.225 -0.226 0 O-C-N 123.35 0.406 . . . . 0.0 111.258 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.96 -16.04 53.44 Favored 'Trans proline' 0 CA--C 1.526 0.122 0 C-N-CA 122.616 2.211 . . . . 0.0 112.237 178.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -102.08 -47.6 4.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.482 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.4 m -89.6 -20.65 23.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.199 0.523 . . . . 0.0 111.47 -175.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt 61.19 18.87 9.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.447 -172.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.8 p -80.03 123.51 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-O 121.623 0.725 . . . . 0.0 110.241 -177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.464 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 45.2 mt-30 -73.92 102.28 4.05 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.568 -1.196 . . . . 0.0 109.687 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 1.5 p -100.49 148.64 24.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.732 -176.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.474 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 28.5 p -76.16 -31.26 58.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.959 -175.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -161.09 170.57 20.18 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.011 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.4 mt -56.89 -30.46 63.93 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.365 0.415 . . . . 0.0 111.244 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.452 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 10.8 tp10 -51.21 -43.77 61.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.851 176.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.0 m -86.29 -25.51 25.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.154 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.575 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 13.5 m -64.94 -33.64 76.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.898 0.38 . . . . 0.0 110.017 178.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 65.3 pttt -96.37 -10.93 26.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.183 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -62.31 -45.17 94.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.841 -176.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -77.19 -12.57 59.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.057 -177.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.575 ' HE3' ' O ' ' A' ' 30' ' ' SER . 96.1 mttt -74.77 -35.42 62.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.894 0.378 . . . . 0.0 110.525 -174.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.6 t -78.36 -11.57 59.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.548 -176.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -114.74 -22.12 9.85 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -176.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -121.95 7.82 9.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.645 0.26 . . . . 0.0 111.567 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 58.62 43.43 19.04 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.241 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.9 t . . . . . 0 C--N 1.322 -0.619 0 CA-C-O 121.318 0.58 . . . . 0.0 110.941 -177.048 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' VAL . . . . . 0.606 ' CG1' ' HB3' ' A' ' 13' ' ' PHE . 1.5 p . . . . . 0 N--CA 1.443 -0.794 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.6 mt -118.15 133.83 55.55 Favored 'General case' 0 N--CA 1.438 -1.073 0 C-N-CA 119.824 -0.751 . . . . 0.0 109.339 160.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.526 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 41.7 t -40.85 127.06 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.425 -176.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.43 -25.59 68.74 Favored Glycine 0 CA--C 1.519 0.299 0 CA-C-N 115.584 -0.735 . . . . 0.0 113.514 -175.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.1 t -86.18 -63.52 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 117.027 0.414 . . . . 0.0 111.818 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.695 ' SG ' HG13 ' A' ' 10' ' ' ILE . 30.8 p -89.75 -12.74 38.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.959 0.409 . . . . 0.0 111.26 -174.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.68 18.13 80.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.142 -0.552 . . . . 0.0 114.057 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.695 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.8 pp -134.14 158.19 42.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-N 117.856 0.828 . . . . 0.0 110.843 -178.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER 55.57 160.25 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.205 1.402 . . . . 0.0 113.359 179.127 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 28.1 mt-10 -68.39 146.72 52.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.983 179.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.606 ' HB3' ' CG1' ' A' ' 3' ' ' VAL . 17.3 p90 -69.94 156.45 39.09 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.865 -176.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -132.59 -20.19 2.33 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.835 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.462 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 32.2 m-85 -128.14 179.69 5.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.223 -178.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -163.05 102.87 0.99 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 t -45.28 124.86 5.7 Favored Pre-proline 0 N--CA 1.465 0.295 0 O-C-N 123.472 0.482 . . . . 0.0 111.024 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.85 -15.92 41.24 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.987 2.458 . . . . 0.0 112.3 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -105.03 -58.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.449 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' CYS . . . . . 0.416 ' HB2' HG12 ' A' ' 22' ' ' VAL . 74.8 m -72.3 -26.09 61.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.176 0.512 . . . . 0.0 111.259 -176.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mt 65.61 14.95 9.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.414 -174.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.416 HG12 ' HB2' ' A' ' 20' ' ' CYS . 13.1 p -76.79 120.22 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-O 121.611 0.72 . . . . 0.0 109.455 178.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.439 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 22.9 mt-30 -76.5 101.23 5.54 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.181 179.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.462 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 4.0 p -92.9 159.74 15.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.253 -177.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' CYS . . . . . 0.526 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 27.4 p -86.05 -27.17 24.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.633 -177.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.402 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 18.8 m -156.42 177.54 11.34 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.59 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.79 -33.58 75.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.55 0.214 . . . . 0.0 110.704 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -52.55 -53.39 46.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.474 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 15.5 m -69.21 -25.52 64.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.502 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.431 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 41.8 m -70.61 -35.83 73.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.917 0.389 . . . . 0.0 110.329 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.446 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 22.1 pttp -94.84 -7.74 39.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.029 0.442 . . . . 0.0 110.757 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.474 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 17.4 mttm -63.39 -45.31 91.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.242 177.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -76.18 -17.29 59.61 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.085 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HD2' ' HA ' ' A' ' 31' ' ' LYS . 95.4 mttt -75.65 -33.85 60.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.018 0.437 . . . . 0.0 110.439 -178.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 32' ' ' LYS . 10.5 t -82.81 -2.45 54.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.615 -174.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -130.85 -32.5 1.65 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.762 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -103.15 0.78 32.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.266 0.555 . . . . 0.0 109.952 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 61.57 34.03 18.02 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.945 176.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.027 176.738 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.38 12.01 2.23 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.772 2.315 . . . . 0.0 113.062 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 60.67 38.54 18.42 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.23 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt -99.44 73.87 1.88 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.258 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.52 149.88 44.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.295 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.44 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 61.5 t -100.44 139.51 21.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.789 178.626 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.7 mt -80.59 155.12 27.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.122 0.487 . . . . 0.0 111.026 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.515 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 52.1 t -56.16 124.36 17.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.31 176.229 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.11 -21.26 63.67 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.119 -0.562 . . . . 0.0 113.161 -178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.9 t -90.59 -63.65 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.845 0.323 . . . . 0.0 111.722 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.7 p -99.3 -30.59 12.15 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.403 -173.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.457 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 47.95 63.81 3.35 Favored Glycine 0 N--CA 1.463 0.435 0 N-CA-C 114.477 0.551 . . . . 0.0 114.477 175.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.418 HD12 ' HG2' ' A' ' 11' ' ' LYS . 1.9 pp -136.08 10.28 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.426 ' HG3' ' H ' ' A' ' 12' ' ' GLU . 13.6 ptmm? -158.96 -66.72 0.08 Allowed 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.664 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.426 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 37.2 tt0 -177.31 175.26 1.5 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -175.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.44 ' CD1' ' HB ' ' A' ' 3' ' ' VAL . 15.7 p90 -107.55 165.49 11.38 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.792 0.33 . . . . 0.0 110.402 173.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -143.9 -19.0 0.58 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.244 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.551 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 31.6 m-85 -125.85 178.09 5.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.486 -178.052 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -160.4 104.13 1.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.7 t -53.69 130.96 55.96 Favored Pre-proline 0 CA--C 1.53 0.192 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.385 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.51 -19.06 67.07 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.142 2.562 . . . . 0.0 112.715 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.52 ' NH1' ' HA ' ' A' ' 39' ' ' CYS . 39.1 mtp180 -100.92 -56.11 2.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.226 0.536 . . . . 0.0 111.412 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.402 ' HB2' HG13 ' A' ' 22' ' ' VAL . 57.0 m -80.44 -18.46 48.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.277 -171.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 mt 60.38 13.04 3.78 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.752 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.402 HG13 ' HB2' ' A' ' 20' ' ' CYS . 12.6 p -75.36 121.92 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.551 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.515 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 25.0 mt-30 -82.4 92.93 7.1 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.814 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.551 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 21.7 p -85.78 157.0 20.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.026 -176.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.457 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 31.4 p -83.97 -24.35 30.67 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.481 -178.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.4 m -159.01 169.46 24.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.978 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.96 -28.85 69.28 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.411 0.444 . . . . 0.0 110.454 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.451 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . 36.1 tt0 -59.86 -38.29 81.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.316 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.5 m -80.63 -26.14 37.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.742 0.305 . . . . 0.0 110.584 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.403 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 53.3 m -68.18 -42.16 80.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.965 0.412 . . . . 0.0 110.308 175.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.451 ' HE3' ' HA ' ' A' ' 28' ' ' GLU . 21.5 pttp -81.31 -7.06 59.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.857 0.36 . . . . 0.0 110.726 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -76.14 -42.57 46.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -74.12 -19.7 60.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.028 0.442 . . . . 0.0 111.13 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 30' ' ' SER . 91.6 mttt -69.83 -32.04 70.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.475 -172.349 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.9 t -82.99 -5.67 59.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.57 -172.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -126.81 -30.07 2.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.307 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -102.95 -0.98 30.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.625 -176.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 61.24 70.27 0.62 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.981 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.52 ' HA ' ' NH1' ' A' ' 19' ' ' ARG . 49.3 t -132.48 147.69 52.37 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.551 -176.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.6 m -116.43 -31.0 5.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.19 0.519 . . . . 0.0 109.987 174.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.31 50.4 3.43 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.6 175.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -125.02 17.45 8.5 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.9 m 77.58 -56.41 0.51 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.552 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -117.53 39.77 3.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.063 0.459 . . . . 0.0 111.084 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 C--O 1.245 0.836 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.275 176.596 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -73.27 88.45 0.98 Allowed 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.42 2.08 . . . . 0.0 112.048 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -74.33 -2.77 26.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.993 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptp -71.91 -14.02 61.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.371 174.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.31 147.25 24.2 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.817 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.409 ' O ' ' HD1' ' A' ' 13' ' ' PHE . 97.1 t -110.88 143.29 21.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.26 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.455 ' HA ' ' HA ' ' A' ' 12' ' ' GLU . 42.8 mt -80.36 155.18 27.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.117 0.484 . . . . 0.0 111.071 178.181 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.525 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 53.9 t -56.2 126.14 24.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.831 178.205 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.88 -16.84 66.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.142 -178.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.2 t -93.11 -59.03 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.6 p -107.33 -20.03 13.4 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.671 -174.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 44.75 59.97 4.06 Favored Glycine 0 N--CA 1.465 0.604 0 N-CA-C 114.992 0.757 . . . . 0.0 114.992 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -142.02 -7.23 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.729 ' HE2' ' SG ' ' A' ' 25' ' ' CYS . 54.1 pttt -152.72 44.83 0.68 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.529 -0.469 . . . . 0.0 112.228 -176.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.455 ' HA ' ' HA ' ' A' ' 4' ' ' LEU . 2.6 mp0 60.66 -172.13 0.14 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.038 0.447 . . . . 0.0 111.217 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.409 ' HD1' ' O ' ' A' ' 3' ' ' VAL . 16.9 p90 -116.0 164.18 14.82 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.27 176.34 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -141.71 -19.56 0.75 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.651 175.135 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.534 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 12.4 m-85 -122.6 179.39 4.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.181 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -164.57 95.48 0.73 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 175.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.9 t -47.4 126.96 9.93 Favored Pre-proline 0 N--CA 1.464 0.237 0 O-C-N 123.622 0.576 . . . . 0.0 111.185 -176.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.572 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 19.0 Cg_endo -61.73 -18.41 60.27 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.89 2.393 . . . . 0.0 112.478 -177.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -99.27 -54.08 3.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.175 0.512 . . . . 0.0 110.916 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 61.1 m -82.44 -21.77 35.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.851 -171.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.1 mt 62.32 15.9 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.977 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -79.69 122.24 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.475 178.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.525 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 48.0 mt-30 -77.99 93.01 4.38 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.071 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.534 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 13.1 p -86.09 153.65 21.94 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.871 -178.481 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.729 ' SG ' ' HE2' ' A' ' 11' ' ' LYS . 27.9 p -76.01 -32.11 59.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.094 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.513 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 49.8 m -160.14 174.91 13.57 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.143 -176.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.57 -29.29 70.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.758 0.313 . . . . 0.0 110.447 -176.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -59.64 -30.94 69.07 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.838 0.351 . . . . 0.0 111.008 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.427 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 4.6 m -88.57 -27.49 21.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.741 0.305 . . . . 0.0 110.777 176.472 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.4 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 57.8 m -64.66 -36.05 83.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.955 0.407 . . . . 0.0 109.978 175.175 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -84.57 -10.48 57.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.862 0.363 . . . . 0.0 110.747 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 23.0 tptp -69.97 -41.13 74.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.451 -177.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -77.61 -15.27 59.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.299 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 30' ' ' SER . 96.3 mttt -72.11 -19.86 61.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.342 -171.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.7 t -98.46 5.22 48.21 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.247 -176.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -135.84 -27.19 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.692 0.282 . . . . 0.0 111.577 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -104.73 -3.51 23.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.677 0.275 . . . . 0.0 110.806 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.1 t30 57.47 84.83 0.09 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.514 -176.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.4 t -149.14 154.73 39.62 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.968 -172.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.1 m -113.47 -8.82 13.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.171 0.51 . . . . 0.0 110.455 173.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.94 44.93 54.36 Favored Glycine 0 C--N 1.334 0.441 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.27 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -151.84 150.05 29.68 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -176.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.572 ' OG1' ' HB2' ' A' ' 18' ' ' PRO . 94.3 m -141.04 91.57 2.42 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 119.997 -0.681 . . . . 0.0 112.129 -174.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -87.37 69.52 9.92 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 171.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.6 t70 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.126 -174.149 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.777 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.77 -6.04 16.5 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.579 2.186 . . . . 0.0 112.441 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 44.2 t60 68.79 -82.03 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.245 0.618 . . . . 0.0 110.576 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt 53.76 78.09 0.16 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 122.923 0.489 . . . . 0.0 111.64 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.78 179.66 0.18 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.266 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.407 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 78.5 t -132.67 131.28 59.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.65 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.0 mt -73.1 140.73 47.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.212 173.447 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 49.8 t -45.35 120.41 2.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.35 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.62 -21.56 62.92 Favored Glycine 0 N--CA 1.453 -0.204 0 CA-C-N 116.046 -0.525 . . . . 0.0 113.156 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 81.6 t -87.76 -67.22 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -178.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.514 ' SG ' HG13 ' A' ' 10' ' ' ILE . 25.0 p -91.2 -30.42 16.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.287 0.565 . . . . 0.0 111.365 -172.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 66.7 34.68 88.16 Favored Glycine 0 C--N 1.332 0.315 0 CA-C-N 115.213 -0.903 . . . . 0.0 114.572 172.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.514 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.4 pp -117.65 -10.33 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 117.968 0.884 . . . . 0.0 112.63 -178.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HG2' HD13 ' A' ' 10' ' ' ILE . 19.3 ptpt -155.41 171.51 19.77 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 177.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -65.43 161.49 19.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.473 0.654 . . . . 0.0 111.048 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.546 ' CG ' ' HB3' ' A' ' 23' ' ' GLN . 25.5 p90 -85.12 166.37 16.68 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.887 -176.21 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -139.57 -15.11 1.07 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.942 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.457 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 38.8 m-85 -127.65 172.62 10.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.466 -178.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -156.27 99.34 1.92 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.0 t -50.6 131.46 27.23 Favored Pre-proline 0 N--CA 1.464 0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.997 -175.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -62.48 -21.17 72.45 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.417 2.745 . . . . 0.0 112.915 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -102.47 -52.5 3.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.132 0.491 . . . . 0.0 111.095 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 56.0 m -83.0 -21.76 33.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.656 -172.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.1 mt 64.28 5.84 2.73 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.173 -174.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.5 p -69.67 128.66 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 CA-C-O 121.762 0.791 . . . . 0.0 109.841 -179.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.546 ' HB3' ' CG ' ' A' ' 13' ' ' PHE . 41.4 mt-30 -85.69 105.84 16.53 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 114.484 -1.234 . . . . 0.0 109.706 -178.141 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.457 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 3.4 p -101.79 148.5 25.21 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.05 -175.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 21.0 p -77.59 -24.54 49.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.958 -174.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.9 m -159.28 168.15 27.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.16 -178.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.412 HD11 ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -61.62 -30.94 71.02 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.366 0.416 . . . . 0.0 110.13 -176.706 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.46 -47.22 73.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.676 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 51.3 m -75.53 -26.93 58.47 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.562 178.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.448 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 11.8 m -65.5 -26.29 67.85 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.953 0.406 . . . . 0.0 110.481 178.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -109.56 -2.06 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.124 0.488 . . . . 0.0 110.87 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.416 ' O ' HG23 ' A' ' 35' ' ' THR . 27.9 tptp -66.71 -42.1 86.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.28 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -74.51 -12.71 60.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.168 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.448 ' HE3' ' O ' ' A' ' 30' ' ' SER . 98.6 mttt -74.71 -23.85 58.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.807 0.336 . . . . 0.0 110.935 -174.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 32' ' ' LYS . 10.8 t -94.91 -2.39 50.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.05 -176.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -121.59 -44.78 2.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.413 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -100.32 -0.48 38.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.833 -176.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 60.57 91.86 0.05 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.469 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.2 t -141.68 137.21 31.59 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.124 0.488 . . . . 0.0 110.928 -175.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.1 p -84.35 -29.78 26.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.726 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.92 25.6 75.21 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.358 -173.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.472 ' C ' ' HG1' ' A' ' 43' ' ' THR . 17.7 mt-30 -134.83 42.39 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -173.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.472 ' HG1' ' C ' ' A' ' 42' ' ' GLN . 17.4 p 47.07 -100.77 0.06 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.423 0.689 . . . . 0.0 112.602 -174.189 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 67.72 -75.18 0.06 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.116 0.567 . . . . 0.0 111.132 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 . . . . . 0 C--O 1.246 0.898 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.069 -179.06 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.61 140.05 91.89 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.729 2.286 . . . . 0.0 112.093 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -83.23 38.66 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.476 0.655 . . . . 0.0 110.771 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptp -143.19 36.73 1.37 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.014 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.26 154.55 27.8 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.059 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t -118.73 133.38 65.77 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.445 -177.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.1 mt -79.43 153.64 29.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.922 175.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.503 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 41.8 t -49.84 129.8 20.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.38 178.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.13 -17.01 73.5 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.912 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.0 t -93.46 -70.86 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 122.836 -0.214 . . . . 0.0 111.456 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.551 ' SG ' HG13 ' A' ' 10' ' ' ILE . 25.5 p -88.04 -35.31 17.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.323 0.582 . . . . 0.0 110.904 -174.189 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.41 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 69.58 24.58 76.15 Favored Glycine 0 C--O 1.226 -0.376 0 CA-C-N 115.216 -0.902 . . . . 0.0 114.736 172.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.551 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.3 pp -102.16 -16.14 7.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 117.82 0.81 . . . . 0.0 111.819 -176.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.531 ' N ' HD11 ' A' ' 10' ' ' ILE . 6.4 ptpp? -146.98 177.67 8.96 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 175.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -61.98 167.42 3.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.579 0.704 . . . . 0.0 111.783 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.403 ' CG ' ' HB3' ' A' ' 23' ' ' GLN . 18.1 p90 -93.2 164.66 13.16 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.372 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -145.64 -23.31 0.47 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.831 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.547 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 17.8 m-85 -116.63 179.69 3.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.96 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -166.76 94.9 0.51 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.0 t -46.22 124.44 7.06 Favored Pre-proline 0 C--O 1.226 -0.153 0 O-C-N 123.766 0.666 . . . . 0.0 111.125 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -67.14 -10.15 27.58 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.556 2.171 . . . . 0.0 111.856 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.512 ' HD3' ' O ' ' A' ' 40' ' ' SER . 16.3 mtp180 -102.36 -47.68 4.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.406 177.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 80.3 m -92.19 -25.31 18.73 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -174.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.7 mt 70.58 6.34 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.127 -173.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.6 p -68.93 125.61 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-O 121.603 0.716 . . . . 0.0 110.149 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.403 ' HB3' ' CG ' ' A' ' 13' ' ' PHE . 45.5 mt-30 -79.21 96.27 5.86 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.954 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.544 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 8.2 p -91.84 154.4 18.92 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.062 -177.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.503 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 31.5 p -80.26 -31.45 38.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.449 -178.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.547 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 59.8 m -160.08 177.45 10.7 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 -176.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.67 -31.59 72.5 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.19 0.306 . . . . 0.0 111.409 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -53.59 -43.34 68.5 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.332 0.587 . . . . 0.0 111.803 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 19.4 m -83.7 -23.6 31.6 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.622 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.576 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 8.5 t -68.69 -29.72 68.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.59 177.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.422 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 17.5 ptpt -96.15 -13.61 23.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.625 178.311 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.539 ' O ' HG23 ' A' ' 35' ' ' THR . 51.2 tptt -63.03 -45.11 93.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.102 -174.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -74.7 -14.33 60.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.978 0.418 . . . . 0.0 110.733 -177.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.576 ' HE3' ' O ' ' A' ' 30' ' ' SER . 94.5 mttt -74.93 -32.83 61.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.073 0.463 . . . . 0.0 110.486 -177.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.539 HG23 ' O ' ' A' ' 32' ' ' LYS . 7.1 t -84.58 2.32 41.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.181 -175.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -126.39 -38.67 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.492 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -109.41 0.78 19.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -177.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.1 t30 58.38 87.51 0.07 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.982 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.1 t -137.44 166.67 23.29 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.2 0.524 . . . . 0.0 111.04 -175.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.512 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 42.3 m -135.48 175.89 9.18 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.18 -0.918 . . . . 0.0 108.838 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -117.01 50.46 0.79 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.023 -1.084 . . . . 0.0 112.505 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 23.2 mp0 -132.33 128.61 38.07 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 176.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.6 m -75.76 132.88 40.74 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.203 -173.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -135.54 114.89 12.5 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.595 -0.717 . . . . 0.0 110.389 -178.175 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.848 -0.501 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -62.61 126.32 18.05 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.768 2.312 . . . . 0.0 112.127 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -83.62 8.06 15.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.025 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -90.42 13.0 16.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.607 0.718 . . . . 0.0 109.728 174.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.427 ' O ' ' HB ' ' A' ' 3' ' ' VAL . . . -156.54 170.88 21.34 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-N 114.701 -1.136 . . . . 0.0 108.164 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.656 ' CG1' ' HB3' ' A' ' 13' ' ' PHE . 1.4 p 169.86 -178.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -169.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 65.9 mt -116.76 129.23 55.98 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 162.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 41.5 t -36.01 120.44 0.62 Allowed 'General case' 0 C--O 1.222 -0.381 0 O-C-N 124.659 1.224 . . . . 0.0 112.538 -178.1 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.15 -23.41 52.46 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 113.948 -174.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.5 t -86.64 -62.69 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -178.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.455 ' SG ' HG13 ' A' ' 10' ' ' ILE . 21.6 p -97.77 -23.74 15.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.955 -173.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 50.5 66.95 2.11 Favored Glycine 0 C--O 1.235 0.192 0 CA-C-N 116.17 -0.468 . . . . 0.0 114.146 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.584 HD12 ' N ' ' A' ' 11' ' ' LYS . 1.9 pp -138.59 -24.47 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 177.017 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.584 ' N ' HD12 ' A' ' 10' ' ' ILE . 5.4 ptpp? -143.46 177.57 8.37 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.815 0.341 . . . . 0.0 111.138 177.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.463 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 31.7 tt0 -63.77 146.1 54.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.919 -177.766 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.656 ' HB3' ' CG1' ' A' ' 3' ' ' VAL . 17.9 p90 -70.98 155.4 40.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.929 -178.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -131.9 -19.04 2.63 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.729 178.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.508 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 26.3 m-85 -130.28 178.0 6.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.987 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -163.86 101.84 0.89 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.7 t -47.86 122.51 9.22 Favored Pre-proline 0 C--O 1.224 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -62.39 -14.84 41.37 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.784 2.322 . . . . 0.0 112.739 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -102.27 -47.59 4.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.687 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 73.5 m -82.3 -28.71 31.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.277 0.561 . . . . 0.0 111.144 -177.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.7 mt 66.67 13.89 9.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.527 -173.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.9 p -75.38 121.6 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-O 121.63 0.729 . . . . 0.0 109.616 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.498 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 36.1 mt-30 -78.46 100.56 6.9 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.05 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.508 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 7.2 p -93.85 160.64 14.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.018 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.486 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 22.1 p -92.21 -20.44 21.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -177.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 59.4 p -155.16 176.06 13.04 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.962 -178.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.93 -26.76 66.13 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 173.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -59.72 -48.38 81.91 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.279 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.3 m -74.61 -22.11 59.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.085 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.405 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 48.5 m -73.49 -33.76 64.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.816 0.341 . . . . 0.0 110.683 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -92.61 -10.49 37.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.149 0.499 . . . . 0.0 110.304 177.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.523 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 51.9 tptt -60.96 -43.42 98.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.467 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -79.25 -13.61 59.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.778 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HE3' ' O ' ' A' ' 30' ' ' SER . 94.1 mttt -78.07 -39.65 41.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.117 0.484 . . . . 0.0 110.081 -178.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.1 t -75.78 -9.46 58.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.471 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.523 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 13.2 ptm180 -114.66 -39.29 3.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.689 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.15 9.28 21.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.613 0.244 . . . . 0.0 111.522 -173.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 57.41 38.26 28.24 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.513 174.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.0 t -80.99 137.07 36.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.919 0.39 . . . . 0.0 110.412 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.3 m -91.86 -12.11 34.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.22 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 44.05 54.64 6.01 Favored Glycine 0 C--N 1.335 0.511 0 CA-C-N 115.753 -0.658 . . . . 0.0 114.058 173.058 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -159.06 127.03 5.03 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.5 p -103.62 -16.79 15.39 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 172.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 34.9 t60 69.71 8.9 6.96 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.568 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.6 t70 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.415 -0.803 . . . . 0.0 109.708 -178.754 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.84 116.46 4.13 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.5 2.133 . . . . 0.0 112.047 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -80.14 79.89 6.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.691 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt -87.78 142.28 27.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.512 -178.352 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.467 ' O ' ' HB ' ' A' ' 3' ' ' VAL . . . -162.63 175.69 11.12 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.619 ' CG1' ' HB3' ' A' ' 13' ' ' PHE . 1.4 p 168.14 -175.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 -170.654 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 45.6 mt -118.25 134.98 54.56 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.199 160.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.491 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 42.3 t -39.37 120.44 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 124.521 1.138 . . . . 0.0 111.804 -177.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.4 -19.31 40.03 Favored Glycine 0 CA--C 1.517 0.197 0 CA-C-N 115.686 -0.688 . . . . 0.0 113.908 -174.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.422 HG12 ' HD3' ' A' ' 32' ' ' LYS . 69.2 t -92.31 -63.05 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.678 ' SG ' HG13 ' A' ' 10' ' ' ILE . 25.9 p -96.29 -34.03 11.75 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.441 0.638 . . . . 0.0 111.635 -173.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.6 33.54 81.37 Favored Glycine 0 C--O 1.227 -0.334 0 CA-C-N 115.025 -0.989 . . . . 0.0 114.738 174.378 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.678 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.2 pp -105.23 -15.06 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 117.811 0.805 . . . . 0.0 112.184 -179.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.484 ' N ' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -154.8 178.92 9.6 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.01 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.549 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 20.0 mp0 -62.63 171.63 1.95 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.714 0.768 . . . . 0.0 111.774 -177.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.619 ' HB3' ' CG1' ' A' ' 3' ' ' VAL . 11.9 p90 -90.34 154.87 19.37 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.894 177.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -133.87 -22.65 1.84 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.152 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.592 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 17.8 m-85 -118.15 175.9 5.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.879 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -164.1 99.38 0.85 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.3 t -51.25 130.36 32.39 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.155 -178.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -65.39 -18.46 60.21 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.937 2.425 . . . . 0.0 112.484 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -104.24 -54.49 2.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.311 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.403 ' HB2' HG11 ' A' ' 22' ' ' VAL . 67.6 m -75.33 -26.02 58.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.976 0.417 . . . . 0.0 111.232 -176.473 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.9 mt 67.63 4.89 4.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.777 -172.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.403 HG11 ' HB2' ' A' ' 20' ' ' CYS . 12.4 p -66.11 121.45 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-O 121.913 0.863 . . . . 0.0 110.083 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.562 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 39.3 mt-30 -79.42 95.43 5.76 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.753 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 8.6 p -90.41 155.43 18.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.026 -177.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.448 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 32.0 p -82.18 -31.82 30.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.255 -178.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.592 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 48.8 m -159.74 173.84 15.41 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.18 -177.53 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.8 -27.98 69.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.68 0.276 . . . . 0.0 111.011 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -53.89 -35.9 62.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.743 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.5 m -90.62 -28.05 18.66 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.379 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.523 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 47.5 m -64.66 -42.78 95.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.889 0.376 . . . . 0.0 110.02 176.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.437 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 64.2 pttt -77.1 -17.38 58.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.66 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.483 ' O ' HG23 ' A' ' 35' ' ' THR . 47.7 tttp -65.74 -40.89 92.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 -176.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -78.49 -17.13 56.7 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.545 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 30' ' ' SER . 66.5 mttm -78.11 -32.8 50.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.988 -178.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 32' ' ' LYS . 6.1 t -71.4 -15.33 62.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.873 0.368 . . . . 0.0 111.481 -176.423 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -116.8 -26.4 6.96 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -112.26 -7.66 14.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.176 0.512 . . . . 0.0 111.199 -175.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 59.41 29.62 19.21 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.329 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.457 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 28.0 t -76.16 105.3 7.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.44 -176.707 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.0 t -89.8 143.6 26.66 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 175.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.17 75.32 1.77 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.099 -176.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -135.36 89.84 2.55 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -178.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -68.17 85.84 0.26 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.983 0.42 . . . . 0.0 110.873 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -75.97 -54.15 7.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.567 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.427 -0.796 . . . . 0.0 109.614 177.649 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 111.704 -0.559 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -65.34 108.59 1.2 Allowed 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.868 2.379 . . . . 0.0 112.085 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -73.7 4.28 5.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.471 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptm -90.3 -6.65 54.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.721 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.15 150.99 40.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.907 0.384 . . . . 0.0 110.934 -177.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.451 ' O ' ' HD1' ' A' ' 13' ' ' PHE . 57.6 t -113.26 140.06 35.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.029 -178.82 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 12' ' ' GLU . 3.0 mm? -79.98 179.09 7.78 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.729 0.776 . . . . 0.0 110.9 176.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.475 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 45.5 t -64.73 132.79 50.59 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.53 175.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.409 ' HA3' ' CG2' ' A' ' 22' ' ' VAL . . . -68.82 -16.13 69.87 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.951 179.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.0 t -96.36 -64.06 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 O-C-N 122.524 -0.398 . . . . 0.0 111.534 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.44 ' SG ' HG13 ' A' ' 10' ' ' ILE . 32.0 p -91.49 -7.12 51.35 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 120.122 -0.631 . . . . 0.0 111.775 -175.294 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.46 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . 62.49 29.82 74.59 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 114.652 0.621 . . . . 0.0 114.652 172.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.459 HD11 ' HG2' ' A' ' 11' ' ' LYS . 2.7 pp -148.39 170.09 2.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 117.644 0.722 . . . . 0.0 111.444 -176.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' HG2' HD11 ' A' ' 10' ' ' ILE . 11.2 ptmm? 52.55 27.07 4.73 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.447 1.499 . . . . 0.0 113.991 174.224 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.431 ' HA ' ' HA ' ' A' ' 4' ' ' LEU . 34.7 mt-10 65.66 171.48 0.22 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.517 0.675 . . . . 0.0 111.488 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.451 ' HD1' ' O ' ' A' ' 3' ' ' VAL . 23.5 p90 -104.45 164.55 11.66 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.378 178.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -141.17 -28.31 0.68 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.209 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.59 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 11.1 m-85 -113.93 179.67 3.89 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.336 -178.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -163.37 104.32 0.96 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.336 175.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.503 ' SG ' ' HA2' ' A' ' 41' ' ' GLY . 40.6 t -51.68 121.86 19.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.612 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.8 -17.86 57.47 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.72 2.28 . . . . 0.0 112.515 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -96.59 -46.65 6.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.556 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.401 ' HB2' HG12 ' A' ' 22' ' ' VAL . 85.5 m -89.43 -23.51 22.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.115 0.483 . . . . 0.0 111.521 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.9 mt 64.6 17.09 10.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.412 -173.362 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.409 ' CG2' ' HA3' ' A' ' 6' ' ' GLY . 12.9 p -80.16 121.46 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.451 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 24.6 mt-30 -83.08 97.35 8.73 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.366 -177.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.414 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 3.5 p -90.45 159.36 16.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.138 -175.2 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.475 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 28.9 p -82.18 -31.34 30.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.942 0.401 . . . . 0.0 110.497 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.59 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 49.1 m -160.25 168.26 25.75 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.025 -177.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.6 mt -57.33 -29.28 63.84 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.861 0.362 . . . . 0.0 110.817 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.407 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 15.3 tp10 -51.56 -40.89 60.59 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.775 176.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.2 m -90.04 -24.18 21.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.859 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.459 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 8.9 m -65.82 -36.51 83.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.985 0.422 . . . . 0.0 110.146 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.407 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 65.1 pttt -87.97 -7.89 56.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.409 ' O ' HG21 ' A' ' 35' ' ' THR . 24.1 tptm -64.27 -45.23 88.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.756 -177.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -77.11 -15.05 59.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.85 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.459 ' HE3' ' O ' ' A' ' 30' ' ' SER . 94.4 mttt -76.23 -32.9 59.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.83 0.348 . . . . 0.0 110.8 -174.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.409 HG21 ' O ' ' A' ' 32' ' ' LYS . 11.5 t -76.5 -14.73 60.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.819 -175.569 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -122.15 -5.11 8.94 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -175.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -131.48 1.38 4.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.93 0.395 . . . . 0.0 111.311 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 61.0 28.94 18.7 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.009 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.2 t -79.19 146.62 33.0 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 177.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.6 p -94.75 -26.69 16.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.4 0.619 . . . . 0.0 110.685 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.503 ' HA2' ' SG ' ' A' ' 17' ' ' CYS . . . 68.9 35.32 79.08 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.082 -175.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -153.93 144.41 22.34 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -177.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.4 p -124.38 99.78 6.36 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.772 0.32 . . . . 0.0 111.785 -176.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -89.03 -36.46 15.79 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.057 178.236 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.562 0 N-CA-C 111.545 -0.622 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -74.23 137.55 23.75 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.327 2.018 . . . . 0.0 111.881 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -80.81 73.54 7.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.257 0.551 . . . . 0.0 110.229 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.0 mtp -95.55 171.21 8.82 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.959 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.34 176.43 10.55 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -177.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.628 ' CG1' ' HB3' ' A' ' 13' ' ' PHE . 1.6 p 171.69 -178.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 -169.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.2 mt -117.56 135.3 54.05 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 162.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.512 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 51.0 t -38.89 125.36 1.48 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.555 -1.202 . . . . 0.0 112.747 -174.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.92 -20.03 64.01 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.706 -0.679 . . . . 0.0 113.541 -176.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.3 t -93.41 -65.02 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -178.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.709 ' SG ' HG13 ' A' ' 10' ' ' ILE . 31.3 p -88.49 -12.02 44.15 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.456 -174.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.14 15.19 81.25 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 121.116 -0.564 . . . . 0.0 114.13 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.709 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.7 pp -132.24 154.53 40.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 117.76 0.78 . . . . 0.0 110.665 -177.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.515 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 10.9 ptmm? 56.0 168.31 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.881 1.272 . . . . 0.0 112.867 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -71.45 154.38 41.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.103 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.628 ' HB3' ' CG1' ' A' ' 3' ' ' VAL . 18.1 p90 -75.04 155.34 37.35 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.36 177.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -131.62 -25.03 2.17 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.791 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.506 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 21.2 m-85 -121.15 -178.45 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.132 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -164.57 96.8 0.76 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.9 t -49.74 126.52 18.42 Favored Pre-proline 0 C--N 1.333 -0.13 0 O-C-N 123.416 0.448 . . . . 0.0 111.46 -177.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -63.3 -16.85 57.08 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 123.03 2.487 . . . . 0.0 112.759 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -103.58 -47.2 4.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.485 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.449 ' HB2' HG12 ' A' ' 22' ' ' VAL . 81.7 m -85.63 -24.62 27.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.955 0.407 . . . . 0.0 111.72 -174.187 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.9 mt 64.02 12.87 7.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.454 -172.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.449 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.6 p -74.51 120.87 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.46 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.522 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 38.4 mt-30 -79.89 97.49 6.72 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.427 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.506 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 11.7 p -90.42 153.47 20.38 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.026 -176.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.512 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 20.5 p -84.4 -18.28 36.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.458 -177.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.2 p -162.68 178.4 8.54 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.801 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.495 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 87.9 mt -68.98 -22.73 64.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.153 0.502 . . . . 0.0 109.842 173.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.458 ' OE2' ' HE3' ' A' ' 31' ' ' LYS . 7.7 tp10 -60.79 -42.76 98.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.805 178.402 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.5 m -84.33 -25.37 29.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.981 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.495 ' OG ' ' HA ' ' A' ' 27' ' ' LEU . 65.9 p -71.35 -34.02 70.11 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.37 178.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.521 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 16.6 pttp -84.93 -14.76 46.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.066 0.46 . . . . 0.0 110.376 177.245 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -66.27 -34.05 77.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.452 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -83.91 -15.67 47.12 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.841 176.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.54 ' HG2' ' O ' ' A' ' 39' ' ' CYS . 59.8 mttm -77.9 -26.55 49.19 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.035 0.445 . . . . 0.0 110.661 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.7 t -89.27 6.97 37.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.956 -176.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -136.83 -35.12 0.72 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.714 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -107.02 -5.1 18.33 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.205 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 51.48 82.34 0.06 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.273 0.558 . . . . 0.0 110.641 -176.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.54 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 26.6 t -132.64 113.16 12.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.299 -174.264 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.7 t -89.63 134.92 33.9 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.09 56.87 4.31 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.298 -175.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -114.28 -6.06 12.97 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.857 0.36 . . . . 0.0 110.497 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.2 m 72.79 -47.31 0.67 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.637 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -59.01 -65.39 0.67 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.343 0.402 . . . . 0.0 110.355 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.164 177.15 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.771 -0.532 . . . . 0.0 111.771 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -48.46 -59.85 1.09 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.332 2.688 . . . . 0.0 112.994 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 40.9 m80 54.44 51.26 14.48 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.526 0.679 . . . . 0.0 110.141 -177.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptm -140.5 18.41 2.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.403 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.67 130.26 35.34 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.551 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.6 t -107.42 140.37 25.93 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.335 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.82 145.26 48.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.629 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.537 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 53.3 t -45.13 123.68 4.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.603 177.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.82 -24.42 62.44 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.768 -0.651 . . . . 0.0 113.4 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.2 t -87.97 -67.1 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.819 0.309 . . . . 0.0 111.772 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.622 ' SG ' HG13 ' A' ' 10' ' ' ILE . 21.9 p -92.38 -29.98 16.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.221 0.534 . . . . 0.0 111.786 -171.341 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.42 32.75 85.2 Favored Glycine 0 C--N 1.331 0.274 0 CA-C-N 115.213 -0.903 . . . . 0.0 114.946 173.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.622 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.4 pp -108.74 -14.94 9.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 117.945 0.872 . . . . 0.0 111.853 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.487 ' N ' HD12 ' A' ' 10' ' ' ILE . 21.9 ptmt -150.35 173.98 13.38 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.98 163.7 3.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.725 0.774 . . . . 0.0 111.581 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.461 ' CG ' ' HB3' ' A' ' 23' ' ' GLN . 21.1 p90 -88.39 155.29 19.77 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.2 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -134.7 -17.7 1.94 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.963 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.522 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 24.5 m-85 -125.66 -179.15 4.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.16 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -168.09 99.57 0.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.4 t -50.62 127.69 25.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 123.56 0.538 . . . . 0.0 111.854 -177.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -60.72 -19.73 62.34 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.243 2.629 . . . . 0.0 112.873 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -99.66 -47.47 5.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.012 0.434 . . . . 0.0 111.369 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.5 m -89.83 -22.55 22.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.884 -171.242 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.8 mt 62.81 13.33 6.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.183 -176.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.1 p -78.4 120.95 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.461 ' HB3' ' CG ' ' A' ' 13' ' ' PHE . 25.4 mt-30 -79.94 100.55 8.14 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.113 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.522 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 11.4 p -92.22 160.55 15.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.915 -176.292 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 23.9 p -89.89 -20.22 23.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 -178.361 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.9 p -158.11 175.51 13.7 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.718 -177.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.92 -25.65 67.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.062 172.544 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.76 -48.72 80.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.116 0.484 . . . . 0.0 110.427 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.3 m -75.79 -20.78 57.96 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.99 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.2 m -74.39 -37.96 63.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.452 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -84.45 -13.67 51.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.94 0.4 . . . . 0.0 110.198 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.405 ' O ' HG22 ' A' ' 35' ' ' THR . 27.2 tptp -60.74 -48.67 80.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.905 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -74.2 -11.58 60.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.198 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -76.92 -27.01 54.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.748 0.309 . . . . 0.0 111.074 -173.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.405 HG22 ' O ' ' A' ' 32' ' ' LYS . 12.7 t -85.82 1.13 50.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.043 0.449 . . . . 0.0 111.034 -177.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -128.58 -30.55 2.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.498 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -99.76 -8.09 24.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.112 0.482 . . . . 0.0 110.48 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 61.85 27.51 16.77 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.893 0.854 . . . . 0.0 110.496 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.1 t -83.56 148.63 27.07 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.312 -1.313 . . . . 0.0 109.165 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.1 m -114.49 -7.75 12.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.054 0.454 . . . . 0.0 110.687 175.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.96 44.81 8.78 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.886 -0.597 . . . . 0.0 113.119 175.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -159.35 118.09 2.88 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -66.12 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.593 178.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -151.91 2.15 0.37 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.061 0.458 . . . . 0.0 110.519 169.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 . . . . . 0 C--O 1.249 1.048 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.139 177.119 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.801 -0.519 . . . . 0.0 111.801 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.04 145.34 49.52 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.702 2.268 . . . . 0.0 112.168 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -84.31 -15.56 46.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.5 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -80.91 59.69 3.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 122.108 0.956 . . . . 0.0 110.164 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.444 ' O ' ' HB ' ' A' ' 3' ' ' VAL . . . -151.15 171.06 17.98 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 114.364 -1.289 . . . . 0.0 108.539 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.655 ' CG1' ' HB3' ' A' ' 13' ' ' PHE . 1.5 p 168.13 -173.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 -168.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 42.0 mt -118.74 129.61 55.35 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.406 161.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.503 ' HB3' ' H ' ' A' ' 9' ' ' GLY . 50.3 t -35.67 122.26 0.65 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 114.352 -1.294 . . . . 0.0 112.035 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.85 -15.45 55.12 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 121.293 -0.479 . . . . 0.0 113.275 -176.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -92.58 -62.04 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 122.797 -0.237 . . . . 0.0 111.473 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.7 p -103.83 -34.04 8.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.046 -174.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.503 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 51.17 70.14 0.94 Allowed Glycine 0 N--CA 1.46 0.275 0 CA-C-N 116.052 -0.522 . . . . 0.0 114.165 176.449 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.433 HD13 ' HG2' ' A' ' 11' ' ' LYS . 1.9 pp -142.36 14.7 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.488 ' HG3' ' H ' ' A' ' 12' ' ' GLU . 19.6 ptmt -162.51 -68.89 0.05 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.491 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 31.0 tt0 178.13 168.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -176.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.655 ' HB3' ' CG1' ' A' ' 3' ' ' VAL . 6.0 p90 -95.89 152.65 18.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.074 0.464 . . . . 0.0 110.587 174.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -132.28 -18.94 2.52 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.463 174.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.459 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 27.0 m-85 -124.89 172.57 9.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.643 -178.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -154.84 107.3 2.75 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 174.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.9 t -49.7 130.02 20.24 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.347 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.502 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 56.2 Cg_endo -70.52 -12.23 31.12 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.82 2.346 . . . . 0.0 112.047 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.475 ' HD3' ' SG ' ' A' ' 39' ' ' CYS . 67.0 mtp180 -102.92 -49.84 3.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.008 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.2 m -91.53 -20.69 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.624 -174.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.2 mt 63.22 17.13 9.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.983 -175.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.8 p -80.56 120.89 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-O 121.671 0.748 . . . . 0.0 110.131 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.491 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 44.0 mt-30 -68.48 109.08 3.54 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.878 177.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 p -108.51 151.34 26.21 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.406 -176.244 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.0 p -79.76 -31.98 40.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.005 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.459 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 75.1 m -157.47 168.64 26.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.57 -177.273 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.3 mt -57.11 -32.83 66.71 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.398 0.436 . . . . 0.0 111.474 -177.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -53.3 -45.39 68.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.92 0.391 . . . . 0.0 110.552 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.413 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 32.8 m -78.88 -28.18 44.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.789 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.541 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 13.9 m -67.41 -22.82 65.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.982 0.42 . . . . 0.0 110.378 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -111.62 8.88 21.03 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.051 0.453 . . . . 0.0 110.662 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.413 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 27.1 tptp -80.91 -41.31 23.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.263 0.554 . . . . 0.0 110.164 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -73.75 -14.95 61.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.344 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HE3' ' O ' ' A' ' 30' ' ' SER . 98.6 mttt -67.88 -20.99 65.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 111.23 -171.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.412 HG23 ' O ' ' A' ' 32' ' ' LYS . 11.7 t -81.13 -21.0 40.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.348 -177.604 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.442 ' HG3' ' OD1' ' A' ' 37' ' ' ASP . 21.7 ptt180 -118.6 -18.19 9.11 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.745 0.307 . . . . 0.0 111.726 -175.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.442 ' OD1' ' HG3' ' A' ' 36' ' ' ARG . 1.2 m-20 -105.38 -3.25 22.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.062 0.458 . . . . 0.0 110.061 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 56.26 47.56 19.0 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.062 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.475 ' SG ' ' HD3' ' A' ' 19' ' ' ARG . 45.6 t -103.77 170.31 8.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.865 -1.062 . . . . 0.0 110.512 -173.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.4 p -151.04 -76.74 0.14 Allowed 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.256 -175.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.78 63.83 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -123.77 -27.0 4.03 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.77 0.319 . . . . 0.0 110.467 -172.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.502 ' OG1' ' HB2' ' A' ' 18' ' ' PRO . 5.9 m 62.77 75.12 0.41 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.476 0.655 . . . . 0.0 110.376 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -148.3 32.22 0.82 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--O 1.251 1.152 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.048 -172.874 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 112.138 -0.385 . . . . 0.0 112.138 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . 0.52 ' HG2' ' O ' ' A' ' 2' ' ' ALA . 57.9 Cg_endo -74.71 163.95 34.7 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.647 2.231 . . . . 0.0 112.298 178.135 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -108.8 -0.75 19.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.35 . . . . 0.0 111.724 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptp -73.34 -33.17 64.97 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 170.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.52 ' O ' ' HG2' ' A' ' -1' ' ' PRO . . . -168.52 143.02 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.66 -1.155 . . . . 0.0 108.378 177.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.484 ' O ' ' HD1' ' A' ' 13' ' ' PHE . 60.7 t -88.2 134.2 28.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 121.068 0.461 . . . . 0.0 110.702 -177.157 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.1 mt -78.8 148.81 32.78 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.022 176.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.457 ' HB3' ' H ' ' A' ' 9' ' ' GLY . 46.8 t -43.27 123.88 3.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.179 177.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.8 -22.11 56.62 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 121.091 -0.576 . . . . 0.0 113.504 -177.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 89.4 t -92.09 -65.09 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 122.559 -0.377 . . . . 0.0 111.809 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.5 p -97.48 -26.36 14.86 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.054 -174.336 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.457 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 46.6 59.45 5.38 Favored Glycine 0 N--CA 1.459 0.218 0 N-CA-C 114.607 0.603 . . . . 0.0 114.607 176.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.459 HD11 ' N ' ' A' ' 11' ' ' LYS . 2.0 pp -140.67 -11.54 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.459 ' N ' HD11 ' A' ' 10' ' ' ILE . 5.9 ptpp? -142.05 41.0 1.66 Allowed 'General case' 0 N--CA 1.466 0.363 0 O-C-N 122.049 -0.407 . . . . 0.0 111.618 -178.435 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.513 ' HG2' ' H ' ' A' ' 13' ' ' PHE . 37.6 tt0 63.75 178.71 0.16 Allowed 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.556 ' CD2' ' HB3' ' A' ' 23' ' ' GLN . 21.2 p90 -107.64 162.1 14.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.85 0.357 . . . . 0.0 110.384 174.375 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -139.39 -30.15 0.73 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.281 178.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.612 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 6.4 m-85 -108.69 -175.75 2.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.38 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -165.64 100.26 0.69 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 43.0 t -52.99 126.44 43.13 Favored Pre-proline 0 N--CA 1.463 0.196 0 CA-C-O 120.724 0.297 . . . . 0.0 111.284 -177.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -54.78 -27.03 50.45 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.406 2.737 . . . . 0.0 112.953 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -100.82 -53.85 2.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.804 0.335 . . . . 0.0 111.68 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.401 ' HB2' HG11 ' A' ' 22' ' ' VAL . 63.7 m -76.28 -24.94 54.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.608 -173.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mt 65.42 4.94 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.986 -174.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.401 HG11 ' HB2' ' A' ' 20' ' ' CYS . 12.0 p -69.85 128.92 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 177.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.556 ' HB3' ' CD2' ' A' ' 13' ' ' PHE . 22.8 mt-30 -89.54 98.61 11.87 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.389 -175.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.511 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 20.2 p -89.39 162.8 15.59 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.837 -177.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.8 p -89.11 -26.17 21.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.845 0.355 . . . . 0.0 110.456 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.612 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 66.7 m -161.07 173.75 14.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.265 -177.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.95 -30.83 71.18 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.237 0.335 . . . . 0.0 111.18 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.431 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 1.4 tm-20 -54.09 -41.19 67.98 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.178 0.513 . . . . 0.0 110.192 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.547 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 33.4 m -84.68 -23.3 29.47 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.338 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 40.6 m -69.84 -34.44 73.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.881 0.372 . . . . 0.0 110.401 177.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.431 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 63.1 pttt -90.85 -2.55 57.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.222 0.534 . . . . 0.0 110.302 178.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.547 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 4.0 tptm -74.17 -41.75 60.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.452 -178.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -77.6 -15.2 59.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.786 -177.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -72.17 -19.64 61.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.029 0.442 . . . . 0.0 110.74 -173.129 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.414 HG23 ' O ' ' A' ' 32' ' ' LYS . 13.6 t -100.15 2.31 42.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.124 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -134.2 -27.57 1.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -109.49 -3.07 17.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.549 0.214 . . . . 0.0 110.925 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 61.81 95.13 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.755 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.7 t -161.11 152.36 18.87 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.056 -174.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.5 m -122.04 -19.64 6.56 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.442 0.639 . . . . 0.0 109.739 172.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.98 44.37 8.25 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.677 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -134.68 90.66 2.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.815 0.34 . . . . 0.0 110.591 -176.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.5 p -78.89 143.13 36.19 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.514 177.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -113.06 40.14 2.39 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.402 0.62 . . . . 0.0 109.814 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.5 t70 . . . . . 0 C--O 1.247 0.963 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.946 -178.664 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.597 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.4 143.99 71.95 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.611 2.207 . . . . 0.0 111.867 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -84.83 68.09 10.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.756 0.788 . . . . 0.0 109.816 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.9 mtp -63.21 120.01 10.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.809 -176.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.18 154.73 50.36 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.958 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.68 131.37 66.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 71.6 mt -75.25 145.38 41.97 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.372 176.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.491 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 41.9 t -46.68 123.71 5.32 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.225 176.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.81 -22.23 64.11 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 121.219 -0.515 . . . . 0.0 113.429 -176.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 79.1 t -88.74 -66.6 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 122.719 -0.283 . . . . 0.0 111.587 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.545 ' SG ' HG13 ' A' ' 10' ' ' ILE . 19.8 p -91.29 -33.82 15.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.493 -174.207 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.96 54.12 37.51 Favored Glycine 0 C--O 1.235 0.191 0 C-N-CA 121.411 -0.423 . . . . 0.0 113.79 177.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.545 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.3 pp -127.74 -1.49 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.825 0.345 . . . . 0.0 111.514 176.627 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -165.18 172.77 12.1 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.339 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -61.39 147.75 43.88 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 123.607 0.567 . . . . 0.0 110.712 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -78.04 159.23 28.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.505 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -137.07 -14.66 1.55 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.282 0.563 . . . . 0.0 110.582 177.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.497 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 38.5 m-85 -124.67 175.76 7.0 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.571 -177.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 tttt -159.84 99.95 1.41 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 t -52.82 129.05 46.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 111.652 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.23 -23.93 72.45 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.109 2.539 . . . . 0.0 112.552 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -95.44 -56.23 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.281 0.562 . . . . 0.0 111.195 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.4 m -81.63 -22.91 37.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.605 -171.709 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 mt 62.3 15.93 8.05 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.836 -173.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.3 p -77.23 127.28 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.95 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 177.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.481 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 22.5 mt-30 -87.14 96.34 10.28 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.887 -177.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.497 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 15.0 p -88.93 159.38 17.68 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.873 -177.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.491 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 24.6 p -87.61 -25.34 23.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.315 -178.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.454 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 68.0 m -159.71 168.09 26.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.315 -177.077 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.47 -35.83 70.67 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.422 0.452 . . . . 0.0 111.222 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -56.68 -30.72 63.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.508 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.426 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 33.4 m -89.1 -26.22 21.47 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 120.786 0.327 . . . . 0.0 110.873 177.54 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.5 m -69.03 -33.96 74.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.063 0.458 . . . . 0.0 110.328 176.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -85.29 -13.94 48.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.634 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 17.4 tptp -66.94 -37.74 84.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.497 -176.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -83.25 -13.02 56.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.181 -177.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -72.74 -25.48 61.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.934 0.397 . . . . 0.0 110.978 -173.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.0 t -82.4 -0.42 45.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.183 -177.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -130.11 -15.61 3.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.685 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -110.8 -8.25 14.55 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.368 -177.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 62.58 27.31 16.15 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 122.604 1.192 . . . . 0.0 108.857 -173.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.2 t -85.56 147.23 26.52 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.076 -176.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.9 m -118.37 -13.67 9.79 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.128 0.49 . . . . 0.0 110.508 175.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.16 43.84 88.66 Favored Glycine 0 C--N 1.333 0.378 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.063 -178.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.403 ' C ' ' H ' ' A' ' 44' ' ' HIS . 21.8 mt-30 -143.82 89.87 2.09 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -176.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.5 p -83.09 25.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.48 0.657 . . . . 0.0 111.167 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.403 ' H ' ' C ' ' A' ' 42' ' ' GLN . 36.4 p-80 -140.46 32.37 1.88 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.229 -0.896 . . . . 0.0 108.984 176.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 C--O 1.247 0.972 0 CA-C-N 114.596 -1.183 . . . . 0.0 110.998 -178.767 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.92 138.35 57.09 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.687 2.258 . . . . 0.0 112.371 -178.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -87.56 53.71 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.47 0.653 . . . . 0.0 109.732 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptp -172.69 155.05 3.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.533 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.83 154.64 37.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.426 0.631 . . . . 0.0 111.524 -178.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.545 ' O ' ' HD1' ' A' ' 13' ' ' PHE . 50.4 t -129.05 141.59 46.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 173.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.617 ' N ' HD21 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -96.12 169.52 9.9 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.749 -0.78 . . . . 0.0 110.625 -175.196 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.485 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 34.5 t -48.94 128.75 16.43 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.794 -1.093 . . . . 0.0 111.405 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.42 -16.95 68.0 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.15 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.0 t -93.08 -59.3 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.651 ' SG ' HG13 ' A' ' 10' ' ' ILE . 20.4 p -107.24 -10.67 15.77 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 120.406 -0.517 . . . . 0.0 112.279 -174.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.433 ' O ' HD12 ' A' ' 4' ' ' LEU . . . 56.74 35.75 69.06 Favored Glycine 0 N--CA 1.464 0.521 0 CA-C-N 115.806 -0.633 . . . . 0.0 114.647 176.467 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.651 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.8 pp -138.25 162.13 30.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 117.141 0.471 . . . . 0.0 110.55 175.3 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 18.5 ptmt 59.44 20.29 8.66 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.956 1.303 . . . . 0.0 112.793 173.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.507 ' HA ' HD22 ' A' ' 4' ' ' LEU . 38.1 mt-10 65.12 152.53 0.05 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 122.093 0.949 . . . . 0.0 112.564 178.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.545 ' HD1' ' O ' ' A' ' 3' ' ' VAL . 8.4 p90 -77.77 154.41 31.98 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.428 175.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.489 ' HB2' ' HZ3' ' A' ' 14' ' ' LYS . 3.8 ttmp? -137.21 -27.6 0.96 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.339 0.59 . . . . 0.0 110.122 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.45 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 11.9 m-85 -114.05 -176.05 2.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.396 -177.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.422 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 35.5 ttpt -166.53 104.68 0.61 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.318 176.43 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 t -50.41 126.54 22.26 Favored Pre-proline 0 N--CA 1.462 0.17 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.667 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.0 -13.54 38.07 Favored 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 122.759 2.306 . . . . 0.0 112.62 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -106.37 -55.62 2.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.204 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.402 ' HB2' HG13 ' A' ' 22' ' ' VAL . 80.8 m -73.48 -25.07 60.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.865 0.364 . . . . 0.0 111.397 -176.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mt 64.74 13.9 8.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.482 -173.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.422 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 14.6 p -74.74 121.68 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.019 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.509 ' HB3' ' CG ' ' A' ' 13' ' ' PHE . 23.5 mt-30 -77.58 96.12 4.71 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.172 178.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.45 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 1.6 p -90.0 155.54 19.02 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.025 -177.055 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.485 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 30.2 p -82.18 -28.23 32.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.144 0.497 . . . . 0.0 110.508 -178.162 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.9 p -148.67 174.82 11.76 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.434 -176.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.442 HD13 ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -69.39 -24.64 63.89 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 174.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -62.75 -50.83 69.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.534 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.2 m -69.23 -24.09 63.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.755 0.312 . . . . 0.0 110.688 177.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.484 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 37.5 m -70.71 -24.24 62.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.802 179.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -105.07 -7.44 19.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.966 0.412 . . . . 0.0 110.801 178.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -67.91 -42.43 81.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.513 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -72.42 -17.88 61.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.484 ' HE3' ' O ' ' A' ' 30' ' ' SER . 96.7 mttt -72.2 -33.46 67.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.99 0.424 . . . . 0.0 110.604 -176.096 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 t -89.91 2.55 54.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.42 -172.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -130.14 -35.6 1.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.521 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -104.61 -6.24 20.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.897 0.379 . . . . 0.0 110.68 -175.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.7 t30 63.04 88.46 0.1 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.78 -177.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.6 t -137.83 137.7 38.41 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.144 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -85.78 -14.89 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.275 0.56 . . . . 0.0 110.265 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.447 ' HA3' ' HE2' ' A' ' 34' ' ' LYS . . . 55.57 37.54 67.83 Favored Glycine 0 C--N 1.336 0.582 0 CA-C-N 114.825 -1.08 . . . . 0.0 114.167 174.227 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -154.51 148.77 26.0 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.5 p -125.17 -43.69 1.93 Allowed 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.865 0.841 . . . . 0.0 109.945 176.005 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -151.14 38.35 0.65 Allowed 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 106.649 -1.612 . . . . 0.0 106.649 173.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--O 1.246 0.913 0 CA-C-N 113.651 -1.613 . . . . 0.0 110.409 -167.108 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.08 124.56 11.49 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.765 2.31 . . . . 0.0 111.58 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -84.34 -11.25 56.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.894 0.378 . . . . 0.0 110.624 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ptm -63.47 126.99 29.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.356 177.021 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.47 ' O ' ' HB ' ' A' ' 3' ' ' VAL . . . -166.01 173.32 10.52 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.253 -175.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.689 ' CG1' ' HB3' ' A' ' 13' ' ' PHE . 1.1 p 164.81 -176.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 -170.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.2 mt -116.52 132.62 56.63 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 119.4 -0.92 . . . . 0.0 110.676 165.533 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.49 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 53.4 t -44.87 124.62 4.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.231 -1.349 . . . . 0.0 111.837 -178.389 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.59 -27.42 66.1 Favored Glycine 0 N--CA 1.452 -0.234 0 CA-C-N 115.797 -0.638 . . . . 0.0 113.345 -177.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 84.4 t -84.92 -65.43 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 111.792 0.294 . . . . 0.0 111.792 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.4 p -95.81 -31.85 12.97 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.223 -174.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.43 70.93 0.76 Allowed Glycine 0 N--CA 1.46 0.243 0 CA-C-N 116.32 -0.4 . . . . 0.0 113.979 177.413 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.555 HD11 ' N ' ' A' ' 11' ' ' LYS . 1.7 pp -138.25 -27.56 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 178.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.555 ' N ' HD11 ' A' ' 10' ' ' ILE . 22.2 ptmt -125.4 -64.83 1.05 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -175.656 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.55 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 38.1 tt0 176.7 167.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 -170.022 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.689 ' HB3' ' CG1' ' A' ' 3' ' ' VAL . 7.0 p90 -94.92 157.99 15.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.044 0.45 . . . . 0.0 110.95 174.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -140.32 -19.57 0.87 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.489 176.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.487 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 19.9 m-85 -126.85 -178.96 4.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.843 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 36.7 ttpt -166.42 97.63 0.59 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 178.003 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.7 t -45.21 125.18 5.63 Favored Pre-proline 0 N--CA 1.463 0.206 0 O-C-N 123.766 0.666 . . . . 0.0 111.835 -176.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -63.57 -13.54 37.13 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.959 2.439 . . . . 0.0 112.625 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 68.9 mtt180 -98.45 -59.37 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.247 0.546 . . . . 0.0 110.698 175.059 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 58.8 m -82.02 -20.7 37.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.914 -170.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mt 63.07 16.73 9.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.762 -176.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.443 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 10.0 p -78.05 125.43 37.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-O 121.432 0.634 . . . . 0.0 109.675 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.513 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 48.3 mt-30 -79.51 94.96 5.7 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.011 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.487 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 12.3 p -90.5 156.13 18.4 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.852 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.8 p -86.54 -24.54 25.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.713 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.425 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 55.2 m -159.28 169.9 23.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.474 -177.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.2 mt -58.53 -32.79 69.18 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.339 0.399 . . . . 0.0 110.464 177.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -48.31 -49.86 32.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.774 174.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.494 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 24.6 m -79.49 -25.03 41.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.277 -178.462 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.409 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 61.0 m -67.52 -38.75 84.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.053 0.454 . . . . 0.0 110.414 178.247 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.461 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 63.8 pttt -87.01 -7.56 58.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.668 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.494 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 14.3 tptt -66.16 -45.76 79.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.653 -177.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -74.88 -15.07 60.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.04 0.448 . . . . 0.0 110.668 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.461 ' HD2' ' HA ' ' A' ' 31' ' ' LYS . 91.0 mttt -76.87 -27.04 54.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.934 0.397 . . . . 0.0 110.594 -178.355 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.45 HG21 ' O ' ' A' ' 32' ' ' LYS . 6.0 t -94.29 -1.62 53.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.257 -175.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 11.9 ptp180 -128.62 -30.11 2.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.834 -177.796 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -115.77 -3.42 12.24 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.241 -0.287 . . . . 0.0 111.209 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.5 t30 61.93 104.48 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.998 0.811 . . . . 0.0 111.399 -177.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.8 t -149.88 133.83 17.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.321 -178.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.8 m -84.96 -19.34 32.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.162 0.506 . . . . 0.0 111.048 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 57.52 33.74 67.42 Favored Glycine 0 C--N 1.337 0.631 0 CA-C-N 115.279 -0.873 . . . . 0.0 113.874 175.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -129.49 26.16 5.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.324 0.583 . . . . 0.0 109.966 -176.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER 69.75 -54.28 0.6 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.772 -178.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -53.51 127.92 26.99 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.363 0.414 . . . . 0.0 110.204 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.37 -0.824 . . . . 0.0 110.277 -177.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.707 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -64.03 114.79 2.78 Favored 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.57 2.18 . . . . 0.0 111.555 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -70.72 -29.61 65.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.458 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.6 mmm 55.96 -101.99 0.14 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.403 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.448 ' O ' ' HB ' ' A' ' 3' ' ' VAL . . . 66.61 171.0 0.24 Allowed 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.657 0.741 . . . . 0.0 111.274 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.609 ' CG1' ' HB3' ' A' ' 13' ' ' PHE . 1.0 OUTLIER 167.67 179.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 -170.374 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 51.3 mt -119.93 129.07 54.16 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 119.734 -0.786 . . . . 0.0 109.752 163.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 53.6 t -35.64 118.7 0.5 Allowed 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 114.26 -1.336 . . . . 0.0 112.319 -177.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.8 -21.56 51.68 Favored Glycine 0 CA--C 1.518 0.249 0 CA-C-N 115.938 -0.574 . . . . 0.0 113.42 -176.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.9 t -88.94 -63.02 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -177.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.506 ' SG ' HG13 ' A' ' 10' ' ' ILE . 27.0 p -96.67 -22.01 17.26 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.463 0.649 . . . . 0.0 111.643 -173.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 59.46 39.11 94.47 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 114.915 -1.038 . . . . 0.0 115.062 173.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.506 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.5 pp -123.53 -14.64 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 118.095 0.947 . . . . 0.0 112.974 -178.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.493 ' N ' HD13 ' A' ' 10' ' ' ILE . 21.2 ptmt -147.99 175.4 11.02 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.316 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -64.23 155.87 30.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.677 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.609 ' HB3' ' CG1' ' A' ' 3' ' ' VAL . 17.8 p90 -79.69 156.89 27.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.092 178.05 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -137.98 -13.33 1.43 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.166 175.279 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.506 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 36.8 m-85 -131.86 179.34 6.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.985 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 38.5 ttpt -167.11 100.05 0.53 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.209 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.3 t -51.41 124.41 24.2 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HB2' HG22 ' A' ' 43' ' ' THR . 37.7 Cg_endo -65.68 -13.72 41.21 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.905 2.403 . . . . 0.0 112.21 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -95.85 -57.19 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.278 0.561 . . . . 0.0 111.074 177.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 57.3 m -86.27 -13.14 47.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.448 -171.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.9 mt 56.99 22.22 7.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.145 -176.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 9.3 p -85.03 118.59 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-O 121.612 0.72 . . . . 0.0 110.05 -179.213 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.512 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 45.4 mt-30 -73.65 99.03 2.99 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.48 177.03 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.506 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 7.4 p -94.21 152.9 18.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.949 -177.082 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 25.7 p -79.08 -29.27 43.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.697 -177.705 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.421 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 63.1 m -159.49 174.13 15.14 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.368 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.7 mt -60.63 -33.35 72.65 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 122.977 0.173 . . . . 0.0 111.095 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -50.27 -45.2 54.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.115 0.483 . . . . 0.0 110.983 177.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.0 m -81.45 -28.49 34.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.103 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.525 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 21.8 t -68.07 -22.7 64.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.548 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -108.76 0.42 20.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.937 0.399 . . . . 0.0 110.842 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.468 ' O ' HG23 ' A' ' 35' ' ' THR . 44.9 tttp -77.12 -36.52 55.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.097 0.475 . . . . 0.0 110.492 -177.449 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -75.64 -18.78 59.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.618 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.525 ' HE3' ' O ' ' A' ' 30' ' ' SER . 98.0 mttt -68.11 -25.31 65.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.915 -174.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.468 HG23 ' O ' ' A' ' 32' ' ' LYS . 5.0 t -86.72 -2.56 58.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.514 -174.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -129.58 -29.29 2.19 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.624 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -100.96 -10.42 20.6 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.761 -178.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 62.65 84.17 0.15 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -174.566 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.6 t -139.21 138.15 36.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.266 -174.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 m -99.97 -17.46 17.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.404 0.621 . . . . 0.0 110.137 174.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.29 56.55 3.66 Favored Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.507 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -154.62 152.68 30.28 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.401 HG22 ' HB2' ' A' ' 18' ' ' PRO . 1.2 p -73.79 154.0 39.73 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.918 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -74.18 77.18 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.595 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.41 -0.805 . . . . 0.0 109.976 178.937 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.874 -0.491 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -80.34 11.46 2.86 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.703 2.268 . . . . 0.0 112.624 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 61.26 34.49 18.62 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.103 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mmt -109.08 68.79 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.62 -178.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.25 147.27 40.42 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.208 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.414 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 71.9 t -123.82 137.6 56.36 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.183 -178.221 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.1 mt -77.74 152.12 33.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.64 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.526 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 39.7 t -48.58 133.65 16.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.38 177.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -72.25 -21.74 79.16 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.779 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.1 t -90.62 -72.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.405 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.463 ' SG ' HG13 ' A' ' 10' ' ' ILE . 22.5 p -83.41 -36.11 24.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.469 0.652 . . . . 0.0 110.984 -174.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.457 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 70.02 28.93 71.1 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.029 -0.987 . . . . 0.0 114.61 172.418 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.463 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.4 pp -113.68 -10.95 12.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 117.76 0.78 . . . . 0.0 112.101 -177.494 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.457 ' N ' HD13 ' A' ' 10' ' ' ILE . 22.8 ptmt -145.68 169.15 19.04 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.212 178.029 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -63.71 149.96 45.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 123.714 0.634 . . . . 0.0 110.737 -177.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.414 ' CD1' ' HB ' ' A' ' 3' ' ' VAL . 13.0 p90 -77.92 164.52 25.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.015 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -146.69 -19.04 0.42 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.634 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.5 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 22.8 m-85 -125.58 170.99 10.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.449 -178.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -154.83 102.64 2.37 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.5 t -49.2 130.18 16.58 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.612 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -62.32 -18.13 61.03 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.948 2.432 . . . . 0.0 112.586 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -99.92 -43.48 6.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.418 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.531 ' C ' ' H ' ' A' ' 22' ' ' VAL . 44.7 m -101.53 -13.69 17.79 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -168.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.469 ' N ' HD21 ' A' ' 21' ' ' LEU . 1.1 mm? 55.54 6.5 0.18 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.368 0.604 . . . . 0.0 112.605 -178.411 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.531 ' H ' ' C ' ' A' ' 20' ' ' CYS . 9.0 p -65.05 118.17 6.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.832 175.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.462 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 19.4 mt-30 -75.98 91.84 3.09 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.547 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.5 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 5.4 p -86.31 151.92 23.18 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.905 -176.648 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.526 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 28.3 p -81.66 -28.22 33.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.65 -176.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.44 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 58.6 m -159.67 168.07 26.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.785 -178.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.09 -29.54 65.54 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.963 0.411 . . . . 0.0 111.192 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -53.43 -41.22 65.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.987 175.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 18.6 m -85.57 -24.54 27.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.917 178.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.454 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 9.3 m -66.27 -28.19 68.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.4 178.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -97.92 -11.37 23.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' O ' HG21 ' A' ' 35' ' ' THR . 55.2 tptt -61.78 -41.75 98.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.133 0.492 . . . . 0.0 110.663 -176.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -78.7 -8.47 58.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.235 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.454 ' HE3' ' O ' ' A' ' 30' ' ' SER . 98.3 mttt -79.95 -34.2 38.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.977 0.418 . . . . 0.0 110.609 -174.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.406 HG21 ' O ' ' A' ' 32' ' ' LYS . 13.3 t -74.42 -20.83 59.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.843 -178.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -103.28 -35.26 8.5 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -115.02 10.34 16.21 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.766 -174.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 55.56 41.61 30.51 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.235 175.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t -89.81 150.15 22.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.995 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.6 p -99.98 -19.31 16.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.136 0.493 . . . . 0.0 110.876 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.6 29.76 59.15 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.839 -0.695 . . . . 0.0 111.912 -176.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -140.86 129.15 22.33 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -55.33 17.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.518 0.511 . . . . 0.0 111.776 -167.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -131.81 -58.91 0.96 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 174.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 C--O 1.245 0.841 0 CA-C-N 115.278 -0.873 . . . . 0.0 109.354 176.503 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.11 91.25 0.84 Allowed 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.446 2.097 . . . . 0.0 111.935 177.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -81.28 54.83 2.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.718 0.77 . . . . 0.0 110.564 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -147.98 -178.36 6.24 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.119 -0.946 . . . . 0.0 108.876 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.06 133.0 41.69 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 121.266 0.555 . . . . 0.0 109.711 175.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.447 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 99.1 t -108.55 127.6 64.85 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.792 -176.273 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.9 mt -74.91 149.03 39.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.179 174.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.502 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 49.3 t -47.53 129.27 13.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.796 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.29 -19.76 74.51 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.891 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 82.3 t -91.33 -69.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 122.679 -0.306 . . . . 0.0 111.575 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.514 ' SG ' HG13 ' A' ' 10' ' ' ILE . 26.6 p -88.29 -31.27 19.06 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.401 0.62 . . . . 0.0 111.396 -173.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 65.8 34.46 88.78 Favored Glycine 0 C--N 1.332 0.334 0 CA-C-N 115.055 -0.975 . . . . 0.0 114.645 172.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.514 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.5 pp -117.75 -3.41 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 117.715 0.757 . . . . 0.0 112.688 -178.41 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -161.2 172.91 15.89 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.666 178.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -63.48 151.2 41.92 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.673 0.608 . . . . 0.0 111.112 -175.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.447 ' CD1' ' HB ' ' A' ' 3' ' ' VAL . 13.1 p90 -79.28 160.62 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.771 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -140.72 -27.17 0.73 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.939 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.55 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 3.2 m-85 -111.31 174.72 5.73 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.269 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -160.81 102.87 1.32 Allowed 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.0 t -50.49 125.56 20.88 Favored Pre-proline 0 C--N 1.331 -0.225 0 O-C-N 123.391 0.432 . . . . 0.0 110.855 -177.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -63.57 -13.5 36.89 Favored 'Trans proline' 0 C--N 1.34 0.11 0 C-N-CA 122.802 2.335 . . . . 0.0 112.229 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -108.09 -44.87 4.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.791 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.5 m -90.13 -22.53 21.71 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.411 -176.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 mt 65.44 9.95 6.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.247 -175.402 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.6 p -73.67 121.1 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-O 121.671 0.748 . . . . 0.0 109.748 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -77.66 103.52 7.65 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.881 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.543 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 2.8 p -97.93 151.95 19.73 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.848 -175.423 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 32.0 p -74.39 -31.73 62.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.816 -177.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.55 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 73.9 m -160.93 170.98 19.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.991 -175.633 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.5 tp -60.48 -30.65 69.83 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.431 0.457 . . . . 0.0 110.736 -174.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.403 ' HG3' ' H ' ' A' ' 29' ' ' CYS . 3.0 pt-20 -52.94 -45.88 67.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.952 176.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.403 ' H ' ' HG3' ' A' ' 28' ' ' GLU . 11.9 m -79.22 -27.4 42.49 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.222 179.385 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.486 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 5.1 m -66.32 -30.42 70.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.357 177.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -98.52 -7.73 27.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.703 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.563 ' O ' HG21 ' A' ' 35' ' ' THR . 52.1 tttm -73.75 -42.51 61.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.087 -175.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -69.69 -9.96 56.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.156 0.503 . . . . 0.0 110.661 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.486 ' HE3' ' O ' ' A' ' 30' ' ' SER . 94.7 mttt -76.93 -17.46 58.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.957 -176.236 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.563 HG21 ' O ' ' A' ' 32' ' ' LYS . 7.2 t -86.73 -14.05 43.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.042 0.449 . . . . 0.0 110.84 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -108.67 -37.58 5.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -99.14 -13.42 19.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 0.0 111.296 -177.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 t30 66.69 15.88 10.24 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.703 0.764 . . . . 0.0 110.063 -177.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.4 t -59.0 138.76 57.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.328 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.9 t -80.41 -29.09 37.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.565 0.698 . . . . 0.0 110.234 176.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.45 ' HA3' ' HE2' ' A' ' 34' ' ' LYS . . . 69.05 33.28 74.02 Favored Glycine 0 C--N 1.332 0.322 0 CA-C-N 115.091 -0.959 . . . . 0.0 113.513 176.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -155.85 140.45 16.93 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.5 p -132.27 154.72 49.38 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 175.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -111.0 98.39 7.52 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.29 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.326 -174.796 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -73.0 167.56 27.05 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.362 2.041 . . . . 0.0 111.896 179.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -117.72 46.85 1.66 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.248 0.547 . . . . 0.0 110.167 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.8 mtm -71.19 -39.01 72.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.094 -178.091 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.78 168.29 10.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.993 178.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.465 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 84.4 t -128.13 136.76 59.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.076 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.6 mt -76.49 148.61 37.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.311 0.577 . . . . 0.0 110.732 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.523 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 41.9 t -52.27 127.58 22.49 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.885 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.9 -21.53 69.59 Favored Glycine 0 CA--C 1.517 0.211 0 CA-C-N 115.971 -0.558 . . . . 0.0 113.262 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.0 t -89.14 -64.21 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.626 ' SG ' HG13 ' A' ' 10' ' ' ILE . 26.8 p -95.47 -34.68 11.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.358 0.599 . . . . 0.0 111.121 -174.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 70.5 23.77 77.33 Favored Glycine 0 C--O 1.228 -0.27 0 CA-C-N 115.194 -0.912 . . . . 0.0 114.396 174.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.626 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.4 pp -106.44 -12.52 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 117.626 0.713 . . . . 0.0 112.275 -176.435 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.709 ' HE3' ' SG ' ' A' ' 25' ' ' CYS . 14.8 pttp -151.08 170.09 20.23 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 177.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -56.38 158.17 4.47 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.889 0.743 . . . . 0.0 111.989 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.465 ' CD1' ' HB ' ' A' ' 3' ' ' VAL . 14.0 p90 -85.45 163.26 18.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.037 178.066 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -146.6 -22.4 0.42 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.006 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.525 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 10.8 m-85 -121.55 166.29 14.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.237 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -149.44 104.38 3.37 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.0 t -53.84 125.83 48.43 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.996 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.88 -17.48 51.1 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.097 2.531 . . . . 0.0 112.891 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -101.77 -47.02 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.929 0.395 . . . . 0.0 111.505 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.5 m -91.16 -18.04 25.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.009 0.433 . . . . 0.0 111.701 -172.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt 59.7 16.97 5.89 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.292 -177.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 p -79.29 121.87 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 CA-C-O 121.567 0.699 . . . . 0.0 110.005 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.443 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 49.9 mt-30 -74.97 95.51 3.01 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.657 177.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.525 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 2.5 p -93.14 148.26 22.17 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.747 -176.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.709 ' SG ' ' HE3' ' A' ' 11' ' ' LYS . 31.0 p -75.86 -29.96 58.74 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.627 -176.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.447 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 67.4 m -159.37 169.78 23.23 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.689 -176.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -30.69 70.23 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -178.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -52.22 -41.13 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.389 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 11.4 m -84.26 -24.96 29.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.74 0.305 . . . . 0.0 110.99 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.459 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 12.2 m -66.81 -36.36 82.19 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 176.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -6.41 57.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.863 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.477 ' O ' HG23 ' A' ' 35' ' ' THR . 23.1 tptm -69.5 -45.07 69.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.61 -178.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -75.31 -13.51 60.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.373 . . . . 0.0 111.233 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.459 ' HE3' ' O ' ' A' ' 30' ' ' SER . 96.9 mttt -75.58 -25.77 57.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.707 0.289 . . . . 0.0 110.981 -173.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 32' ' ' LYS . 14.1 t -83.87 -1.63 54.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.337 -177.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -132.43 -2.3 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.643 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -128.51 -8.49 5.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.824 0.345 . . . . 0.0 110.791 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 67.26 14.16 9.63 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.972 -177.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.7 t -67.28 149.06 50.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.134 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.3 m -109.87 -12.83 14.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.362 0.601 . . . . 0.0 110.357 175.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.95 42.86 59.17 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.34 -0.846 . . . . 0.0 112.689 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -159.59 136.78 9.61 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -178.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.1 p -118.49 7.53 11.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.281 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.8 t60 69.26 -60.49 0.46 Allowed 'General case' 0 N--CA 1.466 0.362 0 O-C-N 123.792 0.683 . . . . 0.0 109.267 -171.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.3 t70 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.726 -0.654 . . . . 0.0 109.328 173.266 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.851 -0.5 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -82.48 26.07 0.65 Allowed 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 123.19 2.593 . . . . 0.0 112.101 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 58.27 35.36 24.86 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.052 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.7 mtt -85.62 114.34 22.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.663 178.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 74.6 172.6 0.28 Allowed 'General case' 0 C--O 1.237 0.406 0 O-C-N 124.07 0.857 . . . . 0.0 110.677 -177.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.596 ' CG1' ' HB3' ' A' ' 13' ' ' PHE . 1.3 p 170.65 -173.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 -169.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.425 ' N ' HG11 ' A' ' 3' ' ' VAL . 59.1 mt -123.27 134.13 54.12 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.159 161.746 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.474 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 42.2 t -41.8 125.62 2.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.076 -1.42 . . . . 0.0 112.444 -177.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.87 -19.07 65.07 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.428 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.0 t -91.75 -63.68 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.528 ' SG ' HG13 ' A' ' 10' ' ' ILE . 27.8 p -94.29 -22.78 18.15 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.315 0.579 . . . . 0.0 111.449 -173.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.04 34.77 89.2 Favored Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.029 -0.987 . . . . 0.0 114.824 173.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.528 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.6 pp -122.69 -10.38 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 118.302 1.051 . . . . 0.0 113.442 -177.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -154.21 175.81 13.03 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.572 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -60.94 155.56 19.6 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.689 0.757 . . . . 0.0 112.403 -178.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.596 ' HB3' ' CG1' ' A' ' 3' ' ' VAL . 7.9 p90 -83.98 155.39 22.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.819 176.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -139.01 -12.07 1.25 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.515 176.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.406 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 44.2 m-85 -132.37 172.38 12.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.318 -179.273 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -155.42 102.48 2.26 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.9 t -48.71 127.24 13.7 Favored Pre-proline 0 C--O 1.225 -0.226 0 O-C-N 123.35 0.406 . . . . 0.0 111.258 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.96 -16.04 53.44 Favored 'Trans proline' 0 CA--C 1.526 0.122 0 C-N-CA 122.616 2.211 . . . . 0.0 112.237 178.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.471 ' HD3' ' O ' ' A' ' 40' ' ' SER . 49.0 mtp180 -102.08 -47.6 4.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.482 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 64.4 m -89.6 -20.65 23.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.199 0.523 . . . . 0.0 111.47 -175.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt 61.19 18.87 9.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.447 -172.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.8 p -80.03 123.51 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-O 121.623 0.725 . . . . 0.0 110.241 -177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.464 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 45.2 mt-30 -73.92 102.28 4.05 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.568 -1.196 . . . . 0.0 109.687 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.406 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 1.5 p -100.49 148.64 24.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.732 -176.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.474 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 28.5 p -76.16 -31.26 58.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.959 -175.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -161.09 170.57 20.18 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.011 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.4 mt -56.89 -30.46 63.93 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.365 0.415 . . . . 0.0 111.244 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 10.8 tp10 -51.21 -43.77 61.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.851 176.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 19.0 m -86.29 -25.51 25.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.154 -179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.575 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 13.5 m -64.94 -33.64 76.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.898 0.38 . . . . 0.0 110.017 178.58 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 65.3 pttt -96.37 -10.93 26.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.183 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.7 tptp -62.31 -45.17 94.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.841 -176.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -77.19 -12.57 59.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.057 -177.523 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.575 ' HE3' ' O ' ' A' ' 30' ' ' SER . 96.1 mttt -74.77 -35.42 62.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.894 0.378 . . . . 0.0 110.525 -174.378 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.6 t -78.36 -11.57 59.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.548 -176.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -114.74 -22.12 9.85 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -176.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -121.95 7.82 9.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.645 0.26 . . . . 0.0 111.567 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 58.62 43.43 19.04 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.241 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 40' ' ' SER . 40.9 t -99.02 168.99 9.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.318 0.58 . . . . 0.0 110.941 -177.048 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.471 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 34.6 p -146.94 176.91 9.54 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.067 -0.969 . . . . 0.0 108.912 176.141 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.65 53.35 0.73 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.298 -0.953 . . . . 0.0 111.267 175.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -133.63 63.57 1.63 Allowed 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 120.993 0.425 . . . . 0.0 110.819 -174.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 22.9 p -84.7 -39.4 18.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.545 0.688 . . . . 0.0 109.538 175.384 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -112.42 67.75 0.66 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.931 175.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.8 t70 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.243 -0.884 . . . . 0.0 109.976 -177.984 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 111.661 -0.576 . . . . 0.0 111.661 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -78.86 35.48 0.56 Allowed 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.838 2.359 . . . . 0.0 112.679 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 51.5 53.55 12.59 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-O 121.497 0.665 . . . . 0.0 109.833 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.5 mmm -139.19 149.49 44.46 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.191 -177.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.47 ' O ' ' HB ' ' A' ' 3' ' ' VAL . . . -156.65 172.21 18.98 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -177.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.606 ' CG1' ' HB3' ' A' ' 13' ' ' PHE . 1.5 p 168.02 -177.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 -171.657 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.6 mt -118.15 133.83 55.55 Favored 'General case' 0 N--CA 1.438 -1.073 0 C-N-CA 119.824 -0.751 . . . . 0.0 109.339 160.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.526 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 41.7 t -40.85 127.06 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.425 -176.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.43 -25.59 68.74 Favored Glycine 0 CA--C 1.519 0.299 0 CA-C-N 115.584 -0.735 . . . . 0.0 113.514 -175.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.1 t -86.18 -63.52 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 117.027 0.414 . . . . 0.0 111.818 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.695 ' SG ' HG13 ' A' ' 10' ' ' ILE . 30.8 p -89.75 -12.74 38.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.959 0.409 . . . . 0.0 111.26 -174.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.68 18.13 80.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.142 -0.552 . . . . 0.0 114.057 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.695 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.8 pp -134.14 158.19 42.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-N 117.856 0.828 . . . . 0.0 110.843 -178.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER 55.57 160.25 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.205 1.402 . . . . 0.0 113.359 179.127 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.418 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 28.1 mt-10 -68.39 146.72 52.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.983 179.013 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.606 ' HB3' ' CG1' ' A' ' 3' ' ' VAL . 17.3 p90 -69.94 156.45 39.09 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.865 -176.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -132.59 -20.19 2.33 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.835 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.462 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 32.2 m-85 -128.14 179.69 5.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.223 -178.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -163.05 102.87 0.99 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 t -45.28 124.86 5.7 Favored Pre-proline 0 N--CA 1.465 0.295 0 O-C-N 123.472 0.482 . . . . 0.0 111.024 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.85 -15.92 41.24 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.987 2.458 . . . . 0.0 112.3 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -105.03 -58.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.449 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' CYS . . . . . 0.416 ' HB2' HG12 ' A' ' 22' ' ' VAL . 74.8 m -72.3 -26.09 61.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.176 0.512 . . . . 0.0 111.259 -176.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mt 65.61 14.95 9.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.414 -174.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.416 HG12 ' HB2' ' A' ' 20' ' ' CYS . 13.1 p -76.79 120.22 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-O 121.611 0.72 . . . . 0.0 109.455 178.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.439 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 22.9 mt-30 -76.5 101.23 5.54 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.181 179.17 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.462 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 4.0 p -92.9 159.74 15.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.253 -177.665 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . 0.526 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 27.4 p -86.05 -27.17 24.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.633 -177.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.402 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 18.8 m -156.42 177.54 11.34 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.59 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.79 -33.58 75.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.55 0.214 . . . . 0.0 110.704 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -52.55 -53.39 46.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.474 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 15.5 m -69.21 -25.52 64.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.502 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.431 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 41.8 m -70.61 -35.83 73.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.917 0.389 . . . . 0.0 110.329 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.446 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 22.1 pttp -94.84 -7.74 39.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.029 0.442 . . . . 0.0 110.757 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.474 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 17.4 mttm -63.39 -45.31 91.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.242 177.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -76.18 -17.29 59.61 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.085 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.446 ' HD2' ' HA ' ' A' ' 31' ' ' LYS . 95.4 mttt -75.65 -33.85 60.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.018 0.437 . . . . 0.0 110.439 -178.555 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . 0.46 HG22 ' O ' ' A' ' 32' ' ' LYS . 10.5 t -82.81 -2.45 54.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.615 -174.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -130.85 -32.5 1.65 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.762 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -103.15 0.78 32.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.266 0.555 . . . . 0.0 109.952 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 61.57 34.03 18.02 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.945 176.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 40' ' ' SER . 42.5 t -85.64 170.07 12.89 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.027 176.738 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.447 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 7.8 t -153.54 152.2 30.66 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 173.23 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.88 62.85 4.16 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.601 -178.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -129.33 96.79 4.39 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -178.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.01 95.44 0.71 Allowed 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.186 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -98.35 42.44 1.1 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.82 -176.584 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.527 -0.749 . . . . 0.0 109.891 179.59 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.45 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 61.5 t . . . . . 0 N--CA 1.45 -0.437 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.7 mt -80.59 155.12 27.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.122 0.487 . . . . 0.0 111.026 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.549 ' HB3' ' H ' ' A' ' 9' ' ' GLY . 52.1 t -56.16 124.36 17.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.31 176.229 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.425 ' HA3' HG23 ' A' ' 22' ' ' VAL . . . -63.11 -21.26 63.67 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.119 -0.562 . . . . 0.0 113.161 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.9 t -90.59 -63.65 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.845 0.323 . . . . 0.0 111.722 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.7 p -99.3 -30.59 12.15 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.403 -173.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.549 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 47.95 63.81 3.35 Favored Glycine 0 N--CA 1.463 0.435 0 N-CA-C 114.477 0.551 . . . . 0.0 114.477 175.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.429 HD12 ' HG2' ' A' ' 11' ' ' LYS . 1.9 pp -136.08 10.28 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.429 ' HG2' HD12 ' A' ' 10' ' ' ILE . 13.6 ptmm? -158.96 -66.72 0.08 Allowed 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.664 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.428 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 37.2 tt0 -177.31 175.26 1.5 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -175.128 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.45 ' CD1' ' HB ' ' A' ' 3' ' ' VAL . 15.7 p90 -107.55 165.49 11.38 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.792 0.33 . . . . 0.0 110.402 173.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -143.9 -19.0 0.58 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.244 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.569 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 31.6 m-85 -125.85 178.09 5.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.486 -178.052 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -160.4 104.13 1.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.7 t -53.69 130.96 55.96 Favored Pre-proline 0 CA--C 1.53 0.192 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.385 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.51 -19.06 67.07 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.142 2.562 . . . . 0.0 112.715 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.532 ' NH1' ' HA ' ' A' ' 39' ' ' CYS . 39.1 mtp180 -100.92 -56.11 2.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.226 0.536 . . . . 0.0 111.412 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.481 ' HB2' HG12 ' A' ' 22' ' ' VAL . 57.0 m -80.44 -18.46 48.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.277 -171.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 mt 60.38 13.04 3.78 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.752 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.481 HG12 ' HB2' ' A' ' 20' ' ' CYS . 12.6 p -75.36 121.92 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.551 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.535 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 25.0 mt-30 -82.4 92.93 7.1 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.814 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.569 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 21.7 p -85.78 157.0 20.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.026 -176.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.461 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 31.4 p -83.97 -24.35 30.67 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.481 -178.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.4 m -159.01 169.46 24.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.978 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.96 -28.85 69.28 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.411 0.444 . . . . 0.0 110.454 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.467 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . 36.1 tt0 -59.86 -38.29 81.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.316 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.5 m -80.63 -26.14 37.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.742 0.305 . . . . 0.0 110.584 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.414 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 53.3 m -68.18 -42.16 80.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.965 0.412 . . . . 0.0 110.308 175.725 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.467 ' HE3' ' HA ' ' A' ' 28' ' ' GLU . 21.5 pttp -81.31 -7.06 59.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.857 0.36 . . . . 0.0 110.726 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -76.14 -42.57 46.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -74.12 -19.7 60.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.028 0.442 . . . . 0.0 111.13 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 30' ' ' SER . 91.6 mttt -69.83 -32.04 70.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.475 -172.349 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.9 t -82.99 -5.67 59.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.57 -172.74 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -126.81 -30.07 2.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.307 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -102.95 -0.98 30.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.625 -176.188 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 61.24 70.27 0.62 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.981 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.532 ' HA ' ' NH1' ' A' ' 19' ' ' ARG . 49.3 t . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.551 -176.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.407 ' O ' ' HD1' ' A' ' 13' ' ' PHE . 97.1 t . . . . . 0 N--CA 1.45 -0.46 0 CA-C-O 120.73 0.3 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.517 HD23 ' H ' ' A' ' 12' ' ' GLU . 42.8 mt -80.36 155.18 27.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.117 0.484 . . . . 0.0 111.071 178.181 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 53.9 t -56.2 126.14 24.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.831 178.205 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.88 -16.84 66.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.142 -178.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.2 t -93.11 -59.03 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.6 p -107.33 -20.03 13.4 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.671 -174.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 44.75 59.97 4.06 Favored Glycine 0 N--CA 1.465 0.604 0 N-CA-C 114.992 0.757 . . . . 0.0 114.992 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -142.02 -7.23 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.753 ' HE2' ' SG ' ' A' ' 25' ' ' CYS . 54.1 pttt -152.72 44.83 0.68 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.529 -0.469 . . . . 0.0 112.228 -176.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.517 ' H ' HD23 ' A' ' 4' ' ' LEU . 2.6 mp0 60.66 -172.13 0.14 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.038 0.447 . . . . 0.0 111.217 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.408 ' CB ' ' HB3' ' A' ' 23' ' ' GLN . 16.9 p90 -116.0 164.18 14.82 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.27 176.34 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -141.71 -19.56 0.75 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.651 175.135 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.555 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 12.4 m-85 -122.6 179.39 4.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.181 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -164.57 95.48 0.73 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 175.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.9 t -47.4 126.96 9.93 Favored Pre-proline 0 N--CA 1.464 0.237 0 O-C-N 123.622 0.576 . . . . 0.0 111.185 -176.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.73 -18.41 60.27 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.89 2.393 . . . . 0.0 112.478 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -99.27 -54.08 3.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.175 0.512 . . . . 0.0 110.916 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.42 ' HB2' HG12 ' A' ' 22' ' ' VAL . 61.1 m -82.44 -21.77 35.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.851 -171.872 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.1 mt 62.32 15.9 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.977 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.42 HG12 ' HB2' ' A' ' 20' ' ' CYS . 11.2 p -79.69 122.24 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.475 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.546 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 48.0 mt-30 -77.99 93.01 4.38 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.071 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.555 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 13.1 p -86.09 153.65 21.94 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.871 -178.481 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.753 ' SG ' ' HE2' ' A' ' 11' ' ' LYS . 27.9 p -76.01 -32.11 59.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.094 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.52 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 49.8 m -160.14 174.91 13.57 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.143 -176.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -64.57 -29.29 70.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.758 0.313 . . . . 0.0 110.447 -176.957 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -59.64 -30.94 69.07 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.838 0.351 . . . . 0.0 111.008 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.459 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 4.6 m -88.57 -27.49 21.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.741 0.305 . . . . 0.0 110.777 176.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.413 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 57.8 m -64.66 -36.05 83.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.955 0.407 . . . . 0.0 109.978 175.175 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -84.57 -10.48 57.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.862 0.363 . . . . 0.0 110.747 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.459 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 23.0 tptp -69.97 -41.13 74.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.451 -177.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -77.61 -15.27 59.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.299 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 30' ' ' SER . 96.3 mttt -72.11 -19.86 61.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.342 -171.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.7 t -98.46 5.22 48.21 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.247 -176.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -135.84 -27.19 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.692 0.282 . . . . 0.0 111.577 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -104.73 -3.51 23.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.677 0.275 . . . . 0.0 110.806 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.1 t30 57.47 84.83 0.09 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.514 -176.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.321 -0.645 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.968 -172.562 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.42 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 78.5 t . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 120.675 0.274 . . . . 0.0 110.65 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.0 mt -73.1 140.73 47.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.212 173.447 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 49.8 t -45.35 120.41 2.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.35 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.62 -21.56 62.92 Favored Glycine 0 N--CA 1.453 -0.204 0 CA-C-N 116.046 -0.525 . . . . 0.0 113.156 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 81.6 t -87.76 -67.22 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -178.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.515 ' SG ' HG13 ' A' ' 10' ' ' ILE . 25.0 p -91.2 -30.42 16.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.287 0.565 . . . . 0.0 111.365 -172.351 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 66.7 34.68 88.16 Favored Glycine 0 C--N 1.332 0.315 0 CA-C-N 115.213 -0.903 . . . . 0.0 114.572 172.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.515 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.4 pp -117.65 -10.33 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 117.968 0.884 . . . . 0.0 112.63 -178.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.484 ' HG2' HD12 ' A' ' 10' ' ' ILE . 19.3 ptpt -155.41 171.51 19.77 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 177.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -65.43 161.49 19.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.473 0.654 . . . . 0.0 111.048 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CG ' ' HB3' ' A' ' 23' ' ' GLN . 25.5 p90 -85.12 166.37 16.68 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.887 -176.21 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -139.57 -15.11 1.07 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.942 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.477 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 38.8 m-85 -127.65 172.62 10.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.466 -178.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -156.27 99.34 1.92 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.0 t -50.6 131.46 27.23 Favored Pre-proline 0 N--CA 1.464 0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.997 -175.335 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -62.48 -21.17 72.45 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.417 2.745 . . . . 0.0 112.915 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -102.47 -52.5 3.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.132 0.491 . . . . 0.0 111.095 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.427 ' HB2' HG12 ' A' ' 22' ' ' VAL . 56.0 m -83.0 -21.76 33.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.656 -172.404 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.1 mt 64.28 5.84 2.73 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.173 -174.68 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.427 HG12 ' HB2' ' A' ' 20' ' ' CYS . 12.5 p -69.67 128.66 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 CA-C-O 121.762 0.791 . . . . 0.0 109.841 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.561 ' HB3' ' CG ' ' A' ' 13' ' ' PHE . 41.4 mt-30 -85.69 105.84 16.53 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 114.484 -1.234 . . . . 0.0 109.706 -178.141 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.477 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 3.4 p -101.79 148.5 25.21 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.05 -175.019 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.513 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 21.0 p -77.59 -24.54 49.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.958 -174.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.9 m -159.28 168.15 27.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.16 -178.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.423 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -61.62 -30.94 71.02 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.366 0.416 . . . . 0.0 110.13 -176.706 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.46 -47.22 73.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.676 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.43 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 51.3 m -75.53 -26.93 58.47 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.562 178.578 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.452 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 11.8 m -65.5 -26.29 67.85 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.953 0.406 . . . . 0.0 110.481 178.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -109.56 -2.06 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.124 0.488 . . . . 0.0 110.87 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 27.9 tptp -66.71 -42.1 86.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.28 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -74.51 -12.71 60.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.168 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HE3' ' O ' ' A' ' 30' ' ' SER . 98.6 mttt -74.71 -23.85 58.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.807 0.336 . . . . 0.0 110.935 -174.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 32' ' ' LYS . 10.8 t -94.91 -2.39 50.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.05 -176.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -121.59 -44.78 2.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.413 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -100.32 -0.48 38.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.833 -176.163 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 60.57 91.86 0.05 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.469 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.2 t . . . . . 0 C--N 1.317 -0.841 0 CA-C-O 121.124 0.488 . . . . 0.0 110.928 -175.747 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 N--CA 1.449 -0.519 0 CA-C-O 120.753 0.311 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.1 mt -79.43 153.64 29.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.922 175.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 41.8 t -49.84 129.8 20.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.38 178.807 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.13 -17.01 73.5 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.912 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.0 t -93.46 -70.86 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 122.836 -0.214 . . . . 0.0 111.456 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.553 ' SG ' HG13 ' A' ' 10' ' ' ILE . 25.5 p -88.04 -35.31 17.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.323 0.582 . . . . 0.0 110.904 -174.189 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.499 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 69.58 24.58 76.15 Favored Glycine 0 C--O 1.226 -0.376 0 CA-C-N 115.216 -0.902 . . . . 0.0 114.736 172.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.553 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.3 pp -102.16 -16.14 7.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 117.82 0.81 . . . . 0.0 111.819 -176.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.517 ' N ' HD12 ' A' ' 10' ' ' ILE . 6.4 ptpp? -146.98 177.67 8.96 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 175.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -61.98 167.42 3.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.579 0.704 . . . . 0.0 111.783 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.411 ' CG ' ' HB3' ' A' ' 23' ' ' GLN . 18.1 p90 -93.2 164.66 13.16 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.372 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -145.64 -23.31 0.47 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.831 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.565 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 17.8 m-85 -116.63 179.69 3.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.96 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -166.76 94.9 0.51 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.0 t -46.22 124.44 7.06 Favored Pre-proline 0 C--O 1.226 -0.153 0 O-C-N 123.766 0.666 . . . . 0.0 111.125 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -67.14 -10.15 27.58 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.556 2.171 . . . . 0.0 111.856 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' HE ' ' HB3' ' A' ' 19' ' ' ARG . 16.3 mtp180 -102.36 -47.68 4.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.406 177.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.408 ' HB2' HG12 ' A' ' 22' ' ' VAL . 80.3 m -92.19 -25.31 18.73 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -174.667 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.7 mt 70.58 6.34 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.127 -173.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.408 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.6 p -68.93 125.61 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-O 121.603 0.716 . . . . 0.0 110.149 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.411 ' HB3' ' CG ' ' A' ' 13' ' ' PHE . 45.5 mt-30 -79.21 96.27 5.86 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.954 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.565 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 8.2 p -91.84 154.4 18.92 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.062 -177.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 31.5 p -80.26 -31.45 38.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.449 -178.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.554 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 59.8 m -160.08 177.45 10.7 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 -176.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.67 -31.59 72.5 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.19 0.306 . . . . 0.0 111.409 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -53.59 -43.34 68.5 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.332 0.587 . . . . 0.0 111.803 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.448 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 19.4 m -83.7 -23.6 31.6 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.622 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.579 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 8.5 t -68.69 -29.72 68.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.59 177.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 17.5 ptpt -96.15 -13.61 23.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.625 178.311 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.549 ' O ' HG22 ' A' ' 35' ' ' THR . 51.2 tptt -63.03 -45.11 93.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.102 -174.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.6 p80 -74.7 -14.33 60.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.978 0.418 . . . . 0.0 110.733 -177.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.579 ' HE3' ' O ' ' A' ' 30' ' ' SER . 94.5 mttt -74.93 -32.83 61.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.073 0.463 . . . . 0.0 110.486 -177.619 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 32' ' ' LYS . 7.1 t -84.58 2.32 41.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.181 -175.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -126.39 -38.67 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.492 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -109.41 0.78 19.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -177.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.1 t30 58.38 87.51 0.07 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.982 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.1 t . . . . . 0 C--N 1.319 -0.721 0 CA-C-O 121.2 0.524 . . . . 0.0 111.04 -175.996 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.801 HG12 ' HD2' ' A' ' 13' ' ' PHE . 1.4 p . . . . . 0 N--CA 1.443 -0.776 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.451 ' N ' HG13 ' A' ' 3' ' ' VAL . 65.9 mt -116.76 129.23 55.98 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 162.425 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 41.5 t -36.01 120.44 0.62 Allowed 'General case' 0 C--O 1.222 -0.381 0 O-C-N 124.659 1.224 . . . . 0.0 112.538 -178.1 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.15 -23.41 52.46 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 113.948 -174.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.5 t -86.64 -62.69 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -178.012 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.457 ' SG ' HG13 ' A' ' 10' ' ' ILE . 21.6 p -97.77 -23.74 15.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.955 -173.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 50.5 66.95 2.11 Favored Glycine 0 C--O 1.235 0.192 0 CA-C-N 116.17 -0.468 . . . . 0.0 114.146 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.553 HD12 ' N ' ' A' ' 11' ' ' LYS . 1.9 pp -138.59 -24.47 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 177.017 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.553 ' N ' HD12 ' A' ' 10' ' ' ILE . 5.4 ptpp? -143.46 177.57 8.37 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.815 0.341 . . . . 0.0 111.138 177.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.472 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 31.7 tt0 -63.77 146.1 54.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.919 -177.766 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.801 ' HD2' HG12 ' A' ' 3' ' ' VAL . 17.9 p90 -70.98 155.4 40.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.929 -178.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -131.9 -19.04 2.63 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.729 178.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.529 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 26.3 m-85 -130.28 178.0 6.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.987 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -163.86 101.84 0.89 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.7 t -47.86 122.51 9.22 Favored Pre-proline 0 C--O 1.224 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -62.39 -14.84 41.37 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.784 2.322 . . . . 0.0 112.739 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -102.27 -47.59 4.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.687 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.462 ' HB2' HG12 ' A' ' 22' ' ' VAL . 73.5 m -82.3 -28.71 31.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.277 0.561 . . . . 0.0 111.144 -177.349 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.7 mt 66.67 13.89 9.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.527 -173.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.462 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.9 p -75.38 121.6 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-O 121.63 0.729 . . . . 0.0 109.616 177.43 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.526 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 36.1 mt-30 -78.46 100.56 6.9 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.05 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 7.2 p -93.85 160.64 14.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.018 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 22.1 p -92.21 -20.44 21.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -177.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.404 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 59.4 p -155.16 176.06 13.04 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.962 -178.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.93 -26.76 66.13 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 173.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -59.72 -48.38 81.91 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.279 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.3 m -74.61 -22.11 59.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.085 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.405 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 48.5 m -73.49 -33.76 64.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.816 0.341 . . . . 0.0 110.683 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 21.9 pttp -92.61 -10.49 37.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.149 0.499 . . . . 0.0 110.304 177.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.533 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 51.9 tptt -60.96 -43.42 98.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.467 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -79.25 -13.61 59.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.778 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.406 ' HD2' ' HA ' ' A' ' 31' ' ' LYS . 94.1 mttt -78.07 -39.65 41.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.117 0.484 . . . . 0.0 110.081 -178.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.1 t -75.78 -9.46 58.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.471 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 13.2 ptm180 -114.66 -39.29 3.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.689 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.15 9.28 21.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.613 0.244 . . . . 0.0 111.522 -173.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 57.41 38.26 28.24 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.513 174.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.0 t . . . . . 0 C--N 1.321 -0.631 0 CA-C-O 120.919 0.39 . . . . 0.0 110.412 178.56 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.74 HG12 ' HD1' ' A' ' 13' ' ' PHE . 1.4 p . . . . . 0 N--CA 1.442 -0.833 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.505 ' N ' HG13 ' A' ' 3' ' ' VAL . 45.6 mt -118.25 134.98 54.56 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.199 160.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 42.3 t -39.37 120.44 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 124.521 1.138 . . . . 0.0 111.804 -177.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.4 -19.31 40.03 Favored Glycine 0 CA--C 1.517 0.197 0 CA-C-N 115.686 -0.688 . . . . 0.0 113.908 -174.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.446 HG11 ' HD3' ' A' ' 32' ' ' LYS . 69.2 t -92.31 -63.05 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.682 ' SG ' HG13 ' A' ' 10' ' ' ILE . 25.9 p -96.29 -34.03 11.75 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.441 0.638 . . . . 0.0 111.635 -173.333 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.6 33.54 81.37 Favored Glycine 0 C--O 1.227 -0.334 0 CA-C-N 115.025 -0.989 . . . . 0.0 114.738 174.378 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.682 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.2 pp -105.23 -15.06 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 117.811 0.805 . . . . 0.0 112.184 -179.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.493 ' N ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -154.8 178.92 9.6 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.01 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.557 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 20.0 mp0 -62.63 171.63 1.95 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.714 0.768 . . . . 0.0 111.774 -177.676 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.74 ' HD1' HG12 ' A' ' 3' ' ' VAL . 11.9 p90 -90.34 154.87 19.37 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.894 177.231 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -133.87 -22.65 1.84 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.152 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.595 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 17.8 m-85 -118.15 175.9 5.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.879 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -164.1 99.38 0.85 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.3 t -51.25 130.36 32.39 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.155 -178.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -65.39 -18.46 60.21 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.937 2.425 . . . . 0.0 112.484 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -104.24 -54.49 2.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.311 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.46 ' HB2' HG12 ' A' ' 22' ' ' VAL . 67.6 m -75.33 -26.02 58.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.976 0.417 . . . . 0.0 111.232 -176.473 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.9 mt 67.63 4.89 4.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.777 -172.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.46 HG12 ' HB2' ' A' ' 20' ' ' CYS . 12.4 p -66.11 121.45 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-O 121.913 0.863 . . . . 0.0 110.083 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.582 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 39.3 mt-30 -79.42 95.43 5.76 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.753 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.538 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 8.6 p -90.41 155.43 18.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.026 -177.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 32.0 p -82.18 -31.82 30.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.255 -178.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.595 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 48.8 m -159.74 173.84 15.41 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.18 -177.53 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.8 -27.98 69.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.68 0.276 . . . . 0.0 111.011 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -53.89 -35.9 62.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.743 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.5 m -90.62 -28.05 18.66 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.379 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.526 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 47.5 m -64.66 -42.78 95.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.889 0.376 . . . . 0.0 110.02 176.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 64.2 pttt -77.1 -17.38 58.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.66 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.492 ' O ' HG22 ' A' ' 35' ' ' THR . 47.7 tttp -65.74 -40.89 92.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 -176.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -78.49 -17.13 56.7 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.545 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 30' ' ' SER . 66.5 mttm -78.11 -32.8 50.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.988 -178.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 32' ' ' LYS . 6.1 t -71.4 -15.33 62.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.873 0.368 . . . . 0.0 111.481 -176.423 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -116.8 -26.4 6.96 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -112.26 -7.66 14.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.176 0.512 . . . . 0.0 111.199 -175.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 59.41 29.62 19.21 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.329 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 28.0 t . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.44 -176.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.448 ' O ' ' HD1' ' A' ' 13' ' ' PHE . 57.6 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.47 ' CD1' ' H ' ' A' ' 12' ' ' GLU . 3.0 mm? -79.98 179.09 7.78 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.729 0.776 . . . . 0.0 110.9 176.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 45.5 t -64.73 132.79 50.59 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.53 175.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.415 ' HA3' ' CG2' ' A' ' 22' ' ' VAL . . . -68.82 -16.13 69.87 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.951 179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.0 t -96.36 -64.06 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 O-C-N 122.524 -0.398 . . . . 0.0 111.534 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.443 ' SG ' HG13 ' A' ' 10' ' ' ILE . 32.0 p -91.49 -7.12 51.35 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 120.122 -0.631 . . . . 0.0 111.775 -175.294 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . 62.49 29.82 74.59 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 114.652 0.621 . . . . 0.0 114.652 172.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.539 HD12 ' HG2' ' A' ' 11' ' ' LYS . 2.7 pp -148.39 170.09 2.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 117.644 0.722 . . . . 0.0 111.444 -176.513 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.539 ' HG2' HD12 ' A' ' 10' ' ' ILE . 11.2 ptmm? 52.55 27.07 4.73 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.447 1.499 . . . . 0.0 113.991 174.224 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.47 ' H ' ' CD1' ' A' ' 4' ' ' LEU . 34.7 mt-10 65.66 171.48 0.22 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.517 0.675 . . . . 0.0 111.488 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.448 ' HD1' ' O ' ' A' ' 3' ' ' VAL . 23.5 p90 -104.45 164.55 11.66 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.378 178.318 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -141.17 -28.31 0.68 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.209 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.595 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 11.1 m-85 -113.93 179.67 3.89 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.336 -178.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -163.37 104.32 0.96 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.336 175.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.6 t -51.68 121.86 19.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.612 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.8 -17.86 57.47 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.72 2.28 . . . . 0.0 112.515 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -96.59 -46.65 6.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.556 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.485 ' HB2' HG12 ' A' ' 22' ' ' VAL . 85.5 m -89.43 -23.51 22.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.115 0.483 . . . . 0.0 111.521 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.9 mt 64.6 17.09 10.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.412 -173.362 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.485 HG12 ' HB2' ' A' ' 20' ' ' CYS . 12.9 p -80.16 121.46 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.451 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 24.6 mt-30 -83.08 97.35 8.73 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.366 -177.158 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.436 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 3.5 p -90.45 159.36 16.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.138 -175.2 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.478 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 28.9 p -82.18 -31.34 30.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.942 0.401 . . . . 0.0 110.497 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.595 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 49.1 m -160.25 168.26 25.75 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.025 -177.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.6 mt -57.33 -29.28 63.84 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.861 0.362 . . . . 0.0 110.817 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.433 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 15.3 tp10 -51.56 -40.89 60.59 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.775 176.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.2 m -90.04 -24.18 21.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.859 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.468 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 8.9 m -65.82 -36.51 83.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.985 0.422 . . . . 0.0 110.146 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 65.1 pttt -87.97 -7.89 56.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.424 ' O ' HG22 ' A' ' 35' ' ' THR . 24.1 tptm -64.27 -45.23 88.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.756 -177.564 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -77.11 -15.05 59.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.85 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.468 ' HE3' ' O ' ' A' ' 30' ' ' SER . 94.4 mttt -76.23 -32.9 59.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.83 0.348 . . . . 0.0 110.8 -174.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 32' ' ' LYS . 11.5 t -76.5 -14.73 60.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.819 -175.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -122.15 -5.11 8.94 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -175.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -131.48 1.38 4.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.93 0.395 . . . . 0.0 111.311 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 61.0 28.94 18.7 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.009 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.2 t . . . . . 0 C--N 1.324 -0.517 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 177.465 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.805 HG12 ' HD1' ' A' ' 13' ' ' PHE . 1.6 p . . . . . 0 N--CA 1.439 -1.0 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.424 ' N ' HG13 ' A' ' 3' ' ' VAL . 56.2 mt -117.56 135.3 54.05 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 162.454 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 51.0 t -38.89 125.36 1.48 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.555 -1.202 . . . . 0.0 112.747 -174.625 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.92 -20.03 64.01 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.706 -0.679 . . . . 0.0 113.541 -176.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.3 t -93.41 -65.02 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.717 ' SG ' HG13 ' A' ' 10' ' ' ILE . 31.3 p -88.49 -12.02 44.15 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.456 -174.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.14 15.19 81.25 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 121.116 -0.564 . . . . 0.0 114.13 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.717 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.7 pp -132.24 154.53 40.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 117.76 0.78 . . . . 0.0 110.665 -177.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 10.9 ptmm? 56.0 168.31 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.881 1.272 . . . . 0.0 112.867 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -71.45 154.38 41.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.103 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.805 ' HD1' HG12 ' A' ' 3' ' ' VAL . 18.1 p90 -75.04 155.34 37.35 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.36 177.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -131.62 -25.03 2.17 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.791 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.522 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 21.2 m-85 -121.15 -178.45 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.132 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -164.57 96.8 0.76 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.9 t -49.74 126.52 18.42 Favored Pre-proline 0 C--N 1.333 -0.13 0 O-C-N 123.416 0.448 . . . . 0.0 111.46 -177.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -63.3 -16.85 57.08 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 123.03 2.487 . . . . 0.0 112.759 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -103.58 -47.2 4.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.485 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.554 ' HB2' HG12 ' A' ' 22' ' ' VAL . 81.7 m -85.63 -24.62 27.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.955 0.407 . . . . 0.0 111.72 -174.187 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.9 mt 64.02 12.87 7.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.454 -172.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.554 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.6 p -74.51 120.87 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.46 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.547 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 38.4 mt-30 -79.89 97.49 6.72 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.427 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.522 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 11.7 p -90.42 153.47 20.38 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.026 -176.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 20.5 p -84.4 -18.28 36.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.458 -177.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.2 p -162.68 178.4 8.54 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.801 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.499 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 87.9 mt -68.98 -22.73 64.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.153 0.502 . . . . 0.0 109.842 173.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.471 ' OE2' ' HE3' ' A' ' 31' ' ' LYS . 7.7 tp10 -60.79 -42.76 98.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.805 178.402 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.5 m -84.33 -25.37 29.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.981 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.499 ' OG ' ' HA ' ' A' ' 27' ' ' LEU . 65.9 p -71.35 -34.02 70.11 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.37 178.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.541 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 16.6 pttp -84.93 -14.76 46.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.066 0.46 . . . . 0.0 110.376 177.245 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -66.27 -34.05 77.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.452 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -83.91 -15.67 47.12 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.841 176.211 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HD2' ' HA ' ' A' ' 31' ' ' LYS . 59.8 mttm -77.9 -26.55 49.19 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.035 0.445 . . . . 0.0 110.661 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.7 t -89.27 6.97 37.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.956 -176.654 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -136.83 -35.12 0.72 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.714 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -107.02 -5.1 18.33 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.205 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 51.48 82.34 0.06 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.273 0.558 . . . . 0.0 110.641 -176.682 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.533 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 26.6 t . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.299 -174.264 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.6 t . . . . . 0 N--CA 1.449 -0.492 0 CA-C-O 120.65 0.262 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.82 145.26 48.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.629 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.546 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 53.3 t -45.13 123.68 4.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.603 177.576 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.82 -24.42 62.44 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.768 -0.651 . . . . 0.0 113.4 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.2 t -87.97 -67.1 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.819 0.309 . . . . 0.0 111.772 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.626 ' SG ' HG13 ' A' ' 10' ' ' ILE . 21.9 p -92.38 -29.98 16.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.221 0.534 . . . . 0.0 111.786 -171.341 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.42 32.75 85.2 Favored Glycine 0 C--N 1.331 0.274 0 CA-C-N 115.213 -0.903 . . . . 0.0 114.946 173.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.626 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.4 pp -108.74 -14.94 9.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 117.945 0.872 . . . . 0.0 111.853 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.479 ' N ' HD12 ' A' ' 10' ' ' ILE . 21.9 ptmt -150.35 173.98 13.38 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.98 163.7 3.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.725 0.774 . . . . 0.0 111.581 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.474 ' CG ' ' HB3' ' A' ' 23' ' ' GLN . 21.1 p90 -88.39 155.29 19.77 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.2 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -134.7 -17.7 1.94 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.963 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.542 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 24.5 m-85 -125.66 -179.15 4.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.16 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -168.09 99.57 0.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.4 t -50.62 127.69 25.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 123.56 0.538 . . . . 0.0 111.854 -177.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -60.72 -19.73 62.34 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.243 2.629 . . . . 0.0 112.873 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -99.66 -47.47 5.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.012 0.434 . . . . 0.0 111.369 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.459 ' HB2' HG12 ' A' ' 22' ' ' VAL . 64.5 m -89.83 -22.55 22.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.884 -171.242 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.8 mt 62.81 13.33 6.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.183 -176.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.459 HG12 ' HB2' ' A' ' 20' ' ' CYS . 11.1 p -78.4 120.95 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.474 ' HB3' ' CG ' ' A' ' 13' ' ' PHE . 25.4 mt-30 -79.94 100.55 8.14 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.113 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.542 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 11.4 p -92.22 160.55 15.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.915 -176.292 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 23.9 p -89.89 -20.22 23.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 -178.361 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.9 p -158.11 175.51 13.7 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.718 -177.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.92 -25.65 67.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.062 172.544 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.76 -48.72 80.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.116 0.484 . . . . 0.0 110.427 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.3 m -75.79 -20.78 57.96 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.99 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.2 m -74.39 -37.96 63.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.452 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -84.45 -13.67 51.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.94 0.4 . . . . 0.0 110.198 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.414 ' O ' HG22 ' A' ' 35' ' ' THR . 27.2 tptp -60.74 -48.67 80.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.905 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -74.2 -11.58 60.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.198 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -76.92 -27.01 54.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.748 0.309 . . . . 0.0 111.074 -173.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 32' ' ' LYS . 12.7 t -85.82 1.13 50.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.043 0.449 . . . . 0.0 111.034 -177.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -128.58 -30.55 2.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.498 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -99.76 -8.09 24.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.112 0.482 . . . . 0.0 110.48 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 61.85 27.51 16.77 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.893 0.854 . . . . 0.0 110.496 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.1 t . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 114.312 -1.313 . . . . 0.0 109.165 176.466 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.709 HG12 ' HD1' ' A' ' 13' ' ' PHE . 1.5 p . . . . . 0 N--CA 1.445 -0.678 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.528 ' N ' HG13 ' A' ' 3' ' ' VAL . 42.0 mt -118.74 129.61 55.35 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.406 161.385 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.591 ' HB3' ' H ' ' A' ' 9' ' ' GLY . 50.3 t -35.67 122.26 0.65 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 114.352 -1.294 . . . . 0.0 112.035 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.85 -15.45 55.12 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 121.293 -0.479 . . . . 0.0 113.275 -176.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -92.58 -62.04 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 122.797 -0.237 . . . . 0.0 111.473 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.7 p -103.83 -34.04 8.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.046 -174.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.591 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 51.17 70.14 0.94 Allowed Glycine 0 N--CA 1.46 0.275 0 CA-C-N 116.052 -0.522 . . . . 0.0 114.165 176.449 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.446 HD12 ' HG2' ' A' ' 11' ' ' LYS . 1.9 pp -142.36 14.7 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.5 ' HG3' ' H ' ' A' ' 12' ' ' GLU . 19.6 ptmt -162.51 -68.89 0.05 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.505 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 31.0 tt0 178.13 168.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -176.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.709 ' HD1' HG12 ' A' ' 3' ' ' VAL . 6.0 p90 -95.89 152.65 18.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.074 0.464 . . . . 0.0 110.587 174.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -132.28 -18.94 2.52 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.463 174.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.467 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 27.0 m-85 -124.89 172.57 9.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.643 -178.267 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -154.84 107.3 2.75 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 174.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.9 t -49.7 130.02 20.24 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.347 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.52 -12.23 31.12 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.82 2.346 . . . . 0.0 112.047 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.468 ' HD3' ' SG ' ' A' ' 39' ' ' CYS . 67.0 mtp180 -102.92 -49.84 3.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.008 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.407 ' HB2' HG12 ' A' ' 22' ' ' VAL . 58.2 m -91.53 -20.69 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.624 -174.214 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.2 mt 63.22 17.13 9.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.983 -175.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.407 HG12 ' HB2' ' A' ' 20' ' ' CYS . 12.8 p -80.56 120.89 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-O 121.671 0.748 . . . . 0.0 110.131 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.509 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 44.0 mt-30 -68.48 109.08 3.54 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.878 177.515 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 p -108.51 151.34 26.21 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.406 -176.244 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.0 p -79.76 -31.98 40.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.005 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.467 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 75.1 m -157.47 168.64 26.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.57 -177.273 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.3 mt -57.11 -32.83 66.71 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.398 0.436 . . . . 0.0 111.474 -177.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -53.3 -45.39 68.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.92 0.391 . . . . 0.0 110.552 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.44 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 32.8 m -78.88 -28.18 44.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.789 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.551 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 13.9 m -67.41 -22.82 65.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.982 0.42 . . . . 0.0 110.378 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -111.62 8.88 21.03 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.051 0.453 . . . . 0.0 110.662 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.44 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 27.1 tptp -80.91 -41.31 23.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.263 0.554 . . . . 0.0 110.164 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -73.75 -14.95 61.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.344 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HE3' ' O ' ' A' ' 30' ' ' SER . 98.6 mttt -67.88 -20.99 65.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 111.23 -171.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 32' ' ' LYS . 11.7 t -81.13 -21.0 40.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.348 -177.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.452 ' HG3' ' OD1' ' A' ' 37' ' ' ASP . 21.7 ptt180 -118.6 -18.19 9.11 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.745 0.307 . . . . 0.0 111.726 -175.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.452 ' OD1' ' HG3' ' A' ' 36' ' ' ARG . 1.2 m-20 -105.38 -3.25 22.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.062 0.458 . . . . 0.0 110.061 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 56.26 47.56 19.0 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.062 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.468 ' SG ' ' HD3' ' A' ' 19' ' ' ARG . 45.6 t . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 114.865 -1.062 . . . . 0.0 110.512 -173.354 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.483 ' O ' ' HD1' ' A' ' 13' ' ' PHE . 60.7 t . . . . . 0 N--CA 1.448 -0.553 0 CA-C-O 121.068 0.461 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.424 HD23 ' H ' ' A' ' 12' ' ' GLU . 49.1 mt -78.8 148.81 32.78 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.022 176.468 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.542 ' HB3' ' H ' ' A' ' 9' ' ' GLY . 46.8 t -43.27 123.88 3.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.179 177.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.8 -22.11 56.62 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 121.091 -0.576 . . . . 0.0 113.504 -177.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 29' ' ' CYS . 89.4 t -92.09 -65.09 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 122.559 -0.377 . . . . 0.0 111.809 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.5 p -97.48 -26.36 14.86 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.054 -174.336 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.542 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 46.6 59.45 5.38 Favored Glycine 0 N--CA 1.459 0.218 0 N-CA-C 114.607 0.603 . . . . 0.0 114.607 176.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.49 HD12 ' HG2' ' A' ' 11' ' ' LYS . 2.0 pp -140.67 -11.54 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.49 ' HG2' HD12 ' A' ' 10' ' ' ILE . 5.9 ptpp? -142.05 41.0 1.66 Allowed 'General case' 0 N--CA 1.466 0.363 0 O-C-N 122.049 -0.407 . . . . 0.0 111.618 -178.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.545 ' HG2' ' H ' ' A' ' 13' ' ' PHE . 37.6 tt0 63.75 178.71 0.16 Allowed 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 23' ' ' GLN . 21.2 p90 -107.64 162.1 14.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.85 0.357 . . . . 0.0 110.384 174.375 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -139.39 -30.15 0.73 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.281 178.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.617 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 6.4 m-85 -108.69 -175.75 2.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.38 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -165.64 100.26 0.69 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 43.0 t -52.99 126.44 43.13 Favored Pre-proline 0 N--CA 1.463 0.196 0 CA-C-O 120.724 0.297 . . . . 0.0 111.284 -177.102 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 17' ' ' CYS . 10.0 Cg_endo -54.78 -27.03 50.45 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.406 2.737 . . . . 0.0 112.953 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -100.82 -53.85 2.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.804 0.335 . . . . 0.0 111.68 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.462 ' HB2' HG12 ' A' ' 22' ' ' VAL . 63.7 m -76.28 -24.94 54.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.608 -173.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mt 65.42 4.94 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.986 -174.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.462 HG12 ' HB2' ' A' ' 20' ' ' CYS . 12.0 p -69.85 128.92 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 177.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.561 ' HB3' ' CD2' ' A' ' 13' ' ' PHE . 22.8 mt-30 -89.54 98.61 11.87 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.389 -175.526 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.528 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 20.2 p -89.39 162.8 15.59 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.837 -177.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.8 p -89.11 -26.17 21.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.845 0.355 . . . . 0.0 110.456 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.617 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 66.7 m -161.07 173.75 14.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.265 -177.446 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.95 -30.83 71.18 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.237 0.335 . . . . 0.0 111.18 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.456 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 1.4 tm-20 -54.09 -41.19 67.98 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.178 0.513 . . . . 0.0 110.192 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.593 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 33.4 m -84.68 -23.3 29.47 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.338 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.401 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 40.6 m -69.84 -34.44 73.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.881 0.372 . . . . 0.0 110.401 177.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.456 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 63.1 pttt -90.85 -2.55 57.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.222 0.534 . . . . 0.0 110.302 178.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.593 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 4.0 tptm -74.17 -41.75 60.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.452 -178.775 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -77.6 -15.2 59.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.786 -177.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.401 ' HE3' ' O ' ' A' ' 30' ' ' SER . 97.3 mttt -72.17 -19.64 61.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.029 0.442 . . . . 0.0 110.74 -173.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 32' ' ' LYS . 13.6 t -100.15 2.31 42.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.124 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -134.2 -27.57 1.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -109.49 -3.07 17.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.549 0.214 . . . . 0.0 110.925 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 61.81 95.13 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.755 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.7 t . . . . . 0 C--N 1.318 -0.769 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.056 -174.121 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 71.6 mt -75.25 145.38 41.97 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.372 176.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 41.9 t -46.68 123.71 5.32 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.225 176.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.81 -22.23 64.11 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 121.219 -0.515 . . . . 0.0 113.429 -176.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 79.1 t -88.74 -66.6 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 122.719 -0.283 . . . . 0.0 111.587 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.544 ' SG ' HG13 ' A' ' 10' ' ' ILE . 19.8 p -91.29 -33.82 15.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.493 -174.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.96 54.12 37.51 Favored Glycine 0 C--O 1.235 0.191 0 C-N-CA 121.411 -0.423 . . . . 0.0 113.79 177.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.544 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.3 pp -127.74 -1.49 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.825 0.345 . . . . 0.0 111.514 176.627 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -165.18 172.77 12.1 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.339 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -61.39 147.75 43.88 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 123.607 0.567 . . . . 0.0 110.712 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -78.04 159.23 28.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.505 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -137.07 -14.66 1.55 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.282 0.563 . . . . 0.0 110.582 177.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.516 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 38.5 m-85 -124.67 175.76 7.0 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.571 -177.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 tttt -159.84 99.95 1.41 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 t -52.82 129.05 46.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 111.652 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.23 -23.93 72.45 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.109 2.539 . . . . 0.0 112.552 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -95.44 -56.23 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.281 0.562 . . . . 0.0 111.195 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.436 ' HB2' HG12 ' A' ' 22' ' ' VAL . 57.4 m -81.63 -22.91 37.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.605 -171.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 mt 62.3 15.93 8.05 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.836 -173.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.436 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.3 p -77.23 127.28 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.95 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 177.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 66.9 mt-30 -87.14 96.34 10.28 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.887 -177.157 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 15.0 p -88.93 159.38 17.68 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.873 -177.691 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 24.6 p -87.61 -25.34 23.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.315 -178.287 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.456 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 68.0 m -159.71 168.09 26.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.315 -177.077 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.47 -35.83 70.67 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.422 0.452 . . . . 0.0 111.222 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -56.68 -30.72 63.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.508 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.461 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 33.4 m -89.1 -26.22 21.47 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 120.786 0.327 . . . . 0.0 110.873 177.54 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.5 m -69.03 -33.96 74.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.063 0.458 . . . . 0.0 110.328 176.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -85.29 -13.94 48.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.634 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 17.4 tptp -66.94 -37.74 84.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.497 -176.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -83.25 -13.02 56.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.181 -177.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -72.74 -25.48 61.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.934 0.397 . . . . 0.0 110.978 -173.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.0 t -82.4 -0.42 45.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.183 -177.56 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -130.11 -15.61 3.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.685 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -110.8 -8.25 14.55 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.368 -177.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 62.58 27.31 16.15 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 122.604 1.192 . . . . 0.0 108.857 -173.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.2 t . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.076 -176.642 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.544 ' O ' ' HD1' ' A' ' 13' ' ' PHE . 50.4 t . . . . . 0 CA--C 1.508 -0.642 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.693 HD22 ' HA ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -96.12 169.52 9.9 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.749 -0.78 . . . . 0.0 110.625 -175.196 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 34.5 t -48.94 128.75 16.43 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.794 -1.093 . . . . 0.0 111.405 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.42 -16.95 68.0 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.15 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.0 t -93.08 -59.3 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.653 ' SG ' HG13 ' A' ' 10' ' ' ILE . 20.4 p -107.24 -10.67 15.77 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 120.406 -0.517 . . . . 0.0 112.279 -174.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.455 ' O ' HD12 ' A' ' 4' ' ' LEU . . . 56.74 35.75 69.06 Favored Glycine 0 N--CA 1.464 0.521 0 CA-C-N 115.806 -0.633 . . . . 0.0 114.647 176.467 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.653 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.8 pp -138.25 162.13 30.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 117.141 0.471 . . . . 0.0 110.55 175.3 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 18.5 ptmt 59.44 20.29 8.66 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.956 1.303 . . . . 0.0 112.793 173.833 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.693 ' HA ' HD22 ' A' ' 4' ' ' LEU . 38.1 mt-10 65.12 152.53 0.05 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 122.093 0.949 . . . . 0.0 112.564 178.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.544 ' HD1' ' O ' ' A' ' 3' ' ' VAL . 8.4 p90 -77.77 154.41 31.98 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.428 175.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.419 ' NZ ' ' HB2' ' A' ' 14' ' ' LYS . 3.8 ttmp? -137.21 -27.6 0.96 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.339 0.59 . . . . 0.0 110.122 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.472 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 11.9 m-85 -114.05 -176.05 2.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.396 -177.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 35.5 ttpt -166.53 104.68 0.61 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.318 176.43 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 t -50.41 126.54 22.26 Favored Pre-proline 0 N--CA 1.462 0.17 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.667 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.0 -13.54 38.07 Favored 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 122.759 2.306 . . . . 0.0 112.62 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -106.37 -55.62 2.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.204 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.475 ' HB2' HG12 ' A' ' 22' ' ' VAL . 80.8 m -73.48 -25.07 60.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.865 0.364 . . . . 0.0 111.397 -176.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mt 64.74 13.9 8.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.482 -173.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.475 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.6 p -74.74 121.68 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.019 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.525 ' HB3' ' CG ' ' A' ' 13' ' ' PHE . 88.2 mt-30 -77.58 96.12 4.71 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.172 178.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.472 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 1.6 p -90.0 155.54 19.02 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.025 -177.055 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 30.2 p -82.18 -28.23 32.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.144 0.497 . . . . 0.0 110.508 -178.162 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.9 p -148.67 174.82 11.76 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.434 -176.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.445 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -69.39 -24.64 63.89 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 174.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -62.75 -50.83 69.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.534 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.2 m -69.23 -24.09 63.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.755 0.312 . . . . 0.0 110.688 177.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.49 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 37.5 m -70.71 -24.24 62.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.802 179.2 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -105.07 -7.44 19.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.966 0.412 . . . . 0.0 110.801 178.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -67.91 -42.43 81.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.513 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -72.42 -17.88 61.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HE3' ' O ' ' A' ' 30' ' ' SER . 96.7 mttt -72.2 -33.46 67.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.99 0.424 . . . . 0.0 110.604 -176.096 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 t -89.91 2.55 54.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.42 -172.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -130.14 -35.6 1.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.521 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -104.61 -6.24 20.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.897 0.379 . . . . 0.0 110.68 -175.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.7 t30 63.04 88.46 0.1 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.78 -177.337 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.144 -179.165 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.698 HG12 ' HD1' ' A' ' 13' ' ' PHE . 1.1 p . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.543 ' N ' HG13 ' A' ' 3' ' ' VAL . 57.2 mt -116.52 132.62 56.63 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 119.4 -0.92 . . . . 0.0 110.676 165.533 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 53.4 t -44.87 124.62 4.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.231 -1.349 . . . . 0.0 111.837 -178.389 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.59 -27.42 66.1 Favored Glycine 0 N--CA 1.452 -0.234 0 CA-C-N 115.797 -0.638 . . . . 0.0 113.345 -177.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 84.4 t -84.92 -65.43 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 111.792 0.294 . . . . 0.0 111.792 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.4 p -95.81 -31.85 12.97 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.223 -174.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.43 70.93 0.76 Allowed Glycine 0 N--CA 1.46 0.243 0 CA-C-N 116.32 -0.4 . . . . 0.0 113.979 177.413 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.54 HD12 ' N ' ' A' ' 11' ' ' LYS . 1.7 pp -138.25 -27.56 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 178.294 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.54 ' N ' HD12 ' A' ' 10' ' ' ILE . 22.2 ptmt -125.4 -64.83 1.05 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -175.656 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.565 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 38.1 tt0 176.7 167.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 -170.022 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.698 ' HD1' HG12 ' A' ' 3' ' ' VAL . 7.0 p90 -94.92 157.99 15.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.044 0.45 . . . . 0.0 110.95 174.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -140.32 -19.57 0.87 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.489 176.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.505 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 19.9 m-85 -126.85 -178.96 4.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.843 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 36.7 ttpt -166.42 97.63 0.59 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 178.003 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.7 t -45.21 125.18 5.63 Favored Pre-proline 0 N--CA 1.463 0.206 0 O-C-N 123.766 0.666 . . . . 0.0 111.835 -176.745 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -63.57 -13.54 37.13 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.959 2.439 . . . . 0.0 112.625 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.408 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 68.9 mtt180 -98.45 -59.37 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.247 0.546 . . . . 0.0 110.698 175.059 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.434 ' HB2' HG12 ' A' ' 22' ' ' VAL . 58.8 m -82.02 -20.7 37.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.914 -170.056 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mt 63.07 16.73 9.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.762 -176.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 10.0 p -78.05 125.43 37.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-O 121.432 0.634 . . . . 0.0 109.675 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.531 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 48.3 mt-30 -79.51 94.96 5.7 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.011 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.505 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 12.3 p -90.5 156.13 18.4 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.852 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.8 p -86.54 -24.54 25.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.713 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.43 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 55.2 m -159.28 169.9 23.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.474 -177.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.2 mt -58.53 -32.79 69.18 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.339 0.399 . . . . 0.0 110.464 177.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -48.31 -49.86 32.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.774 174.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.532 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 24.6 m -79.49 -25.03 41.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.277 -178.462 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.413 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 61.0 m -67.52 -38.75 84.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.053 0.454 . . . . 0.0 110.414 178.247 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.465 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 63.8 pttt -87.01 -7.56 58.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.668 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.532 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 14.3 tptt -66.16 -45.76 79.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.653 -177.553 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -74.88 -15.07 60.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.04 0.448 . . . . 0.0 110.668 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HD2' ' HA ' ' A' ' 31' ' ' LYS . 91.0 mttt -76.87 -27.04 54.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.934 0.397 . . . . 0.0 110.594 -178.355 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 32' ' ' LYS . 6.0 t -94.29 -1.62 53.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.257 -175.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 11.9 ptp180 -128.62 -30.11 2.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.834 -177.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -115.77 -3.42 12.24 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.241 -0.287 . . . . 0.0 111.209 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.5 t30 61.93 104.48 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.998 0.811 . . . . 0.0 111.399 -177.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.408 ' SG ' ' HD2' ' A' ' 19' ' ' ARG . 44.8 t . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.321 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.74 HG12 ' HD1' ' A' ' 13' ' ' PHE . 1.0 OUTLIER . . . . . 0 N--CA 1.441 -0.877 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.46 ' N ' HG13 ' A' ' 3' ' ' VAL . 51.3 mt -119.93 129.07 54.16 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 119.734 -0.786 . . . . 0.0 109.752 163.348 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.509 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 53.6 t -35.64 118.7 0.5 Allowed 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 114.26 -1.336 . . . . 0.0 112.319 -177.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.8 -21.56 51.68 Favored Glycine 0 CA--C 1.518 0.249 0 CA-C-N 115.938 -0.574 . . . . 0.0 113.42 -176.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.9 t -88.94 -63.02 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -177.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.51 ' SG ' HG13 ' A' ' 10' ' ' ILE . 27.0 p -96.67 -22.01 17.26 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.463 0.649 . . . . 0.0 111.643 -173.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 59.46 39.11 94.47 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 114.915 -1.038 . . . . 0.0 115.062 173.021 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.519 HD12 ' HG2' ' A' ' 11' ' ' LYS . 2.5 pp -123.53 -14.64 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 118.095 0.947 . . . . 0.0 112.974 -178.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.519 ' HG2' HD12 ' A' ' 10' ' ' ILE . 21.2 ptmt -147.99 175.4 11.02 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.316 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -64.23 155.87 30.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.677 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.74 ' HD1' HG12 ' A' ' 3' ' ' VAL . 17.8 p90 -79.69 156.89 27.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.092 178.05 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -137.98 -13.33 1.43 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.166 175.279 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.529 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 36.8 m-85 -131.86 179.34 6.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.985 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 38.5 ttpt -167.11 100.05 0.53 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.209 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.3 t -51.41 124.41 24.2 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.68 -13.72 41.21 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.905 2.403 . . . . 0.0 112.21 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -95.85 -57.19 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.278 0.561 . . . . 0.0 111.074 177.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.409 ' HB2' HG12 ' A' ' 22' ' ' VAL . 57.3 m -86.27 -13.14 47.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.448 -171.247 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.9 mt 56.99 22.22 7.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.145 -176.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 9.3 p -85.03 118.59 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-O 121.612 0.72 . . . . 0.0 110.05 -179.213 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.529 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 45.4 mt-30 -73.65 99.03 2.99 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.48 177.03 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 7.4 p -94.21 152.9 18.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.949 -177.082 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.509 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 25.7 p -79.08 -29.27 43.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.697 -177.705 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.427 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 63.1 m -159.49 174.13 15.14 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.368 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.7 mt -60.63 -33.35 72.65 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 122.977 0.173 . . . . 0.0 111.095 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -50.27 -45.2 54.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.115 0.483 . . . . 0.0 110.983 177.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.0 m -81.45 -28.49 34.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.103 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.531 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 21.8 t -68.07 -22.7 64.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.548 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -108.76 0.42 20.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.937 0.399 . . . . 0.0 110.842 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.476 ' O ' HG22 ' A' ' 35' ' ' THR . 44.9 tttp -77.12 -36.52 55.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.097 0.475 . . . . 0.0 110.492 -177.449 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -75.64 -18.78 59.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.618 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.531 ' HE3' ' O ' ' A' ' 30' ' ' SER . 98.0 mttt -68.11 -25.31 65.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.915 -174.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 32' ' ' LYS . 5.0 t -86.72 -2.56 58.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.514 -174.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -129.58 -29.29 2.19 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.624 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -100.96 -10.42 20.6 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.761 -178.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 62.65 84.17 0.15 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -174.566 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.266 -174.05 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.426 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 71.9 t . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.1 mt -77.74 152.12 33.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.64 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.547 ' HB3' ' H ' ' A' ' 9' ' ' GLY . 39.7 t -48.58 133.65 16.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.38 177.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . 0.403 ' HA3' HG23 ' A' ' 22' ' ' VAL . . . -72.25 -21.74 79.16 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.779 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.1 t -90.62 -72.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.405 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.464 ' SG ' HG13 ' A' ' 10' ' ' ILE . 22.5 p -83.41 -36.11 24.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.469 0.652 . . . . 0.0 110.984 -174.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.547 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 70.02 28.93 71.1 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.029 -0.987 . . . . 0.0 114.61 172.418 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.464 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.4 pp -113.68 -10.95 12.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 117.76 0.78 . . . . 0.0 112.101 -177.494 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.441 ' N ' HD12 ' A' ' 10' ' ' ILE . 22.8 ptmt -145.68 169.15 19.04 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.212 178.029 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -63.71 149.96 45.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 123.714 0.634 . . . . 0.0 110.737 -177.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.426 ' CD1' ' HB ' ' A' ' 3' ' ' VAL . 13.0 p90 -77.92 164.52 25.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.015 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -146.69 -19.04 0.42 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.634 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.52 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 22.8 m-85 -125.58 170.99 10.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.449 -178.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -154.83 102.64 2.37 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.5 t -49.2 130.18 16.58 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.612 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -62.32 -18.13 61.03 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.948 2.432 . . . . 0.0 112.586 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -99.92 -43.48 6.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.418 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.502 ' HB2' HG12 ' A' ' 22' ' ' VAL . 44.7 m -101.53 -13.69 17.79 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -168.768 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 21' ' ' LEU . 1.1 mm? 55.54 6.5 0.18 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.368 0.604 . . . . 0.0 112.605 -178.411 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.502 HG12 ' HB2' ' A' ' 20' ' ' CYS . 9.0 p -65.05 118.17 6.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.832 175.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.482 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 64.6 mt-30 -75.98 91.84 3.09 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.547 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.52 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 5.4 p -86.31 151.92 23.18 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.905 -176.648 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 28.3 p -81.66 -28.22 33.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.65 -176.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.438 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 58.6 m -159.67 168.07 26.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.785 -178.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.09 -29.54 65.54 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.963 0.411 . . . . 0.0 111.192 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -53.43 -41.22 65.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.987 175.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 18.6 m -85.57 -24.54 27.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.917 178.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.462 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 9.3 m -66.27 -28.19 68.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.4 178.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -97.92 -11.37 23.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.406 ' O ' HG22 ' A' ' 35' ' ' THR . 55.2 tptt -61.78 -41.75 98.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.133 0.492 . . . . 0.0 110.663 -176.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -78.7 -8.47 58.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.235 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.462 ' HE3' ' O ' ' A' ' 30' ' ' SER . 98.3 mttt -79.95 -34.2 38.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.977 0.418 . . . . 0.0 110.609 -174.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 32' ' ' LYS . 13.3 t -74.42 -20.83 59.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.843 -178.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -103.28 -35.26 8.5 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -115.02 10.34 16.21 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.766 -174.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 55.56 41.61 30.51 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.235 175.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.995 179.022 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.456 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 99.1 t . . . . . 0 N--CA 1.447 -0.588 0 CA-C-O 120.659 0.266 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.9 mt -74.91 149.03 39.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.179 174.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.515 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 49.3 t -47.53 129.27 13.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.796 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.29 -19.76 74.51 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.891 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 82.3 t -91.33 -69.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 122.679 -0.306 . . . . 0.0 111.575 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.514 ' SG ' HG13 ' A' ' 10' ' ' ILE . 26.6 p -88.29 -31.27 19.06 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.401 0.62 . . . . 0.0 111.396 -173.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.402 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 65.8 34.46 88.78 Favored Glycine 0 C--N 1.332 0.334 0 CA-C-N 115.055 -0.975 . . . . 0.0 114.645 172.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.514 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.5 pp -117.75 -3.41 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 117.715 0.757 . . . . 0.0 112.688 -178.41 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -161.2 172.91 15.89 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.666 178.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -63.48 151.2 41.92 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.673 0.608 . . . . 0.0 111.112 -175.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.456 ' CD1' ' HB ' ' A' ' 3' ' ' VAL . 13.1 p90 -79.28 160.62 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.771 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -140.72 -27.17 0.73 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.939 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.567 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 3.2 m-85 -111.31 174.72 5.73 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.269 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -160.81 102.87 1.32 Allowed 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.0 t -50.49 125.56 20.88 Favored Pre-proline 0 C--N 1.331 -0.225 0 O-C-N 123.391 0.432 . . . . 0.0 110.855 -177.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -63.57 -13.5 36.89 Favored 'Trans proline' 0 C--N 1.34 0.11 0 C-N-CA 122.802 2.335 . . . . 0.0 112.229 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -108.09 -44.87 4.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.791 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.426 ' HB2' HG12 ' A' ' 22' ' ' VAL . 64.5 m -90.13 -22.53 21.71 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.411 -176.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 mt 65.44 9.95 6.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.247 -175.402 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.426 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.6 p -73.67 121.1 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-O 121.671 0.748 . . . . 0.0 109.748 178.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -77.66 103.52 7.65 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.881 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.567 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 2.8 p -97.93 151.95 19.73 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.848 -175.423 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.515 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 32.0 p -74.39 -31.73 62.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.816 -177.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.552 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 73.9 m -160.93 170.98 19.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.991 -175.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.5 tp -60.48 -30.65 69.83 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.431 0.457 . . . . 0.0 110.736 -174.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -52.94 -45.88 67.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.952 176.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.9 m -79.22 -27.4 42.49 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.222 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.498 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 5.1 m -66.32 -30.42 70.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.357 177.523 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -98.52 -7.73 27.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.703 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.57 ' O ' HG22 ' A' ' 35' ' ' THR . 52.1 tttm -73.75 -42.51 61.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.087 -175.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -69.69 -9.96 56.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.156 0.503 . . . . 0.0 110.661 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HE3' ' O ' ' A' ' 30' ' ' SER . 94.7 mttt -76.93 -17.46 58.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.957 -176.236 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 32' ' ' LYS . 7.2 t -86.73 -14.05 43.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.042 0.449 . . . . 0.0 110.84 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -108.67 -37.58 5.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -99.14 -13.42 19.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 0.0 111.296 -177.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 t30 66.69 15.88 10.24 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.703 0.764 . . . . 0.0 110.063 -177.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.4 t . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.328 -179.857 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.478 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 84.4 t . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.6 mt -76.49 148.61 37.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.311 0.577 . . . . 0.0 110.732 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 41.9 t -52.27 127.58 22.49 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.885 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.9 -21.53 69.59 Favored Glycine 0 CA--C 1.517 0.211 0 CA-C-N 115.971 -0.558 . . . . 0.0 113.262 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.0 t -89.14 -64.21 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.629 ' SG ' HG13 ' A' ' 10' ' ' ILE . 26.8 p -95.47 -34.68 11.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.358 0.599 . . . . 0.0 111.121 -174.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.425 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 70.5 23.77 77.33 Favored Glycine 0 C--O 1.228 -0.27 0 CA-C-N 115.194 -0.912 . . . . 0.0 114.396 174.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.629 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.4 pp -106.44 -12.52 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 117.626 0.713 . . . . 0.0 112.275 -176.435 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.723 ' HE3' ' SG ' ' A' ' 25' ' ' CYS . 14.8 pttp -151.08 170.09 20.23 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 177.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -56.38 158.17 4.47 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.889 0.743 . . . . 0.0 111.989 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.478 ' CD1' ' HB ' ' A' ' 3' ' ' VAL . 14.0 p90 -85.45 163.26 18.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.037 178.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -146.6 -22.4 0.42 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.006 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.548 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 10.8 m-85 -121.55 166.29 14.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.237 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -149.44 104.38 3.37 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.0 t -53.84 125.83 48.43 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.996 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.88 -17.48 51.1 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.097 2.531 . . . . 0.0 112.891 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -101.77 -47.02 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.929 0.395 . . . . 0.0 111.505 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.5 m -91.16 -18.04 25.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.009 0.433 . . . . 0.0 111.701 -172.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt 59.7 16.97 5.89 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.292 -177.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 p -79.29 121.87 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 CA-C-O 121.567 0.699 . . . . 0.0 110.005 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 49.9 mt-30 -74.97 95.51 3.01 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.657 177.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.548 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 2.5 p -93.14 148.26 22.17 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.747 -176.45 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.723 ' SG ' ' HE3' ' A' ' 11' ' ' LYS . 31.0 p -75.86 -29.96 58.74 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.627 -176.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.449 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 67.4 m -159.37 169.78 23.23 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.689 -176.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -60.81 -30.69 70.23 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -178.251 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -52.22 -41.13 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.389 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.434 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 11.4 m -84.26 -24.96 29.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.74 0.305 . . . . 0.0 110.99 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.468 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 12.2 m -66.81 -36.36 82.19 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 176.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -6.41 57.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.863 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.488 ' O ' HG22 ' A' ' 35' ' ' THR . 23.1 tptm -69.5 -45.07 69.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.61 -178.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -75.31 -13.51 60.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.373 . . . . 0.0 111.233 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.468 ' HE3' ' O ' ' A' ' 30' ' ' SER . 96.9 mttt -75.58 -25.77 57.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.707 0.289 . . . . 0.0 110.981 -173.251 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 32' ' ' LYS . 14.1 t -83.87 -1.63 54.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.337 -177.413 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -132.43 -2.3 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.643 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -128.51 -8.49 5.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.824 0.345 . . . . 0.0 110.791 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 67.26 14.16 9.63 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.972 -177.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.134 178.533 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.645 HG12 ' HD1' ' A' ' 13' ' ' PHE . 1.3 p . . . . . 0 N--CA 1.444 -0.742 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.567 ' N ' HG13 ' A' ' 3' ' ' VAL . 59.1 mt -123.27 134.13 54.12 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.159 161.746 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.481 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 42.2 t -41.8 125.62 2.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.076 -1.42 . . . . 0.0 112.444 -177.544 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.87 -19.07 65.07 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.428 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.0 t -91.75 -63.68 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.527 ' SG ' HG13 ' A' ' 10' ' ' ILE . 27.8 p -94.29 -22.78 18.15 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.315 0.579 . . . . 0.0 111.449 -173.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.04 34.77 89.2 Favored Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.029 -0.987 . . . . 0.0 114.824 173.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.527 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.6 pp -122.69 -10.38 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 118.302 1.051 . . . . 0.0 113.442 -177.311 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -154.21 175.81 13.03 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.572 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -60.94 155.56 19.6 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.689 0.757 . . . . 0.0 112.403 -178.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.645 ' HD1' HG12 ' A' ' 3' ' ' VAL . 7.9 p90 -83.98 155.39 22.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.819 176.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -139.01 -12.07 1.25 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.515 176.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.431 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 44.2 m-85 -132.37 172.38 12.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.318 -179.273 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -155.42 102.48 2.26 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.9 t -48.71 127.24 13.7 Favored Pre-proline 0 C--O 1.225 -0.226 0 O-C-N 123.35 0.406 . . . . 0.0 111.258 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.96 -16.04 53.44 Favored 'Trans proline' 0 CA--C 1.526 0.122 0 C-N-CA 122.616 2.211 . . . . 0.0 112.237 178.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -102.08 -47.6 4.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.482 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.474 ' HB2' HG12 ' A' ' 22' ' ' VAL . 64.4 m -89.6 -20.65 23.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.199 0.523 . . . . 0.0 111.47 -175.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt 61.19 18.87 9.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.447 -172.485 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.474 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.8 p -80.03 123.51 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-O 121.623 0.725 . . . . 0.0 110.241 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 45.2 mt-30 -73.92 102.28 4.05 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.568 -1.196 . . . . 0.0 109.687 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.431 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 1.5 p -100.49 148.64 24.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.732 -176.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.481 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 28.5 p -76.16 -31.26 58.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.959 -175.522 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -161.09 170.57 20.18 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.011 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.4 mt -56.89 -30.46 63.93 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.365 0.415 . . . . 0.0 111.244 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.487 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 10.8 tp10 -51.21 -43.77 61.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.851 176.552 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 19.0 m -86.29 -25.51 25.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.154 -179.433 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.582 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 13.5 m -64.94 -33.64 76.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.898 0.38 . . . . 0.0 110.017 178.58 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.487 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 65.3 pttt -96.37 -10.93 26.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.183 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 23.7 tptp -62.31 -45.17 94.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.841 -176.719 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -77.19 -12.57 59.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.057 -177.523 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.582 ' HE3' ' O ' ' A' ' 30' ' ' SER . 96.1 mttt -74.77 -35.42 62.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.894 0.378 . . . . 0.0 110.525 -174.378 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.6 t -78.36 -11.57 59.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.548 -176.591 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -114.74 -22.12 9.85 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -176.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -121.95 7.82 9.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.645 0.26 . . . . 0.0 111.567 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 58.62 43.43 19.04 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.241 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.9 t . . . . . 0 C--N 1.322 -0.619 0 CA-C-O 121.318 0.58 . . . . 0.0 110.941 -177.048 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' VAL . . . . . 0.72 HG12 ' HD2' ' A' ' 13' ' ' PHE . 1.5 p . . . . . 0 N--CA 1.443 -0.794 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.477 ' N ' HG13 ' A' ' 3' ' ' VAL . 41.6 mt -118.15 133.83 55.55 Favored 'General case' 0 N--CA 1.438 -1.073 0 C-N-CA 119.824 -0.751 . . . . 0.0 109.339 160.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.544 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 41.7 t -40.85 127.06 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.425 -176.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.43 -25.59 68.74 Favored Glycine 0 CA--C 1.519 0.299 0 CA-C-N 115.584 -0.735 . . . . 0.0 113.514 -175.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.1 t -86.18 -63.52 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 117.027 0.414 . . . . 0.0 111.818 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.698 ' SG ' HG13 ' A' ' 10' ' ' ILE . 30.8 p -89.75 -12.74 38.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.959 0.409 . . . . 0.0 111.26 -174.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.68 18.13 80.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.142 -0.552 . . . . 0.0 114.057 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.698 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.8 pp -134.14 158.19 42.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-N 117.856 0.828 . . . . 0.0 110.843 -178.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER 55.57 160.25 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.205 1.402 . . . . 0.0 113.359 179.127 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.425 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 28.1 mt-10 -68.39 146.72 52.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.983 179.013 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.72 ' HD2' HG12 ' A' ' 3' ' ' VAL . 17.3 p90 -69.94 156.45 39.09 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.865 -176.762 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -132.59 -20.19 2.33 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.835 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.482 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 32.2 m-85 -128.14 179.69 5.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.223 -178.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -163.05 102.87 0.99 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 t -45.28 124.86 5.7 Favored Pre-proline 0 N--CA 1.465 0.295 0 O-C-N 123.472 0.482 . . . . 0.0 111.024 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.85 -15.92 41.24 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.987 2.458 . . . . 0.0 112.3 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -105.03 -58.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.449 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' CYS . . . . . 0.467 ' HB2' HG12 ' A' ' 22' ' ' VAL . 74.8 m -72.3 -26.09 61.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.176 0.512 . . . . 0.0 111.259 -176.221 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mt 65.61 14.95 9.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.414 -174.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.467 HG12 ' HB2' ' A' ' 20' ' ' CYS . 13.1 p -76.79 120.22 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-O 121.611 0.72 . . . . 0.0 109.455 178.166 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . 0.459 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 97.7 mt-30 -76.5 101.23 5.54 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.181 179.17 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.482 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 4.0 p -92.9 159.74 15.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.253 -177.665 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 27.4 p -86.05 -27.17 24.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.633 -177.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.409 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 18.8 m -156.42 177.54 11.34 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.59 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.79 -33.58 75.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.55 0.214 . . . . 0.0 110.704 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -52.55 -53.39 46.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.507 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 15.5 m -69.21 -25.52 64.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.502 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.431 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 41.8 m -70.61 -35.83 73.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.917 0.389 . . . . 0.0 110.329 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.455 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 22.1 pttp -94.84 -7.74 39.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.029 0.442 . . . . 0.0 110.757 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.507 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 17.4 mttm -63.39 -45.31 91.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.242 177.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -76.18 -17.29 59.61 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.085 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HD2' ' HA ' ' A' ' 31' ' ' LYS . 95.4 mttt -75.65 -33.85 60.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.018 0.437 . . . . 0.0 110.439 -178.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 32' ' ' LYS . 10.5 t -82.81 -2.45 54.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.615 -174.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -130.85 -32.5 1.65 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.762 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -103.15 0.78 32.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.266 0.555 . . . . 0.0 109.952 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 61.57 34.03 18.02 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.945 176.149 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.027 176.738 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.38 12.01 2.23 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.772 2.315 . . . . 0.0 113.062 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 60.67 38.54 18.42 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.23 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt -99.44 73.87 1.88 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.258 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.52 149.88 44.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.295 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.45 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 61.5 t -100.44 139.51 21.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.789 178.626 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.7 mt -80.59 155.12 27.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.122 0.487 . . . . 0.0 111.026 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.549 ' HB3' ' H ' ' A' ' 9' ' ' GLY . 52.1 t -56.16 124.36 17.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.31 176.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.425 ' HA3' HG23 ' A' ' 22' ' ' VAL . . . -63.11 -21.26 63.67 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.119 -0.562 . . . . 0.0 113.161 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.9 t -90.59 -63.65 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.845 0.323 . . . . 0.0 111.722 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.7 p -99.3 -30.59 12.15 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.403 -173.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.549 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 47.95 63.81 3.35 Favored Glycine 0 N--CA 1.463 0.435 0 N-CA-C 114.477 0.551 . . . . 0.0 114.477 175.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.429 HD12 ' HG2' ' A' ' 11' ' ' LYS . 1.9 pp -136.08 10.28 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' HG2' HD12 ' A' ' 10' ' ' ILE . 13.6 ptmm? -158.96 -66.72 0.08 Allowed 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.664 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.428 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 37.2 tt0 -177.31 175.26 1.5 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -175.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.45 ' CD1' ' HB ' ' A' ' 3' ' ' VAL . 15.7 p90 -107.55 165.49 11.38 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.792 0.33 . . . . 0.0 110.402 173.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -143.9 -19.0 0.58 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.244 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.569 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 31.6 m-85 -125.85 178.09 5.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.486 -178.052 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -160.4 104.13 1.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.7 t -53.69 130.96 55.96 Favored Pre-proline 0 CA--C 1.53 0.192 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.385 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.51 -19.06 67.07 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.142 2.562 . . . . 0.0 112.715 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.532 ' NH1' ' HA ' ' A' ' 39' ' ' CYS . 39.1 mtp180 -100.92 -56.11 2.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.226 0.536 . . . . 0.0 111.412 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.481 ' HB2' HG12 ' A' ' 22' ' ' VAL . 57.0 m -80.44 -18.46 48.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.277 -171.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 mt 60.38 13.04 3.78 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.752 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.481 HG12 ' HB2' ' A' ' 20' ' ' CYS . 12.6 p -75.36 121.92 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.551 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.535 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 25.0 mt-30 -82.4 92.93 7.1 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.814 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.569 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 21.7 p -85.78 157.0 20.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.026 -176.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.461 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 31.4 p -83.97 -24.35 30.67 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.481 -178.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.4 m -159.01 169.46 24.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.978 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.96 -28.85 69.28 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.411 0.444 . . . . 0.0 110.454 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.467 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . 36.1 tt0 -59.86 -38.29 81.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.316 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.5 m -80.63 -26.14 37.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.742 0.305 . . . . 0.0 110.584 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.414 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 53.3 m -68.18 -42.16 80.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.965 0.412 . . . . 0.0 110.308 175.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.467 ' HE3' ' HA ' ' A' ' 28' ' ' GLU . 21.5 pttp -81.31 -7.06 59.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.857 0.36 . . . . 0.0 110.726 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -76.14 -42.57 46.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -74.12 -19.7 60.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.028 0.442 . . . . 0.0 111.13 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 30' ' ' SER . 91.6 mttt -69.83 -32.04 70.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.475 -172.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.9 t -82.99 -5.67 59.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.57 -172.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -126.81 -30.07 2.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.307 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -102.95 -0.98 30.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.625 -176.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 61.24 70.27 0.62 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.981 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.532 ' HA ' ' NH1' ' A' ' 19' ' ' ARG . 49.3 t -132.48 147.69 52.37 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.551 -176.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.6 m -116.43 -31.0 5.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.19 0.519 . . . . 0.0 109.987 174.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.31 50.4 3.43 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.6 175.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -125.02 17.45 8.5 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.9 m 77.58 -56.41 0.51 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.552 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -117.53 39.77 3.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.063 0.459 . . . . 0.0 111.084 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 C--O 1.245 0.836 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.275 176.596 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -73.27 88.45 0.98 Allowed 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.42 2.08 . . . . 0.0 112.048 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -74.33 -2.77 26.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.993 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptp -71.91 -14.02 61.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.371 174.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.31 147.25 24.2 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.817 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.407 ' O ' ' HD1' ' A' ' 13' ' ' PHE . 97.1 t -110.88 143.29 21.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.26 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.517 HD23 ' H ' ' A' ' 12' ' ' GLU . 42.8 mt -80.36 155.18 27.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.117 0.484 . . . . 0.0 111.071 178.181 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 53.9 t -56.2 126.14 24.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.831 178.205 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.88 -16.84 66.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.142 -178.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.2 t -93.11 -59.03 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.6 p -107.33 -20.03 13.4 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.671 -174.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 44.75 59.97 4.06 Favored Glycine 0 N--CA 1.465 0.604 0 N-CA-C 114.992 0.757 . . . . 0.0 114.992 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -142.02 -7.23 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.753 ' HE2' ' SG ' ' A' ' 25' ' ' CYS . 54.1 pttt -152.72 44.83 0.68 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.529 -0.469 . . . . 0.0 112.228 -176.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.517 ' H ' HD23 ' A' ' 4' ' ' LEU . 2.6 mp0 60.66 -172.13 0.14 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.038 0.447 . . . . 0.0 111.217 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.408 ' CB ' ' HB3' ' A' ' 23' ' ' GLN . 16.9 p90 -116.0 164.18 14.82 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.27 176.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -141.71 -19.56 0.75 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.651 175.135 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.555 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 12.4 m-85 -122.6 179.39 4.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.181 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -164.57 95.48 0.73 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 175.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.415 ' SG ' ' HA2' ' A' ' 41' ' ' GLY . 42.9 t -47.4 126.96 9.93 Favored Pre-proline 0 N--CA 1.464 0.237 0 O-C-N 123.622 0.576 . . . . 0.0 111.185 -176.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.559 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 19.0 Cg_endo -61.73 -18.41 60.27 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.89 2.393 . . . . 0.0 112.478 -177.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -99.27 -54.08 3.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.175 0.512 . . . . 0.0 110.916 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.42 ' HB2' HG12 ' A' ' 22' ' ' VAL . 61.1 m -82.44 -21.77 35.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.851 -171.872 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.1 mt 62.32 15.9 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.977 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.42 HG12 ' HB2' ' A' ' 20' ' ' CYS . 11.2 p -79.69 122.24 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.475 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.546 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 48.0 mt-30 -77.99 93.01 4.38 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.071 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.555 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 13.1 p -86.09 153.65 21.94 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.871 -178.481 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.753 ' SG ' ' HE2' ' A' ' 11' ' ' LYS . 27.9 p -76.01 -32.11 59.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.094 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.52 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 49.8 m -160.14 174.91 13.57 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.143 -176.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -64.57 -29.29 70.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.758 0.313 . . . . 0.0 110.447 -176.957 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -59.64 -30.94 69.07 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.838 0.351 . . . . 0.0 111.008 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.459 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 4.6 m -88.57 -27.49 21.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.741 0.305 . . . . 0.0 110.777 176.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.413 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 57.8 m -64.66 -36.05 83.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.955 0.407 . . . . 0.0 109.978 175.175 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -84.57 -10.48 57.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.862 0.363 . . . . 0.0 110.747 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.459 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 23.0 tptp -69.97 -41.13 74.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.451 -177.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -77.61 -15.27 59.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.299 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 30' ' ' SER . 96.3 mttt -72.11 -19.86 61.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.342 -171.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.7 t -98.46 5.22 48.21 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.247 -176.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -135.84 -27.19 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.692 0.282 . . . . 0.0 111.577 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -104.73 -3.51 23.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.677 0.275 . . . . 0.0 110.806 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.1 t30 57.47 84.83 0.09 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.514 -176.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.4 t -149.14 154.73 39.62 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.968 -172.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.1 m -113.47 -8.82 13.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.171 0.51 . . . . 0.0 110.455 173.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.415 ' HA2' ' SG ' ' A' ' 17' ' ' CYS . . . 70.94 44.93 54.36 Favored Glycine 0 C--N 1.334 0.441 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.27 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -151.84 150.05 29.68 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -176.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.559 ' OG1' ' HB2' ' A' ' 18' ' ' PRO . 94.3 m -141.04 91.57 2.42 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 119.997 -0.681 . . . . 0.0 112.129 -174.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -87.37 69.52 9.92 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 171.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.6 t70 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.126 -174.149 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.777 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.77 -6.04 16.5 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.579 2.186 . . . . 0.0 112.441 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 44.2 t60 68.79 -82.03 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.245 0.618 . . . . 0.0 110.576 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt 53.76 78.09 0.16 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 122.923 0.489 . . . . 0.0 111.64 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.78 179.66 0.18 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.266 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.42 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 78.5 t -132.67 131.28 59.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.65 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.0 mt -73.1 140.73 47.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.212 173.447 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 49.8 t -45.35 120.41 2.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.35 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.62 -21.56 62.92 Favored Glycine 0 N--CA 1.453 -0.204 0 CA-C-N 116.046 -0.525 . . . . 0.0 113.156 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 81.6 t -87.76 -67.22 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -178.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.515 ' SG ' HG13 ' A' ' 10' ' ' ILE . 25.0 p -91.2 -30.42 16.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.287 0.565 . . . . 0.0 111.365 -172.351 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 66.7 34.68 88.16 Favored Glycine 0 C--N 1.332 0.315 0 CA-C-N 115.213 -0.903 . . . . 0.0 114.572 172.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.515 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.4 pp -117.65 -10.33 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 117.968 0.884 . . . . 0.0 112.63 -178.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.484 ' HG2' HD12 ' A' ' 10' ' ' ILE . 19.3 ptpt -155.41 171.51 19.77 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 177.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -65.43 161.49 19.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.473 0.654 . . . . 0.0 111.048 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CG ' ' HB3' ' A' ' 23' ' ' GLN . 25.5 p90 -85.12 166.37 16.68 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.887 -176.21 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -139.57 -15.11 1.07 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.942 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.477 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 38.8 m-85 -127.65 172.62 10.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.466 -178.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -156.27 99.34 1.92 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.0 t -50.6 131.46 27.23 Favored Pre-proline 0 N--CA 1.464 0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.997 -175.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -62.48 -21.17 72.45 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.417 2.745 . . . . 0.0 112.915 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -102.47 -52.5 3.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.132 0.491 . . . . 0.0 111.095 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.427 ' HB2' HG12 ' A' ' 22' ' ' VAL . 56.0 m -83.0 -21.76 33.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.656 -172.404 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.1 mt 64.28 5.84 2.73 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.173 -174.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.427 HG12 ' HB2' ' A' ' 20' ' ' CYS . 12.5 p -69.67 128.66 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 CA-C-O 121.762 0.791 . . . . 0.0 109.841 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.561 ' HB3' ' CG ' ' A' ' 13' ' ' PHE . 41.4 mt-30 -85.69 105.84 16.53 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 114.484 -1.234 . . . . 0.0 109.706 -178.141 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.477 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 3.4 p -101.79 148.5 25.21 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.05 -175.019 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.513 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 21.0 p -77.59 -24.54 49.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.958 -174.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.9 m -159.28 168.15 27.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.16 -178.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.423 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -61.62 -30.94 71.02 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.366 0.416 . . . . 0.0 110.13 -176.706 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.46 -47.22 73.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.676 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.43 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 51.3 m -75.53 -26.93 58.47 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.562 178.578 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.452 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 11.8 m -65.5 -26.29 67.85 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.953 0.406 . . . . 0.0 110.481 178.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -109.56 -2.06 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.124 0.488 . . . . 0.0 110.87 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 27.9 tptp -66.71 -42.1 86.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.28 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -74.51 -12.71 60.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.168 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HE3' ' O ' ' A' ' 30' ' ' SER . 98.6 mttt -74.71 -23.85 58.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.807 0.336 . . . . 0.0 110.935 -174.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 32' ' ' LYS . 10.8 t -94.91 -2.39 50.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.05 -176.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -121.59 -44.78 2.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.413 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -100.32 -0.48 38.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.833 -176.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 60.57 91.86 0.05 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.469 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.2 t -141.68 137.21 31.59 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.124 0.488 . . . . 0.0 110.928 -175.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.1 p -84.35 -29.78 26.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.726 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.92 25.6 75.21 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.358 -173.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -134.83 42.39 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -173.706 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.4 p 47.07 -100.77 0.06 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.423 0.689 . . . . 0.0 112.602 -174.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 67.72 -75.18 0.06 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.116 0.567 . . . . 0.0 111.132 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 . . . . . 0 C--O 1.246 0.898 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.069 -179.06 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.61 140.05 91.89 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.729 2.286 . . . . 0.0 112.093 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -83.23 38.66 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.476 0.655 . . . . 0.0 110.771 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptp -143.19 36.73 1.37 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.014 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.26 154.55 27.8 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.059 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t -118.73 133.38 65.77 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.445 -177.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.1 mt -79.43 153.64 29.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.922 175.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 41.8 t -49.84 129.8 20.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.38 178.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.13 -17.01 73.5 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.912 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.0 t -93.46 -70.86 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 122.836 -0.214 . . . . 0.0 111.456 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.553 ' SG ' HG13 ' A' ' 10' ' ' ILE . 25.5 p -88.04 -35.31 17.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.323 0.582 . . . . 0.0 110.904 -174.189 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.499 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 69.58 24.58 76.15 Favored Glycine 0 C--O 1.226 -0.376 0 CA-C-N 115.216 -0.902 . . . . 0.0 114.736 172.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.553 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.3 pp -102.16 -16.14 7.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 117.82 0.81 . . . . 0.0 111.819 -176.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.517 ' N ' HD12 ' A' ' 10' ' ' ILE . 6.4 ptpp? -146.98 177.67 8.96 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 175.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -61.98 167.42 3.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.579 0.704 . . . . 0.0 111.783 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.411 ' CG ' ' HB3' ' A' ' 23' ' ' GLN . 18.1 p90 -93.2 164.66 13.16 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.372 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -145.64 -23.31 0.47 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.831 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.565 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 17.8 m-85 -116.63 179.69 3.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.96 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -166.76 94.9 0.51 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.0 t -46.22 124.44 7.06 Favored Pre-proline 0 C--O 1.226 -0.153 0 O-C-N 123.766 0.666 . . . . 0.0 111.125 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -67.14 -10.15 27.58 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.556 2.171 . . . . 0.0 111.856 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 40' ' ' SER . 16.3 mtp180 -102.36 -47.68 4.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.406 177.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.408 ' HB2' HG12 ' A' ' 22' ' ' VAL . 80.3 m -92.19 -25.31 18.73 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -174.667 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.7 mt 70.58 6.34 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.127 -173.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.408 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.6 p -68.93 125.61 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-O 121.603 0.716 . . . . 0.0 110.149 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.411 ' HB3' ' CG ' ' A' ' 13' ' ' PHE . 45.5 mt-30 -79.21 96.27 5.86 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.954 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.565 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 8.2 p -91.84 154.4 18.92 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.062 -177.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 31.5 p -80.26 -31.45 38.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.449 -178.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.554 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 59.8 m -160.08 177.45 10.7 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 -176.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.67 -31.59 72.5 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.19 0.306 . . . . 0.0 111.409 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -53.59 -43.34 68.5 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.332 0.587 . . . . 0.0 111.803 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.448 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 19.4 m -83.7 -23.6 31.6 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.622 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.579 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 8.5 t -68.69 -29.72 68.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.59 177.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 17.5 ptpt -96.15 -13.61 23.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.625 178.311 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.549 ' O ' HG22 ' A' ' 35' ' ' THR . 51.2 tptt -63.03 -45.11 93.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.102 -174.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -74.7 -14.33 60.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.978 0.418 . . . . 0.0 110.733 -177.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.579 ' HE3' ' O ' ' A' ' 30' ' ' SER . 94.5 mttt -74.93 -32.83 61.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.073 0.463 . . . . 0.0 110.486 -177.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 32' ' ' LYS . 7.1 t -84.58 2.32 41.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.181 -175.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -126.39 -38.67 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.492 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -109.41 0.78 19.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -177.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.1 t30 58.38 87.51 0.07 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.982 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.1 t -137.44 166.67 23.29 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.2 0.524 . . . . 0.0 111.04 -175.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.516 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 42.3 m -135.48 175.89 9.18 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.18 -0.918 . . . . 0.0 108.838 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -117.01 50.46 0.79 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.023 -1.084 . . . . 0.0 112.505 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.42 ' OE1' ' HB3' ' A' ' 40' ' ' SER . 23.2 mp0 -132.33 128.61 38.07 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 176.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.6 m -75.76 132.88 40.74 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.203 -173.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -135.54 114.89 12.5 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.595 -0.717 . . . . 0.0 110.389 -178.175 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.848 -0.501 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -62.61 126.32 18.05 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.768 2.312 . . . . 0.0 112.127 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -83.62 8.06 15.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.025 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -90.42 13.0 16.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.607 0.718 . . . . 0.0 109.728 174.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.465 ' O ' ' HB ' ' A' ' 3' ' ' VAL . . . -156.54 170.88 21.34 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-N 114.701 -1.136 . . . . 0.0 108.164 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.801 HG12 ' HD2' ' A' ' 13' ' ' PHE . 1.4 p 169.86 -178.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -169.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.451 ' N ' HG13 ' A' ' 3' ' ' VAL . 65.9 mt -116.76 129.23 55.98 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 162.425 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 41.5 t -36.01 120.44 0.62 Allowed 'General case' 0 C--O 1.222 -0.381 0 O-C-N 124.659 1.224 . . . . 0.0 112.538 -178.1 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.15 -23.41 52.46 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 113.948 -174.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.5 t -86.64 -62.69 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -178.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.457 ' SG ' HG13 ' A' ' 10' ' ' ILE . 21.6 p -97.77 -23.74 15.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.955 -173.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 50.5 66.95 2.11 Favored Glycine 0 C--O 1.235 0.192 0 CA-C-N 116.17 -0.468 . . . . 0.0 114.146 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.553 HD12 ' N ' ' A' ' 11' ' ' LYS . 1.9 pp -138.59 -24.47 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 177.017 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.553 ' N ' HD12 ' A' ' 10' ' ' ILE . 5.4 ptpp? -143.46 177.57 8.37 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.815 0.341 . . . . 0.0 111.138 177.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.472 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 31.7 tt0 -63.77 146.1 54.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.919 -177.766 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.801 ' HD2' HG12 ' A' ' 3' ' ' VAL . 17.9 p90 -70.98 155.4 40.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.929 -178.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -131.9 -19.04 2.63 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.729 178.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.529 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 26.3 m-85 -130.28 178.0 6.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.987 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -163.86 101.84 0.89 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.7 t -47.86 122.51 9.22 Favored Pre-proline 0 C--O 1.224 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -62.39 -14.84 41.37 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.784 2.322 . . . . 0.0 112.739 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -102.27 -47.59 4.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.687 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.462 ' HB2' HG12 ' A' ' 22' ' ' VAL . 73.5 m -82.3 -28.71 31.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.277 0.561 . . . . 0.0 111.144 -177.349 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.7 mt 66.67 13.89 9.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.527 -173.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.462 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.9 p -75.38 121.6 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-O 121.63 0.729 . . . . 0.0 109.616 177.43 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.526 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 36.1 mt-30 -78.46 100.56 6.9 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.05 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 7.2 p -93.85 160.64 14.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.018 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 22.1 p -92.21 -20.44 21.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -177.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.404 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 59.4 p -155.16 176.06 13.04 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.962 -178.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.93 -26.76 66.13 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 173.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -59.72 -48.38 81.91 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.279 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.3 m -74.61 -22.11 59.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.085 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.405 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 48.5 m -73.49 -33.76 64.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.816 0.341 . . . . 0.0 110.683 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 21.9 pttp -92.61 -10.49 37.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.149 0.499 . . . . 0.0 110.304 177.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.533 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 51.9 tptt -60.96 -43.42 98.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.467 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.7 p80 -79.25 -13.61 59.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.778 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.406 ' HD2' ' HA ' ' A' ' 31' ' ' LYS . 94.1 mttt -78.07 -39.65 41.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.117 0.484 . . . . 0.0 110.081 -178.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.1 t -75.78 -9.46 58.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.471 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 13.2 ptm180 -114.66 -39.29 3.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.689 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.15 9.28 21.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.613 0.244 . . . . 0.0 111.522 -173.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 57.41 38.26 28.24 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.513 174.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.0 t -80.99 137.07 36.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.919 0.39 . . . . 0.0 110.412 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.3 m -91.86 -12.11 34.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.22 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 44.05 54.64 6.01 Favored Glycine 0 C--N 1.335 0.511 0 CA-C-N 115.753 -0.658 . . . . 0.0 114.058 173.058 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -159.06 127.03 5.03 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.5 p -103.62 -16.79 15.39 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 172.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 34.9 t60 69.71 8.9 6.96 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.568 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.6 t70 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.415 -0.803 . . . . 0.0 109.708 -178.754 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.84 116.46 4.13 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.5 2.133 . . . . 0.0 112.047 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -80.14 79.89 6.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.691 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt -87.78 142.28 27.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.512 -178.352 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.506 ' O ' ' HB ' ' A' ' 3' ' ' VAL . . . -162.63 175.69 11.12 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.74 HG12 ' HD1' ' A' ' 13' ' ' PHE . 1.4 p 168.14 -175.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 -170.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.505 ' N ' HG13 ' A' ' 3' ' ' VAL . 45.6 mt -118.25 134.98 54.56 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.199 160.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 42.3 t -39.37 120.44 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 124.521 1.138 . . . . 0.0 111.804 -177.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.4 -19.31 40.03 Favored Glycine 0 CA--C 1.517 0.197 0 CA-C-N 115.686 -0.688 . . . . 0.0 113.908 -174.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.446 HG11 ' HD3' ' A' ' 32' ' ' LYS . 69.2 t -92.31 -63.05 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.682 ' SG ' HG13 ' A' ' 10' ' ' ILE . 25.9 p -96.29 -34.03 11.75 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.441 0.638 . . . . 0.0 111.635 -173.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.6 33.54 81.37 Favored Glycine 0 C--O 1.227 -0.334 0 CA-C-N 115.025 -0.989 . . . . 0.0 114.738 174.378 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.682 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.2 pp -105.23 -15.06 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 117.811 0.805 . . . . 0.0 112.184 -179.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.493 ' N ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -154.8 178.92 9.6 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.01 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.557 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 20.0 mp0 -62.63 171.63 1.95 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.714 0.768 . . . . 0.0 111.774 -177.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.74 ' HD1' HG12 ' A' ' 3' ' ' VAL . 11.9 p90 -90.34 154.87 19.37 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.894 177.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -133.87 -22.65 1.84 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.152 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.595 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 17.8 m-85 -118.15 175.9 5.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.879 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -164.1 99.38 0.85 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.3 t -51.25 130.36 32.39 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.155 -178.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.416 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 34.4 Cg_endo -65.39 -18.46 60.21 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.937 2.425 . . . . 0.0 112.484 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -104.24 -54.49 2.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.311 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.46 ' HB2' HG12 ' A' ' 22' ' ' VAL . 67.6 m -75.33 -26.02 58.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.976 0.417 . . . . 0.0 111.232 -176.473 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.9 mt 67.63 4.89 4.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.777 -172.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.46 HG12 ' HB2' ' A' ' 20' ' ' CYS . 12.4 p -66.11 121.45 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-O 121.913 0.863 . . . . 0.0 110.083 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.582 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 39.3 mt-30 -79.42 95.43 5.76 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.753 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.538 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 8.6 p -90.41 155.43 18.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.026 -177.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 32.0 p -82.18 -31.82 30.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.255 -178.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.595 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 48.8 m -159.74 173.84 15.41 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.18 -177.53 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.8 -27.98 69.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.68 0.276 . . . . 0.0 111.011 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -53.89 -35.9 62.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.743 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.5 m -90.62 -28.05 18.66 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.379 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.526 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 47.5 m -64.66 -42.78 95.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.889 0.376 . . . . 0.0 110.02 176.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 64.2 pttt -77.1 -17.38 58.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.66 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.492 ' O ' HG22 ' A' ' 35' ' ' THR . 47.7 tttp -65.74 -40.89 92.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 -176.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -78.49 -17.13 56.7 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.545 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 30' ' ' SER . 66.5 mttm -78.11 -32.8 50.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.988 -178.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 32' ' ' LYS . 6.1 t -71.4 -15.33 62.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.873 0.368 . . . . 0.0 111.481 -176.423 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -116.8 -26.4 6.96 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -112.26 -7.66 14.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.176 0.512 . . . . 0.0 111.199 -175.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 59.41 29.62 19.21 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.329 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 28.0 t -76.16 105.3 7.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.44 -176.707 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.0 t -89.8 143.6 26.66 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 175.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.17 75.32 1.77 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.099 -176.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -135.36 89.84 2.55 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -178.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.416 ' OG1' ' HB2' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -68.17 85.84 0.26 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.983 0.42 . . . . 0.0 110.873 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -75.97 -54.15 7.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.567 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.427 -0.796 . . . . 0.0 109.614 177.649 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 111.704 -0.559 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -65.34 108.59 1.2 Allowed 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.868 2.379 . . . . 0.0 112.085 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -73.7 4.28 5.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.471 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptm -90.3 -6.65 54.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.721 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.15 150.99 40.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.907 0.384 . . . . 0.0 110.934 -177.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.448 ' O ' ' HD1' ' A' ' 13' ' ' PHE . 57.6 t -113.26 140.06 35.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.029 -178.82 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.47 ' CD1' ' H ' ' A' ' 12' ' ' GLU . 3.0 mm? -79.98 179.09 7.78 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.729 0.776 . . . . 0.0 110.9 176.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 45.5 t -64.73 132.79 50.59 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.53 175.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.415 ' HA3' ' CG2' ' A' ' 22' ' ' VAL . . . -68.82 -16.13 69.87 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.951 179.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.0 t -96.36 -64.06 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 O-C-N 122.524 -0.398 . . . . 0.0 111.534 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.443 ' SG ' HG13 ' A' ' 10' ' ' ILE . 32.0 p -91.49 -7.12 51.35 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 120.122 -0.631 . . . . 0.0 111.775 -175.294 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . 62.49 29.82 74.59 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 114.652 0.621 . . . . 0.0 114.652 172.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.539 HD12 ' HG2' ' A' ' 11' ' ' LYS . 2.7 pp -148.39 170.09 2.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 117.644 0.722 . . . . 0.0 111.444 -176.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.539 ' HG2' HD12 ' A' ' 10' ' ' ILE . 11.2 ptmm? 52.55 27.07 4.73 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.447 1.499 . . . . 0.0 113.991 174.224 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.47 ' H ' ' CD1' ' A' ' 4' ' ' LEU . 34.7 mt-10 65.66 171.48 0.22 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.517 0.675 . . . . 0.0 111.488 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.448 ' HD1' ' O ' ' A' ' 3' ' ' VAL . 23.5 p90 -104.45 164.55 11.66 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.378 178.318 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -141.17 -28.31 0.68 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.209 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.595 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 11.1 m-85 -113.93 179.67 3.89 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.336 -178.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -163.37 104.32 0.96 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.336 175.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.517 ' SG ' ' HA2' ' A' ' 41' ' ' GLY . 40.6 t -51.68 121.86 19.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.612 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.8 -17.86 57.47 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.72 2.28 . . . . 0.0 112.515 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -96.59 -46.65 6.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.556 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.485 ' HB2' HG12 ' A' ' 22' ' ' VAL . 85.5 m -89.43 -23.51 22.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.115 0.483 . . . . 0.0 111.521 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.9 mt 64.6 17.09 10.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.412 -173.362 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.485 HG12 ' HB2' ' A' ' 20' ' ' CYS . 12.9 p -80.16 121.46 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.451 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 24.6 mt-30 -83.08 97.35 8.73 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.366 -177.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.436 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 3.5 p -90.45 159.36 16.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.138 -175.2 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.478 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 28.9 p -82.18 -31.34 30.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.942 0.401 . . . . 0.0 110.497 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.595 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 49.1 m -160.25 168.26 25.75 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.025 -177.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.6 mt -57.33 -29.28 63.84 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.861 0.362 . . . . 0.0 110.817 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.433 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 15.3 tp10 -51.56 -40.89 60.59 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.775 176.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.2 m -90.04 -24.18 21.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.859 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.468 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 8.9 m -65.82 -36.51 83.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.985 0.422 . . . . 0.0 110.146 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 65.1 pttt -87.97 -7.89 56.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.424 ' O ' HG22 ' A' ' 35' ' ' THR . 24.1 tptm -64.27 -45.23 88.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.756 -177.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -77.11 -15.05 59.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.85 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.468 ' HE3' ' O ' ' A' ' 30' ' ' SER . 94.4 mttt -76.23 -32.9 59.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.83 0.348 . . . . 0.0 110.8 -174.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 32' ' ' LYS . 11.5 t -76.5 -14.73 60.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.819 -175.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -122.15 -5.11 8.94 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -175.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -131.48 1.38 4.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.93 0.395 . . . . 0.0 111.311 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 61.0 28.94 18.7 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.009 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.2 t -79.19 146.62 33.0 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 177.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.6 p -94.75 -26.69 16.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.4 0.619 . . . . 0.0 110.685 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.517 ' HA2' ' SG ' ' A' ' 17' ' ' CYS . . . 68.9 35.32 79.08 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.082 -175.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -153.93 144.41 22.34 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -177.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.4 p -124.38 99.78 6.36 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.772 0.32 . . . . 0.0 111.785 -176.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -89.03 -36.46 15.79 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.057 178.236 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.562 0 N-CA-C 111.545 -0.622 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -74.23 137.55 23.75 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.327 2.018 . . . . 0.0 111.881 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -80.81 73.54 7.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.257 0.551 . . . . 0.0 110.229 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.0 mtp -95.55 171.21 8.82 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.959 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.413 ' O ' ' HB ' ' A' ' 3' ' ' VAL . . . -162.34 176.43 10.55 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -177.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.805 HG12 ' HD1' ' A' ' 13' ' ' PHE . 1.6 p 171.69 -178.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 -169.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.424 ' N ' HG13 ' A' ' 3' ' ' VAL . 56.2 mt -117.56 135.3 54.05 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 162.454 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 51.0 t -38.89 125.36 1.48 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.555 -1.202 . . . . 0.0 112.747 -174.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.92 -20.03 64.01 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.706 -0.679 . . . . 0.0 113.541 -176.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.3 t -93.41 -65.02 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -178.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.717 ' SG ' HG13 ' A' ' 10' ' ' ILE . 31.3 p -88.49 -12.02 44.15 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.456 -174.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.14 15.19 81.25 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 121.116 -0.564 . . . . 0.0 114.13 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.717 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.7 pp -132.24 154.53 40.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 117.76 0.78 . . . . 0.0 110.665 -177.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 10.9 ptmm? 56.0 168.31 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.881 1.272 . . . . 0.0 112.867 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -71.45 154.38 41.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.103 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.805 ' HD1' HG12 ' A' ' 3' ' ' VAL . 18.1 p90 -75.04 155.34 37.35 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.36 177.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -131.62 -25.03 2.17 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.791 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.522 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 21.2 m-85 -121.15 -178.45 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.132 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -164.57 96.8 0.76 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.9 t -49.74 126.52 18.42 Favored Pre-proline 0 C--N 1.333 -0.13 0 O-C-N 123.416 0.448 . . . . 0.0 111.46 -177.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 25.4 Cg_endo -63.3 -16.85 57.08 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 123.03 2.487 . . . . 0.0 112.759 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -103.58 -47.2 4.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.485 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.554 ' HB2' HG12 ' A' ' 22' ' ' VAL . 81.7 m -85.63 -24.62 27.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.955 0.407 . . . . 0.0 111.72 -174.187 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.9 mt 64.02 12.87 7.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.454 -172.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.554 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.6 p -74.51 120.87 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.46 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.547 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 38.4 mt-30 -79.89 97.49 6.72 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.427 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.522 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 11.7 p -90.42 153.47 20.38 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.026 -176.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 20.5 p -84.4 -18.28 36.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.458 -177.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.2 p -162.68 178.4 8.54 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.801 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.499 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 87.9 mt -68.98 -22.73 64.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.153 0.502 . . . . 0.0 109.842 173.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.471 ' OE2' ' HE3' ' A' ' 31' ' ' LYS . 7.7 tp10 -60.79 -42.76 98.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.805 178.402 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.5 m -84.33 -25.37 29.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.981 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.499 ' OG ' ' HA ' ' A' ' 27' ' ' LEU . 65.9 p -71.35 -34.02 70.11 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.37 178.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.541 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 16.6 pttp -84.93 -14.76 46.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.066 0.46 . . . . 0.0 110.376 177.245 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -66.27 -34.05 77.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.452 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -83.91 -15.67 47.12 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.841 176.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HD2' ' HA ' ' A' ' 31' ' ' LYS . 59.8 mttm -77.9 -26.55 49.19 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.035 0.445 . . . . 0.0 110.661 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.7 t -89.27 6.97 37.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.956 -176.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -136.83 -35.12 0.72 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.714 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -107.02 -5.1 18.33 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.205 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 51.48 82.34 0.06 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.273 0.558 . . . . 0.0 110.641 -176.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.533 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 26.6 t -132.64 113.16 12.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.299 -174.264 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.7 t -89.63 134.92 33.9 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.09 56.87 4.31 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.298 -175.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -114.28 -6.06 12.97 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.857 0.36 . . . . 0.0 110.497 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' A' ' 18' ' ' PRO . 2.2 m 72.79 -47.31 0.67 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.637 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -59.01 -65.39 0.67 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.343 0.402 . . . . 0.0 110.355 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.164 177.15 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.771 -0.532 . . . . 0.0 111.771 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -48.46 -59.85 1.09 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.332 2.688 . . . . 0.0 112.994 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 40.9 m80 54.44 51.26 14.48 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.526 0.679 . . . . 0.0 110.141 -177.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptm -140.5 18.41 2.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.403 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.67 130.26 35.34 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.551 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.6 t -107.42 140.37 25.93 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.335 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.82 145.26 48.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.629 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.546 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 53.3 t -45.13 123.68 4.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.603 177.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.82 -24.42 62.44 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.768 -0.651 . . . . 0.0 113.4 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.2 t -87.97 -67.1 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.819 0.309 . . . . 0.0 111.772 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.626 ' SG ' HG13 ' A' ' 10' ' ' ILE . 21.9 p -92.38 -29.98 16.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.221 0.534 . . . . 0.0 111.786 -171.341 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.42 32.75 85.2 Favored Glycine 0 C--N 1.331 0.274 0 CA-C-N 115.213 -0.903 . . . . 0.0 114.946 173.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.626 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.4 pp -108.74 -14.94 9.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 117.945 0.872 . . . . 0.0 111.853 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' N ' HD12 ' A' ' 10' ' ' ILE . 21.9 ptmt -150.35 173.98 13.38 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.98 163.7 3.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.725 0.774 . . . . 0.0 111.581 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.474 ' CG ' ' HB3' ' A' ' 23' ' ' GLN . 21.1 p90 -88.39 155.29 19.77 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.2 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -134.7 -17.7 1.94 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.963 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.542 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 24.5 m-85 -125.66 -179.15 4.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.16 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -168.09 99.57 0.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.4 t -50.62 127.69 25.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 123.56 0.538 . . . . 0.0 111.854 -177.09 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -60.72 -19.73 62.34 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.243 2.629 . . . . 0.0 112.873 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -99.66 -47.47 5.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.012 0.434 . . . . 0.0 111.369 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.459 ' HB2' HG12 ' A' ' 22' ' ' VAL . 64.5 m -89.83 -22.55 22.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.884 -171.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.8 mt 62.81 13.33 6.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.183 -176.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.459 HG12 ' HB2' ' A' ' 20' ' ' CYS . 11.1 p -78.4 120.95 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.474 ' HB3' ' CG ' ' A' ' 13' ' ' PHE . 25.4 mt-30 -79.94 100.55 8.14 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.113 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.542 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 11.4 p -92.22 160.55 15.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.915 -176.292 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 23.9 p -89.89 -20.22 23.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 -178.361 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.9 p -158.11 175.51 13.7 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.718 -177.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.92 -25.65 67.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.062 172.544 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.76 -48.72 80.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.116 0.484 . . . . 0.0 110.427 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.3 m -75.79 -20.78 57.96 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.99 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.2 m -74.39 -37.96 63.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.452 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -84.45 -13.67 51.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.94 0.4 . . . . 0.0 110.198 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.414 ' O ' HG22 ' A' ' 35' ' ' THR . 27.2 tptp -60.74 -48.67 80.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.905 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -74.2 -11.58 60.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.198 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -76.92 -27.01 54.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.748 0.309 . . . . 0.0 111.074 -173.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 32' ' ' LYS . 12.7 t -85.82 1.13 50.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.043 0.449 . . . . 0.0 111.034 -177.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -128.58 -30.55 2.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.498 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -99.76 -8.09 24.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.112 0.482 . . . . 0.0 110.48 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 61.85 27.51 16.77 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.893 0.854 . . . . 0.0 110.496 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.1 t -83.56 148.63 27.07 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.312 -1.313 . . . . 0.0 109.165 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.1 m -114.49 -7.75 12.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.054 0.454 . . . . 0.0 110.687 175.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.96 44.81 8.78 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.886 -0.597 . . . . 0.0 113.119 175.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -159.35 118.09 2.88 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -66.12 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.593 178.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -151.91 2.15 0.37 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.061 0.458 . . . . 0.0 110.519 169.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 . . . . . 0 C--O 1.249 1.048 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.139 177.119 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.801 -0.519 . . . . 0.0 111.801 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.04 145.34 49.52 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.702 2.268 . . . . 0.0 112.168 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -84.31 -15.56 46.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.5 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -80.91 59.69 3.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 122.108 0.956 . . . . 0.0 110.164 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.487 ' O ' ' HB ' ' A' ' 3' ' ' VAL . . . -151.15 171.06 17.98 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 114.364 -1.289 . . . . 0.0 108.539 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.709 HG12 ' HD1' ' A' ' 13' ' ' PHE . 1.5 p 168.13 -173.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 -168.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.528 ' N ' HG13 ' A' ' 3' ' ' VAL . 42.0 mt -118.74 129.61 55.35 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.406 161.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.591 ' HB3' ' H ' ' A' ' 9' ' ' GLY . 50.3 t -35.67 122.26 0.65 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 114.352 -1.294 . . . . 0.0 112.035 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.85 -15.45 55.12 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 121.293 -0.479 . . . . 0.0 113.275 -176.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -92.58 -62.04 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 122.797 -0.237 . . . . 0.0 111.473 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.7 p -103.83 -34.04 8.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.046 -174.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.591 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 51.17 70.14 0.94 Allowed Glycine 0 N--CA 1.46 0.275 0 CA-C-N 116.052 -0.522 . . . . 0.0 114.165 176.449 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.446 HD12 ' HG2' ' A' ' 11' ' ' LYS . 1.9 pp -142.36 14.7 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.5 ' HG3' ' H ' ' A' ' 12' ' ' GLU . 19.6 ptmt -162.51 -68.89 0.05 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.505 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 31.0 tt0 178.13 168.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -176.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.709 ' HD1' HG12 ' A' ' 3' ' ' VAL . 6.0 p90 -95.89 152.65 18.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.074 0.464 . . . . 0.0 110.587 174.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -132.28 -18.94 2.52 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.463 174.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.467 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 27.0 m-85 -124.89 172.57 9.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.643 -178.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -154.84 107.3 2.75 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 174.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.9 t -49.7 130.02 20.24 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.347 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.523 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 56.2 Cg_endo -70.52 -12.23 31.12 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.82 2.346 . . . . 0.0 112.047 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.468 ' HD3' ' SG ' ' A' ' 39' ' ' CYS . 67.0 mtp180 -102.92 -49.84 3.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.008 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.407 ' HB2' HG12 ' A' ' 22' ' ' VAL . 58.2 m -91.53 -20.69 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.624 -174.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.2 mt 63.22 17.13 9.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.983 -175.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.407 HG12 ' HB2' ' A' ' 20' ' ' CYS . 12.8 p -80.56 120.89 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-O 121.671 0.748 . . . . 0.0 110.131 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.509 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 44.0 mt-30 -68.48 109.08 3.54 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.878 177.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 p -108.51 151.34 26.21 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.406 -176.244 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.0 p -79.76 -31.98 40.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.005 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.467 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 75.1 m -157.47 168.64 26.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.57 -177.273 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.3 mt -57.11 -32.83 66.71 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.398 0.436 . . . . 0.0 111.474 -177.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -53.3 -45.39 68.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.92 0.391 . . . . 0.0 110.552 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.44 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 32.8 m -78.88 -28.18 44.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.789 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.551 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 13.9 m -67.41 -22.82 65.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.982 0.42 . . . . 0.0 110.378 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -111.62 8.88 21.03 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.051 0.453 . . . . 0.0 110.662 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.44 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 27.1 tptp -80.91 -41.31 23.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.263 0.554 . . . . 0.0 110.164 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -73.75 -14.95 61.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.344 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HE3' ' O ' ' A' ' 30' ' ' SER . 98.6 mttt -67.88 -20.99 65.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 111.23 -171.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 32' ' ' LYS . 11.7 t -81.13 -21.0 40.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.348 -177.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.452 ' HG3' ' OD1' ' A' ' 37' ' ' ASP . 21.7 ptt180 -118.6 -18.19 9.11 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.745 0.307 . . . . 0.0 111.726 -175.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.452 ' OD1' ' HG3' ' A' ' 36' ' ' ARG . 1.2 m-20 -105.38 -3.25 22.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.062 0.458 . . . . 0.0 110.061 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 56.26 47.56 19.0 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.062 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.468 ' SG ' ' HD3' ' A' ' 19' ' ' ARG . 45.6 t -103.77 170.31 8.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.865 -1.062 . . . . 0.0 110.512 -173.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.4 p -151.04 -76.74 0.14 Allowed 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.256 -175.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.78 63.83 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -123.77 -27.0 4.03 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.77 0.319 . . . . 0.0 110.467 -172.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.523 ' OG1' ' HB2' ' A' ' 18' ' ' PRO . 5.9 m 62.77 75.12 0.41 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.476 0.655 . . . . 0.0 110.376 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 29.5 t-80 -148.3 32.22 0.82 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--O 1.251 1.152 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.048 -172.874 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 112.138 -0.385 . . . . 0.0 112.138 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' -1' ' ' PRO . . . . . 0.524 ' HG2' ' O ' ' A' ' 2' ' ' ALA . 57.9 Cg_endo -74.71 163.95 34.7 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.647 2.231 . . . . 0.0 112.298 178.135 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -108.8 -0.75 19.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.35 . . . . 0.0 111.724 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptp -73.34 -33.17 64.97 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 170.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.524 ' O ' ' HG2' ' A' ' -1' ' ' PRO . . . -168.52 143.02 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.66 -1.155 . . . . 0.0 108.378 177.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.483 ' O ' ' HD1' ' A' ' 13' ' ' PHE . 60.7 t -88.2 134.2 28.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 121.068 0.461 . . . . 0.0 110.702 -177.157 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.424 HD23 ' H ' ' A' ' 12' ' ' GLU . 49.1 mt -78.8 148.81 32.78 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.022 176.468 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.542 ' HB3' ' H ' ' A' ' 9' ' ' GLY . 46.8 t -43.27 123.88 3.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.179 177.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.8 -22.11 56.62 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 121.091 -0.576 . . . . 0.0 113.504 -177.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 29' ' ' CYS . 89.4 t -92.09 -65.09 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 122.559 -0.377 . . . . 0.0 111.809 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.5 p -97.48 -26.36 14.86 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.054 -174.336 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.542 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 46.6 59.45 5.38 Favored Glycine 0 N--CA 1.459 0.218 0 N-CA-C 114.607 0.603 . . . . 0.0 114.607 176.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.49 HD12 ' HG2' ' A' ' 11' ' ' LYS . 2.0 pp -140.67 -11.54 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' HG2' HD12 ' A' ' 10' ' ' ILE . 5.9 ptpp? -142.05 41.0 1.66 Allowed 'General case' 0 N--CA 1.466 0.363 0 O-C-N 122.049 -0.407 . . . . 0.0 111.618 -178.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.545 ' HG2' ' H ' ' A' ' 13' ' ' PHE . 37.6 tt0 63.75 178.71 0.16 Allowed 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 23' ' ' GLN . 21.2 p90 -107.64 162.1 14.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.85 0.357 . . . . 0.0 110.384 174.375 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -139.39 -30.15 0.73 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.281 178.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.617 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 6.4 m-85 -108.69 -175.75 2.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.38 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -165.64 100.26 0.69 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 43.0 t -52.99 126.44 43.13 Favored Pre-proline 0 N--CA 1.463 0.196 0 CA-C-O 120.724 0.297 . . . . 0.0 111.284 -177.102 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 17' ' ' CYS . 10.0 Cg_endo -54.78 -27.03 50.45 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.406 2.737 . . . . 0.0 112.953 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -100.82 -53.85 2.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.804 0.335 . . . . 0.0 111.68 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.462 ' HB2' HG12 ' A' ' 22' ' ' VAL . 63.7 m -76.28 -24.94 54.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.608 -173.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mt 65.42 4.94 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.986 -174.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.462 HG12 ' HB2' ' A' ' 20' ' ' CYS . 12.0 p -69.85 128.92 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 177.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.561 ' HB3' ' CD2' ' A' ' 13' ' ' PHE . 22.8 mt-30 -89.54 98.61 11.87 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.389 -175.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.528 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 20.2 p -89.39 162.8 15.59 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.837 -177.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.8 p -89.11 -26.17 21.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.845 0.355 . . . . 0.0 110.456 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.617 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 66.7 m -161.07 173.75 14.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.265 -177.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.95 -30.83 71.18 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.237 0.335 . . . . 0.0 111.18 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.456 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 1.4 tm-20 -54.09 -41.19 67.98 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.178 0.513 . . . . 0.0 110.192 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.593 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 33.4 m -84.68 -23.3 29.47 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.338 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.401 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 40.6 m -69.84 -34.44 73.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.881 0.372 . . . . 0.0 110.401 177.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.456 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 63.1 pttt -90.85 -2.55 57.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.222 0.534 . . . . 0.0 110.302 178.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.593 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 4.0 tptm -74.17 -41.75 60.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.452 -178.775 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.7 p80 -77.6 -15.2 59.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.786 -177.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.401 ' HE3' ' O ' ' A' ' 30' ' ' SER . 97.3 mttt -72.17 -19.64 61.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.029 0.442 . . . . 0.0 110.74 -173.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 32' ' ' LYS . 13.6 t -100.15 2.31 42.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.124 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -134.2 -27.57 1.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -109.49 -3.07 17.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.549 0.214 . . . . 0.0 110.925 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 61.81 95.13 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.755 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.7 t -161.11 152.36 18.87 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.056 -174.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.5 m -122.04 -19.64 6.56 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.442 0.639 . . . . 0.0 109.739 172.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.98 44.37 8.25 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.677 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -134.68 90.66 2.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.815 0.34 . . . . 0.0 110.591 -176.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.5 p -78.89 143.13 36.19 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.514 177.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -113.06 40.14 2.39 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.402 0.62 . . . . 0.0 109.814 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.5 t70 . . . . . 0 C--O 1.247 0.963 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.946 -178.664 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.597 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.4 143.99 71.95 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.611 2.207 . . . . 0.0 111.867 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 31.5 p-80 -84.83 68.09 10.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.756 0.788 . . . . 0.0 109.816 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.9 mtp -63.21 120.01 10.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.809 -176.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.18 154.73 50.36 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.958 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.68 131.37 66.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 71.6 mt -75.25 145.38 41.97 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.372 176.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 41.9 t -46.68 123.71 5.32 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.225 176.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.81 -22.23 64.11 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 121.219 -0.515 . . . . 0.0 113.429 -176.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 79.1 t -88.74 -66.6 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 122.719 -0.283 . . . . 0.0 111.587 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.544 ' SG ' HG13 ' A' ' 10' ' ' ILE . 19.8 p -91.29 -33.82 15.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.493 -174.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.96 54.12 37.51 Favored Glycine 0 C--O 1.235 0.191 0 C-N-CA 121.411 -0.423 . . . . 0.0 113.79 177.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.544 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.3 pp -127.74 -1.49 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.825 0.345 . . . . 0.0 111.514 176.627 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -165.18 172.77 12.1 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.339 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -61.39 147.75 43.88 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 123.607 0.567 . . . . 0.0 110.712 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -78.04 159.23 28.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.505 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -137.07 -14.66 1.55 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.282 0.563 . . . . 0.0 110.582 177.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.516 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 38.5 m-85 -124.67 175.76 7.0 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.571 -177.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 tttt -159.84 99.95 1.41 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 t -52.82 129.05 46.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 111.652 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.23 -23.93 72.45 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.109 2.539 . . . . 0.0 112.552 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -95.44 -56.23 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.281 0.562 . . . . 0.0 111.195 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.436 ' HB2' HG12 ' A' ' 22' ' ' VAL . 57.4 m -81.63 -22.91 37.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.605 -171.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 mt 62.3 15.93 8.05 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.836 -173.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.436 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.3 p -77.23 127.28 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.95 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 177.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 66.9 mt-30 -87.14 96.34 10.28 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.887 -177.157 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 15.0 p -88.93 159.38 17.68 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.873 -177.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 24.6 p -87.61 -25.34 23.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.315 -178.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.456 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 68.0 m -159.71 168.09 26.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.315 -177.077 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.47 -35.83 70.67 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.422 0.452 . . . . 0.0 111.222 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -56.68 -30.72 63.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.508 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.461 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 33.4 m -89.1 -26.22 21.47 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 120.786 0.327 . . . . 0.0 110.873 177.54 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.5 m -69.03 -33.96 74.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.063 0.458 . . . . 0.0 110.328 176.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -85.29 -13.94 48.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.634 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 17.4 tptp -66.94 -37.74 84.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.497 -176.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -83.25 -13.02 56.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.181 -177.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -72.74 -25.48 61.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.934 0.397 . . . . 0.0 110.978 -173.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.0 t -82.4 -0.42 45.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.183 -177.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -130.11 -15.61 3.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.685 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -110.8 -8.25 14.55 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.368 -177.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 62.58 27.31 16.15 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 122.604 1.192 . . . . 0.0 108.857 -173.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.2 t -85.56 147.23 26.52 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.076 -176.642 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.9 m -118.37 -13.67 9.79 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.128 0.49 . . . . 0.0 110.508 175.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.16 43.84 88.66 Favored Glycine 0 C--N 1.333 0.378 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.063 -178.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -143.82 89.87 2.09 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -176.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.5 p -83.09 25.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.48 0.657 . . . . 0.0 111.167 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 -140.46 32.37 1.88 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.229 -0.896 . . . . 0.0 108.984 176.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 C--O 1.247 0.972 0 CA-C-N 114.596 -1.183 . . . . 0.0 110.998 -178.767 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.92 138.35 57.09 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.687 2.258 . . . . 0.0 112.371 -178.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -87.56 53.71 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.47 0.653 . . . . 0.0 109.732 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptp -172.69 155.05 3.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.533 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.83 154.64 37.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.426 0.631 . . . . 0.0 111.524 -178.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.544 ' O ' ' HD1' ' A' ' 13' ' ' PHE . 50.4 t -129.05 141.59 46.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 173.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.693 HD22 ' HA ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -96.12 169.52 9.9 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.749 -0.78 . . . . 0.0 110.625 -175.196 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 34.5 t -48.94 128.75 16.43 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.794 -1.093 . . . . 0.0 111.405 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.42 -16.95 68.0 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.15 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.0 t -93.08 -59.3 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.653 ' SG ' HG13 ' A' ' 10' ' ' ILE . 20.4 p -107.24 -10.67 15.77 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 120.406 -0.517 . . . . 0.0 112.279 -174.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.455 ' O ' HD12 ' A' ' 4' ' ' LEU . . . 56.74 35.75 69.06 Favored Glycine 0 N--CA 1.464 0.521 0 CA-C-N 115.806 -0.633 . . . . 0.0 114.647 176.467 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.653 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.8 pp -138.25 162.13 30.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 117.141 0.471 . . . . 0.0 110.55 175.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 18.5 ptmt 59.44 20.29 8.66 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.956 1.303 . . . . 0.0 112.793 173.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.693 ' HA ' HD22 ' A' ' 4' ' ' LEU . 38.1 mt-10 65.12 152.53 0.05 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 122.093 0.949 . . . . 0.0 112.564 178.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.544 ' HD1' ' O ' ' A' ' 3' ' ' VAL . 8.4 p90 -77.77 154.41 31.98 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.428 175.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.419 ' NZ ' ' HB2' ' A' ' 14' ' ' LYS . 3.8 ttmp? -137.21 -27.6 0.96 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.339 0.59 . . . . 0.0 110.122 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.472 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 11.9 m-85 -114.05 -176.05 2.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.396 -177.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 35.5 ttpt -166.53 104.68 0.61 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.318 176.43 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 t -50.41 126.54 22.26 Favored Pre-proline 0 N--CA 1.462 0.17 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.667 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.0 -13.54 38.07 Favored 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 122.759 2.306 . . . . 0.0 112.62 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -106.37 -55.62 2.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.204 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.475 ' HB2' HG12 ' A' ' 22' ' ' VAL . 80.8 m -73.48 -25.07 60.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.865 0.364 . . . . 0.0 111.397 -176.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mt 64.74 13.9 8.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.482 -173.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.475 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.6 p -74.74 121.68 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.019 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.525 ' HB3' ' CG ' ' A' ' 13' ' ' PHE . 88.2 mt-30 -77.58 96.12 4.71 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.172 178.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.472 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 1.6 p -90.0 155.54 19.02 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.025 -177.055 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 30.2 p -82.18 -28.23 32.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.144 0.497 . . . . 0.0 110.508 -178.162 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.9 p -148.67 174.82 11.76 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.434 -176.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.445 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -69.39 -24.64 63.89 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 174.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -62.75 -50.83 69.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.534 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.2 m -69.23 -24.09 63.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.755 0.312 . . . . 0.0 110.688 177.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.49 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 37.5 m -70.71 -24.24 62.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.802 179.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -105.07 -7.44 19.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.966 0.412 . . . . 0.0 110.801 178.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -67.91 -42.43 81.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.513 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.9 p80 -72.42 -17.88 61.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HE3' ' O ' ' A' ' 30' ' ' SER . 96.7 mttt -72.2 -33.46 67.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.99 0.424 . . . . 0.0 110.604 -176.096 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 t -89.91 2.55 54.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.42 -172.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -130.14 -35.6 1.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.521 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -104.61 -6.24 20.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.897 0.379 . . . . 0.0 110.68 -175.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.7 t30 63.04 88.46 0.1 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.78 -177.337 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.6 t -137.83 137.7 38.41 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.144 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -85.78 -14.89 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.275 0.56 . . . . 0.0 110.265 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.472 ' HA3' ' HE2' ' A' ' 34' ' ' LYS . . . 55.57 37.54 67.83 Favored Glycine 0 C--N 1.336 0.582 0 CA-C-N 114.825 -1.08 . . . . 0.0 114.167 174.227 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -154.51 148.77 26.0 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.5 p -125.17 -43.69 1.93 Allowed 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.865 0.841 . . . . 0.0 109.945 176.005 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -151.14 38.35 0.65 Allowed 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 106.649 -1.612 . . . . 0.0 106.649 173.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--O 1.246 0.913 0 CA-C-N 113.651 -1.613 . . . . 0.0 110.409 -167.108 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.08 124.56 11.49 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.765 2.31 . . . . 0.0 111.58 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -84.34 -11.25 56.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.894 0.378 . . . . 0.0 110.624 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ptm -63.47 126.99 29.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.356 177.021 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.507 ' O ' ' HB ' ' A' ' 3' ' ' VAL . . . -166.01 173.32 10.52 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.253 -175.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.698 HG12 ' HD1' ' A' ' 13' ' ' PHE . 1.1 p 164.81 -176.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 -170.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.543 ' N ' HG13 ' A' ' 3' ' ' VAL . 57.2 mt -116.52 132.62 56.63 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 119.4 -0.92 . . . . 0.0 110.676 165.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 53.4 t -44.87 124.62 4.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.231 -1.349 . . . . 0.0 111.837 -178.389 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.59 -27.42 66.1 Favored Glycine 0 N--CA 1.452 -0.234 0 CA-C-N 115.797 -0.638 . . . . 0.0 113.345 -177.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 84.4 t -84.92 -65.43 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 111.792 0.294 . . . . 0.0 111.792 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.4 p -95.81 -31.85 12.97 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.223 -174.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.43 70.93 0.76 Allowed Glycine 0 N--CA 1.46 0.243 0 CA-C-N 116.32 -0.4 . . . . 0.0 113.979 177.413 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.54 HD12 ' N ' ' A' ' 11' ' ' LYS . 1.7 pp -138.25 -27.56 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 178.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.54 ' N ' HD12 ' A' ' 10' ' ' ILE . 22.2 ptmt -125.4 -64.83 1.05 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -175.656 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.565 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 38.1 tt0 176.7 167.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 -170.022 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.698 ' HD1' HG12 ' A' ' 3' ' ' VAL . 7.0 p90 -94.92 157.99 15.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.044 0.45 . . . . 0.0 110.95 174.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -140.32 -19.57 0.87 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.489 176.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.505 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 19.9 m-85 -126.85 -178.96 4.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.843 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 36.7 ttpt -166.42 97.63 0.59 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 178.003 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.7 t -45.21 125.18 5.63 Favored Pre-proline 0 N--CA 1.463 0.206 0 O-C-N 123.766 0.666 . . . . 0.0 111.835 -176.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 21.0 Cg_endo -63.57 -13.54 37.13 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.959 2.439 . . . . 0.0 112.625 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.408 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 68.9 mtt180 -98.45 -59.37 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.247 0.546 . . . . 0.0 110.698 175.059 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.434 ' HB2' HG12 ' A' ' 22' ' ' VAL . 58.8 m -82.02 -20.7 37.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.914 -170.056 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mt 63.07 16.73 9.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.762 -176.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 10.0 p -78.05 125.43 37.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-O 121.432 0.634 . . . . 0.0 109.675 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.531 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 48.3 mt-30 -79.51 94.96 5.7 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.011 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.505 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 12.3 p -90.5 156.13 18.4 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.852 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.8 p -86.54 -24.54 25.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.713 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.43 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 55.2 m -159.28 169.9 23.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.474 -177.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.2 mt -58.53 -32.79 69.18 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.339 0.399 . . . . 0.0 110.464 177.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -48.31 -49.86 32.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.774 174.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.532 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 24.6 m -79.49 -25.03 41.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.277 -178.462 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.413 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 61.0 m -67.52 -38.75 84.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.053 0.454 . . . . 0.0 110.414 178.247 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.465 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 63.8 pttt -87.01 -7.56 58.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.668 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.532 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 14.3 tptt -66.16 -45.76 79.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.653 -177.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -74.88 -15.07 60.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.04 0.448 . . . . 0.0 110.668 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HD2' ' HA ' ' A' ' 31' ' ' LYS . 91.0 mttt -76.87 -27.04 54.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.934 0.397 . . . . 0.0 110.594 -178.355 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 32' ' ' LYS . 6.0 t -94.29 -1.62 53.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.257 -175.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 11.9 ptp180 -128.62 -30.11 2.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.834 -177.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -115.77 -3.42 12.24 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.241 -0.287 . . . . 0.0 111.209 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.5 t30 61.93 104.48 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.998 0.811 . . . . 0.0 111.399 -177.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.408 ' SG ' ' HD2' ' A' ' 19' ' ' ARG . 44.8 t -149.88 133.83 17.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.321 -178.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.8 m -84.96 -19.34 32.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.162 0.506 . . . . 0.0 111.048 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 57.52 33.74 67.42 Favored Glycine 0 C--N 1.337 0.631 0 CA-C-N 115.279 -0.873 . . . . 0.0 113.874 175.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 43.6 tt0 -129.49 26.16 5.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.324 0.583 . . . . 0.0 109.966 -176.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER 69.75 -54.28 0.6 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.772 -178.582 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -53.51 127.92 26.99 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.363 0.414 . . . . 0.0 110.204 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.37 -0.824 . . . . 0.0 110.277 -177.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.707 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -64.03 114.79 2.78 Favored 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.57 2.18 . . . . 0.0 111.555 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -70.72 -29.61 65.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.458 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.6 mmm 55.96 -101.99 0.14 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.403 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.479 ' O ' ' HB ' ' A' ' 3' ' ' VAL . . . 66.61 171.0 0.24 Allowed 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.657 0.741 . . . . 0.0 111.274 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.74 HG12 ' HD1' ' A' ' 13' ' ' PHE . 1.0 OUTLIER 167.67 179.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 -170.374 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.46 ' N ' HG13 ' A' ' 3' ' ' VAL . 51.3 mt -119.93 129.07 54.16 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 119.734 -0.786 . . . . 0.0 109.752 163.348 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.509 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 53.6 t -35.64 118.7 0.5 Allowed 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 114.26 -1.336 . . . . 0.0 112.319 -177.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.8 -21.56 51.68 Favored Glycine 0 CA--C 1.518 0.249 0 CA-C-N 115.938 -0.574 . . . . 0.0 113.42 -176.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.9 t -88.94 -63.02 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -177.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.51 ' SG ' HG13 ' A' ' 10' ' ' ILE . 27.0 p -96.67 -22.01 17.26 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.463 0.649 . . . . 0.0 111.643 -173.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 59.46 39.11 94.47 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 114.915 -1.038 . . . . 0.0 115.062 173.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.519 HD12 ' HG2' ' A' ' 11' ' ' LYS . 2.5 pp -123.53 -14.64 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 118.095 0.947 . . . . 0.0 112.974 -178.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.519 ' HG2' HD12 ' A' ' 10' ' ' ILE . 21.2 ptmt -147.99 175.4 11.02 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.316 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -64.23 155.87 30.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.677 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.74 ' HD1' HG12 ' A' ' 3' ' ' VAL . 17.8 p90 -79.69 156.89 27.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.092 178.05 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -137.98 -13.33 1.43 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.166 175.279 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.529 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 36.8 m-85 -131.86 179.34 6.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.985 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 38.5 ttpt -167.11 100.05 0.53 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.209 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.3 t -51.41 124.41 24.2 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.45 ' HB2' HG23 ' A' ' 43' ' ' THR . 37.7 Cg_endo -65.68 -13.72 41.21 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.905 2.403 . . . . 0.0 112.21 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 42' ' ' GLN . 2.6 mtp180 -95.85 -57.19 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.278 0.561 . . . . 0.0 111.074 177.137 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.409 ' HB2' HG12 ' A' ' 22' ' ' VAL . 57.3 m -86.27 -13.14 47.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.448 -171.247 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.9 mt 56.99 22.22 7.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.145 -176.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 9.3 p -85.03 118.59 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-O 121.612 0.72 . . . . 0.0 110.05 -179.213 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.529 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 45.4 mt-30 -73.65 99.03 2.99 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.48 177.03 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 7.4 p -94.21 152.9 18.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.949 -177.082 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.509 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 25.7 p -79.08 -29.27 43.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.697 -177.705 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.427 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 63.1 m -159.49 174.13 15.14 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.368 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.7 mt -60.63 -33.35 72.65 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 122.977 0.173 . . . . 0.0 111.095 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -50.27 -45.2 54.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.115 0.483 . . . . 0.0 110.983 177.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.0 m -81.45 -28.49 34.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.103 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.531 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 21.8 t -68.07 -22.7 64.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.548 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -108.76 0.42 20.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.937 0.399 . . . . 0.0 110.842 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.476 ' O ' HG22 ' A' ' 35' ' ' THR . 44.9 tttp -77.12 -36.52 55.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.097 0.475 . . . . 0.0 110.492 -177.449 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -75.64 -18.78 59.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.618 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.531 ' HE3' ' O ' ' A' ' 30' ' ' SER . 98.0 mttt -68.11 -25.31 65.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.915 -174.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 32' ' ' LYS . 5.0 t -86.72 -2.56 58.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.514 -174.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -129.58 -29.29 2.19 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.624 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -100.96 -10.42 20.6 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.761 -178.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 62.65 84.17 0.15 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -174.566 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.6 t -139.21 138.15 36.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.266 -174.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 m -99.97 -17.46 17.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.404 0.621 . . . . 0.0 110.137 174.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.29 56.55 3.66 Favored Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.507 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 17.9 pt20 -154.62 152.68 30.28 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.45 HG23 ' HB2' ' A' ' 18' ' ' PRO . 1.2 p -73.79 154.0 39.73 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.918 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -74.18 77.18 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.595 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.41 -0.805 . . . . 0.0 109.976 178.937 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.874 -0.491 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -80.34 11.46 2.86 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.703 2.268 . . . . 0.0 112.624 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 61.26 34.49 18.62 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.103 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mmt -109.08 68.79 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.62 -178.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.25 147.27 40.42 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.208 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.426 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 71.9 t -123.82 137.6 56.36 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.183 -178.221 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.1 mt -77.74 152.12 33.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.64 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.547 ' HB3' ' H ' ' A' ' 9' ' ' GLY . 39.7 t -48.58 133.65 16.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.38 177.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.403 ' HA3' HG23 ' A' ' 22' ' ' VAL . . . -72.25 -21.74 79.16 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.779 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.1 t -90.62 -72.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.405 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.464 ' SG ' HG13 ' A' ' 10' ' ' ILE . 22.5 p -83.41 -36.11 24.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.469 0.652 . . . . 0.0 110.984 -174.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.547 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 70.02 28.93 71.1 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.029 -0.987 . . . . 0.0 114.61 172.418 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.464 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.4 pp -113.68 -10.95 12.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 117.76 0.78 . . . . 0.0 112.101 -177.494 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' N ' HD12 ' A' ' 10' ' ' ILE . 22.8 ptmt -145.68 169.15 19.04 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.212 178.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -63.71 149.96 45.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 123.714 0.634 . . . . 0.0 110.737 -177.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.426 ' CD1' ' HB ' ' A' ' 3' ' ' VAL . 13.0 p90 -77.92 164.52 25.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.015 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -146.69 -19.04 0.42 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.634 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.52 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 22.8 m-85 -125.58 170.99 10.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.449 -178.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -154.83 102.64 2.37 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.5 t -49.2 130.18 16.58 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.612 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -62.32 -18.13 61.03 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.948 2.432 . . . . 0.0 112.586 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -99.92 -43.48 6.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.418 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.502 ' HB2' HG12 ' A' ' 22' ' ' VAL . 44.7 m -101.53 -13.69 17.79 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -168.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 21' ' ' LEU . 1.1 mm? 55.54 6.5 0.18 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.368 0.604 . . . . 0.0 112.605 -178.411 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.502 HG12 ' HB2' ' A' ' 20' ' ' CYS . 9.0 p -65.05 118.17 6.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.832 175.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.482 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 64.6 mt-30 -75.98 91.84 3.09 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.547 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.52 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 5.4 p -86.31 151.92 23.18 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.905 -176.648 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 28.3 p -81.66 -28.22 33.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.65 -176.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.438 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 58.6 m -159.67 168.07 26.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.785 -178.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.09 -29.54 65.54 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.963 0.411 . . . . 0.0 111.192 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -53.43 -41.22 65.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.987 175.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 18.6 m -85.57 -24.54 27.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.917 178.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.462 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 9.3 m -66.27 -28.19 68.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.4 178.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -97.92 -11.37 23.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' O ' HG22 ' A' ' 35' ' ' THR . 55.2 tptt -61.78 -41.75 98.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.133 0.492 . . . . 0.0 110.663 -176.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -78.7 -8.47 58.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.235 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.462 ' HE3' ' O ' ' A' ' 30' ' ' SER . 98.3 mttt -79.95 -34.2 38.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.977 0.418 . . . . 0.0 110.609 -174.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 32' ' ' LYS . 13.3 t -74.42 -20.83 59.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.843 -178.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -103.28 -35.26 8.5 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -115.02 10.34 16.21 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.766 -174.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 55.56 41.61 30.51 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.235 175.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t -89.81 150.15 22.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.995 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.6 p -99.98 -19.31 16.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.136 0.493 . . . . 0.0 110.876 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.6 29.76 59.15 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.839 -0.695 . . . . 0.0 111.912 -176.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -140.86 129.15 22.33 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -55.33 17.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.518 0.511 . . . . 0.0 111.776 -167.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -131.81 -58.91 0.96 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 174.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 C--O 1.245 0.841 0 CA-C-N 115.278 -0.873 . . . . 0.0 109.354 176.503 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.11 91.25 0.84 Allowed 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.446 2.097 . . . . 0.0 111.935 177.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -81.28 54.83 2.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.718 0.77 . . . . 0.0 110.564 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -147.98 -178.36 6.24 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.119 -0.946 . . . . 0.0 108.876 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.06 133.0 41.69 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 121.266 0.555 . . . . 0.0 109.711 175.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.456 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 99.1 t -108.55 127.6 64.85 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.792 -176.273 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.9 mt -74.91 149.03 39.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.179 174.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.515 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 49.3 t -47.53 129.27 13.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.796 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.29 -19.76 74.51 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.891 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 82.3 t -91.33 -69.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 122.679 -0.306 . . . . 0.0 111.575 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.514 ' SG ' HG13 ' A' ' 10' ' ' ILE . 26.6 p -88.29 -31.27 19.06 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.401 0.62 . . . . 0.0 111.396 -173.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.402 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 65.8 34.46 88.78 Favored Glycine 0 C--N 1.332 0.334 0 CA-C-N 115.055 -0.975 . . . . 0.0 114.645 172.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.514 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.5 pp -117.75 -3.41 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 117.715 0.757 . . . . 0.0 112.688 -178.41 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -161.2 172.91 15.89 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.666 178.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -63.48 151.2 41.92 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.673 0.608 . . . . 0.0 111.112 -175.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.456 ' CD1' ' HB ' ' A' ' 3' ' ' VAL . 13.1 p90 -79.28 160.62 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.771 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -140.72 -27.17 0.73 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.939 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.567 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 3.2 m-85 -111.31 174.72 5.73 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.269 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -160.81 102.87 1.32 Allowed 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.0 t -50.49 125.56 20.88 Favored Pre-proline 0 C--N 1.331 -0.225 0 O-C-N 123.391 0.432 . . . . 0.0 110.855 -177.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -63.57 -13.5 36.89 Favored 'Trans proline' 0 C--N 1.34 0.11 0 C-N-CA 122.802 2.335 . . . . 0.0 112.229 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -108.09 -44.87 4.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.791 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.426 ' HB2' HG12 ' A' ' 22' ' ' VAL . 64.5 m -90.13 -22.53 21.71 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.411 -176.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 mt 65.44 9.95 6.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.247 -175.402 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.426 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.6 p -73.67 121.1 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-O 121.671 0.748 . . . . 0.0 109.748 178.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -77.66 103.52 7.65 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.881 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.567 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 2.8 p -97.93 151.95 19.73 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.848 -175.423 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.515 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 32.0 p -74.39 -31.73 62.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.816 -177.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.552 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 73.9 m -160.93 170.98 19.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.991 -175.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.5 tp -60.48 -30.65 69.83 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.431 0.457 . . . . 0.0 110.736 -174.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -52.94 -45.88 67.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.952 176.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.9 m -79.22 -27.4 42.49 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.222 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.498 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 5.1 m -66.32 -30.42 70.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.357 177.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -98.52 -7.73 27.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.703 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.57 ' O ' HG22 ' A' ' 35' ' ' THR . 52.1 tttm -73.75 -42.51 61.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.087 -175.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 4.7 p80 -69.69 -9.96 56.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.156 0.503 . . . . 0.0 110.661 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HE3' ' O ' ' A' ' 30' ' ' SER . 94.7 mttt -76.93 -17.46 58.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.957 -176.236 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 32' ' ' LYS . 7.2 t -86.73 -14.05 43.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.042 0.449 . . . . 0.0 110.84 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -108.67 -37.58 5.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -99.14 -13.42 19.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 0.0 111.296 -177.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 t30 66.69 15.88 10.24 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.703 0.764 . . . . 0.0 110.063 -177.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.4 t -59.0 138.76 57.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.328 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.9 t -80.41 -29.09 37.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.565 0.698 . . . . 0.0 110.234 176.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.472 ' HA3' ' HE2' ' A' ' 34' ' ' LYS . . . 69.05 33.28 74.02 Favored Glycine 0 C--N 1.332 0.322 0 CA-C-N 115.091 -0.959 . . . . 0.0 113.513 176.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -155.85 140.45 16.93 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.5 p -132.27 154.72 49.38 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 175.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -111.0 98.39 7.52 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.29 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.326 -174.796 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' -1' ' ' PRO . . . . . 0.411 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 61.1 Cg_endo -73.0 167.56 27.05 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.362 2.041 . . . . 0.0 111.896 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -117.72 46.85 1.66 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.248 0.547 . . . . 0.0 110.167 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.411 ' HG3' ' HB2' ' A' ' -1' ' ' PRO . 61.8 mtm -71.19 -39.01 72.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.094 -178.091 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.78 168.29 10.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.993 178.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.478 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 84.4 t -128.13 136.76 59.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.076 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.6 mt -76.49 148.61 37.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.311 0.577 . . . . 0.0 110.732 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 41.9 t -52.27 127.58 22.49 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.885 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.9 -21.53 69.59 Favored Glycine 0 CA--C 1.517 0.211 0 CA-C-N 115.971 -0.558 . . . . 0.0 113.262 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.0 t -89.14 -64.21 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.629 ' SG ' HG13 ' A' ' 10' ' ' ILE . 26.8 p -95.47 -34.68 11.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.358 0.599 . . . . 0.0 111.121 -174.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.425 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 70.5 23.77 77.33 Favored Glycine 0 C--O 1.228 -0.27 0 CA-C-N 115.194 -0.912 . . . . 0.0 114.396 174.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.629 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.4 pp -106.44 -12.52 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 117.626 0.713 . . . . 0.0 112.275 -176.435 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.723 ' HE3' ' SG ' ' A' ' 25' ' ' CYS . 14.8 pttp -151.08 170.09 20.23 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 177.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -56.38 158.17 4.47 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.889 0.743 . . . . 0.0 111.989 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.478 ' CD1' ' HB ' ' A' ' 3' ' ' VAL . 14.0 p90 -85.45 163.26 18.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.037 178.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -146.6 -22.4 0.42 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.006 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.548 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 10.8 m-85 -121.55 166.29 14.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.237 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -149.44 104.38 3.37 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.0 t -53.84 125.83 48.43 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.996 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.88 -17.48 51.1 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.097 2.531 . . . . 0.0 112.891 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -101.77 -47.02 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.929 0.395 . . . . 0.0 111.505 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.5 m -91.16 -18.04 25.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.009 0.433 . . . . 0.0 111.701 -172.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt 59.7 16.97 5.89 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.292 -177.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 p -79.29 121.87 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 CA-C-O 121.567 0.699 . . . . 0.0 110.005 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 49.9 mt-30 -74.97 95.51 3.01 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.657 177.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.548 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 2.5 p -93.14 148.26 22.17 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.747 -176.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.723 ' SG ' ' HE3' ' A' ' 11' ' ' LYS . 31.0 p -75.86 -29.96 58.74 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.627 -176.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.449 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 67.4 m -159.37 169.78 23.23 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.689 -176.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -60.81 -30.69 70.23 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -178.251 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -52.22 -41.13 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.389 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.434 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 11.4 m -84.26 -24.96 29.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.74 0.305 . . . . 0.0 110.99 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.468 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 12.2 m -66.81 -36.36 82.19 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 176.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -6.41 57.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.863 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.488 ' O ' HG22 ' A' ' 35' ' ' THR . 23.1 tptm -69.5 -45.07 69.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.61 -178.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -75.31 -13.51 60.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.373 . . . . 0.0 111.233 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.468 ' HE3' ' O ' ' A' ' 30' ' ' SER . 96.9 mttt -75.58 -25.77 57.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.707 0.289 . . . . 0.0 110.981 -173.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 32' ' ' LYS . 14.1 t -83.87 -1.63 54.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.337 -177.413 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -132.43 -2.3 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.643 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -128.51 -8.49 5.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.824 0.345 . . . . 0.0 110.791 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 67.26 14.16 9.63 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.972 -177.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.7 t -67.28 149.06 50.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.134 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.3 m -109.87 -12.83 14.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.362 0.601 . . . . 0.0 110.357 175.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.95 42.86 59.17 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.34 -0.846 . . . . 0.0 112.689 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -159.59 136.78 9.61 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.1 p -118.49 7.53 11.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.281 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.8 t60 69.26 -60.49 0.46 Allowed 'General case' 0 N--CA 1.466 0.362 0 O-C-N 123.792 0.683 . . . . 0.0 109.267 -171.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.3 t70 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.726 -0.654 . . . . 0.0 109.328 173.266 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.851 -0.5 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -82.48 26.07 0.65 Allowed 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 123.19 2.593 . . . . 0.0 112.101 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 58.27 35.36 24.86 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.052 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 63.7 mtt -85.62 114.34 22.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.663 178.713 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . 74.6 172.6 0.28 Allowed 'General case' 0 C--O 1.237 0.406 0 O-C-N 124.07 0.857 . . . . 0.0 110.677 -177.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.645 HG12 ' HD1' ' A' ' 13' ' ' PHE . 1.3 p 170.65 -173.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 -169.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.567 ' N ' HG13 ' A' ' 3' ' ' VAL . 59.1 mt -123.27 134.13 54.12 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.159 161.746 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.481 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 42.2 t -41.8 125.62 2.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.076 -1.42 . . . . 0.0 112.444 -177.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.87 -19.07 65.07 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.428 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.0 t -91.75 -63.68 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.527 ' SG ' HG13 ' A' ' 10' ' ' ILE . 27.8 p -94.29 -22.78 18.15 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.315 0.579 . . . . 0.0 111.449 -173.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.04 34.77 89.2 Favored Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.029 -0.987 . . . . 0.0 114.824 173.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.527 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.6 pp -122.69 -10.38 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 118.302 1.051 . . . . 0.0 113.442 -177.311 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -154.21 175.81 13.03 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.572 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -60.94 155.56 19.6 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.689 0.757 . . . . 0.0 112.403 -178.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.645 ' HD1' HG12 ' A' ' 3' ' ' VAL . 7.9 p90 -83.98 155.39 22.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.819 176.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -139.01 -12.07 1.25 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.515 176.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.431 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 44.2 m-85 -132.37 172.38 12.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.318 -179.273 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -155.42 102.48 2.26 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.9 t -48.71 127.24 13.7 Favored Pre-proline 0 C--O 1.225 -0.226 0 O-C-N 123.35 0.406 . . . . 0.0 111.258 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 29.6 Cg_endo -64.96 -16.04 53.44 Favored 'Trans proline' 0 CA--C 1.526 0.122 0 C-N-CA 122.616 2.211 . . . . 0.0 112.237 178.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.484 ' HD3' ' O ' ' A' ' 40' ' ' SER . 49.0 mtp180 -102.08 -47.6 4.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.482 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.474 ' HB2' HG12 ' A' ' 22' ' ' VAL . 64.4 m -89.6 -20.65 23.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.199 0.523 . . . . 0.0 111.47 -175.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt 61.19 18.87 9.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.447 -172.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.474 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.8 p -80.03 123.51 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-O 121.623 0.725 . . . . 0.0 110.241 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 45.2 mt-30 -73.92 102.28 4.05 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.568 -1.196 . . . . 0.0 109.687 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.431 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 1.5 p -100.49 148.64 24.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.732 -176.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.481 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 28.5 p -76.16 -31.26 58.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.959 -175.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -161.09 170.57 20.18 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.011 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.4 mt -56.89 -30.46 63.93 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.365 0.415 . . . . 0.0 111.244 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.487 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 10.8 tp10 -51.21 -43.77 61.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.851 176.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 19.0 m -86.29 -25.51 25.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.154 -179.433 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.582 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 13.5 m -64.94 -33.64 76.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.898 0.38 . . . . 0.0 110.017 178.58 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.487 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 65.3 pttt -96.37 -10.93 26.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.183 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 23.7 tptp -62.31 -45.17 94.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.841 -176.719 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 3.0 p80 -77.19 -12.57 59.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.057 -177.523 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.582 ' HE3' ' O ' ' A' ' 30' ' ' SER . 96.1 mttt -74.77 -35.42 62.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.894 0.378 . . . . 0.0 110.525 -174.378 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.6 t -78.36 -11.57 59.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.548 -176.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -114.74 -22.12 9.85 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -176.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -121.95 7.82 9.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.645 0.26 . . . . 0.0 111.567 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 58.62 43.43 19.04 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.241 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 40' ' ' SER . 40.9 t -99.02 168.99 9.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.318 0.58 . . . . 0.0 110.941 -177.048 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.484 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 34.6 p -146.94 176.91 9.54 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.067 -0.969 . . . . 0.0 108.912 176.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.65 53.35 0.73 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.298 -0.953 . . . . 0.0 111.267 175.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -133.63 63.57 1.63 Allowed 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 120.993 0.425 . . . . 0.0 110.819 -174.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.401 ' OG1' ' HB2' ' A' ' 18' ' ' PRO . 22.9 p -84.7 -39.4 18.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.545 0.688 . . . . 0.0 109.538 175.384 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -112.42 67.75 0.66 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.931 175.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.8 t70 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.243 -0.884 . . . . 0.0 109.976 -177.984 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 111.661 -0.576 . . . . 0.0 111.661 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -78.86 35.48 0.56 Allowed 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.838 2.359 . . . . 0.0 112.679 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 51.5 53.55 12.59 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-O 121.497 0.665 . . . . 0.0 109.833 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.5 mmm -139.19 149.49 44.46 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.191 -177.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.507 ' O ' ' HB ' ' A' ' 3' ' ' VAL . . . -156.65 172.21 18.98 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -177.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.72 HG12 ' HD2' ' A' ' 13' ' ' PHE . 1.5 p 168.02 -177.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 -171.657 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.477 ' N ' HG13 ' A' ' 3' ' ' VAL . 41.6 mt -118.15 133.83 55.55 Favored 'General case' 0 N--CA 1.438 -1.073 0 C-N-CA 119.824 -0.751 . . . . 0.0 109.339 160.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.544 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 41.7 t -40.85 127.06 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.425 -176.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.43 -25.59 68.74 Favored Glycine 0 CA--C 1.519 0.299 0 CA-C-N 115.584 -0.735 . . . . 0.0 113.514 -175.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.1 t -86.18 -63.52 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 117.027 0.414 . . . . 0.0 111.818 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.698 ' SG ' HG13 ' A' ' 10' ' ' ILE . 30.8 p -89.75 -12.74 38.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.959 0.409 . . . . 0.0 111.26 -174.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.68 18.13 80.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.142 -0.552 . . . . 0.0 114.057 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.698 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.8 pp -134.14 158.19 42.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-N 117.856 0.828 . . . . 0.0 110.843 -178.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER 55.57 160.25 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.205 1.402 . . . . 0.0 113.359 179.127 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.425 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 28.1 mt-10 -68.39 146.72 52.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.983 179.013 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.72 ' HD2' HG12 ' A' ' 3' ' ' VAL . 17.3 p90 -69.94 156.45 39.09 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.865 -176.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -132.59 -20.19 2.33 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.835 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.482 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 32.2 m-85 -128.14 179.69 5.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.223 -178.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -163.05 102.87 0.99 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 t -45.28 124.86 5.7 Favored Pre-proline 0 N--CA 1.465 0.295 0 O-C-N 123.472 0.482 . . . . 0.0 111.024 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.85 -15.92 41.24 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.987 2.458 . . . . 0.0 112.3 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -105.03 -58.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.449 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' CYS . . . . . 0.467 ' HB2' HG12 ' A' ' 22' ' ' VAL . 74.8 m -72.3 -26.09 61.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.176 0.512 . . . . 0.0 111.259 -176.221 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mt 65.61 14.95 9.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.414 -174.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.467 HG12 ' HB2' ' A' ' 20' ' ' CYS . 13.1 p -76.79 120.22 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-O 121.611 0.72 . . . . 0.0 109.455 178.166 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . 0.459 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 97.7 mt-30 -76.5 101.23 5.54 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.181 179.17 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.482 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 4.0 p -92.9 159.74 15.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.253 -177.665 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 27.4 p -86.05 -27.17 24.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.633 -177.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.409 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 18.8 m -156.42 177.54 11.34 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.59 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.79 -33.58 75.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.55 0.214 . . . . 0.0 110.704 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -52.55 -53.39 46.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.507 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 15.5 m -69.21 -25.52 64.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.502 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.431 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 41.8 m -70.61 -35.83 73.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.917 0.389 . . . . 0.0 110.329 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 22.1 pttp -94.84 -7.74 39.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.029 0.442 . . . . 0.0 110.757 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.507 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 17.4 mttm -63.39 -45.31 91.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.242 177.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 1.7 p80 -76.18 -17.29 59.61 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.085 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HD2' ' HA ' ' A' ' 31' ' ' LYS . 95.4 mttt -75.65 -33.85 60.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.018 0.437 . . . . 0.0 110.439 -178.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 32' ' ' LYS . 10.5 t -82.81 -2.45 54.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.615 -174.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -130.85 -32.5 1.65 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.762 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -103.15 0.78 32.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.266 0.555 . . . . 0.0 109.952 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 61.57 34.03 18.02 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.945 176.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 40' ' ' SER . 42.5 t -85.64 170.07 12.89 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.027 176.738 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.447 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 7.8 t -153.54 152.2 30.66 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 173.23 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.88 62.85 4.16 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.601 -178.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -129.33 96.79 4.39 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -178.681 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.01 95.44 0.71 Allowed 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.186 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -98.35 42.44 1.1 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.82 -176.584 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.527 -0.749 . . . . 0.0 109.891 179.59 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.45 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 61.5 t . . . . . 0 N--CA 1.45 -0.437 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.7 mt -80.59 155.12 27.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.122 0.487 . . . . 0.0 111.026 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.549 ' HB3' ' H ' ' A' ' 9' ' ' GLY . 52.1 t -56.16 124.36 17.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.31 176.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.425 ' HA3' HG23 ' A' ' 22' ' ' VAL . . . -63.11 -21.26 63.67 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.119 -0.562 . . . . 0.0 113.161 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.9 t -90.59 -63.65 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.845 0.323 . . . . 0.0 111.722 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.7 p -99.3 -30.59 12.15 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.403 -173.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.549 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 47.95 63.81 3.35 Favored Glycine 0 N--CA 1.463 0.435 0 N-CA-C 114.477 0.551 . . . . 0.0 114.477 175.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.429 HD12 ' HG2' ' A' ' 11' ' ' LYS . 1.9 pp -136.08 10.28 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.429 ' HG2' HD12 ' A' ' 10' ' ' ILE . 13.6 ptmm? -158.96 -66.72 0.08 Allowed 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.664 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.428 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 37.2 tt0 -177.31 175.26 1.5 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -175.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.45 ' CD1' ' HB ' ' A' ' 3' ' ' VAL . 15.7 p90 -107.55 165.49 11.38 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.792 0.33 . . . . 0.0 110.402 173.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -143.9 -19.0 0.58 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.244 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.569 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 31.6 m-85 -125.85 178.09 5.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.486 -178.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -160.4 104.13 1.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.7 t -53.69 130.96 55.96 Favored Pre-proline 0 CA--C 1.53 0.192 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.385 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.51 -19.06 67.07 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.142 2.562 . . . . 0.0 112.715 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.532 ' NH1' ' HA ' ' A' ' 39' ' ' CYS . 39.1 mtp180 -100.92 -56.11 2.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.226 0.536 . . . . 0.0 111.412 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.481 ' HB2' HG12 ' A' ' 22' ' ' VAL . 57.0 m -80.44 -18.46 48.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.277 -171.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 mt 60.38 13.04 3.78 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.752 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.481 HG12 ' HB2' ' A' ' 20' ' ' CYS . 12.6 p -75.36 121.92 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.551 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.535 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 25.0 mt-30 -82.4 92.93 7.1 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.814 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.569 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 21.7 p -85.78 157.0 20.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.026 -176.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.461 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 31.4 p -83.97 -24.35 30.67 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.481 -178.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.4 m -159.01 169.46 24.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.978 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.96 -28.85 69.28 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.411 0.444 . . . . 0.0 110.454 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.467 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . 36.1 tt0 -59.86 -38.29 81.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.316 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.5 m -80.63 -26.14 37.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.742 0.305 . . . . 0.0 110.584 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.414 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 53.3 m -68.18 -42.16 80.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.965 0.412 . . . . 0.0 110.308 175.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.467 ' HE3' ' HA ' ' A' ' 28' ' ' GLU . 21.5 pttp -81.31 -7.06 59.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.857 0.36 . . . . 0.0 110.726 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -76.14 -42.57 46.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -74.12 -19.7 60.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.028 0.442 . . . . 0.0 111.13 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 30' ' ' SER . 91.6 mttt -69.83 -32.04 70.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.475 -172.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.9 t -82.99 -5.67 59.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.57 -172.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -126.81 -30.07 2.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.307 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -102.95 -0.98 30.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.625 -176.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 61.24 70.27 0.62 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.981 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.532 ' HA ' ' NH1' ' A' ' 19' ' ' ARG . 49.3 t . . . . . 0 C--N 1.32 -0.706 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.551 -176.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.407 ' O ' ' HD1' ' A' ' 13' ' ' PHE . 97.1 t . . . . . 0 N--CA 1.45 -0.46 0 CA-C-O 120.73 0.3 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.517 HD23 ' H ' ' A' ' 12' ' ' GLU . 42.8 mt -80.36 155.18 27.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.117 0.484 . . . . 0.0 111.071 178.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 53.9 t -56.2 126.14 24.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.831 178.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.88 -16.84 66.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.142 -178.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.2 t -93.11 -59.03 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.6 p -107.33 -20.03 13.4 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.671 -174.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 44.75 59.97 4.06 Favored Glycine 0 N--CA 1.465 0.604 0 N-CA-C 114.992 0.757 . . . . 0.0 114.992 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -142.02 -7.23 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.753 ' HE2' ' SG ' ' A' ' 25' ' ' CYS . 54.1 pttt -152.72 44.83 0.68 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.529 -0.469 . . . . 0.0 112.228 -176.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.517 ' H ' HD23 ' A' ' 4' ' ' LEU . 2.6 mp0 60.66 -172.13 0.14 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.038 0.447 . . . . 0.0 111.217 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.408 ' CB ' ' HB3' ' A' ' 23' ' ' GLN . 16.9 p90 -116.0 164.18 14.82 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.27 176.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -141.71 -19.56 0.75 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.651 175.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.555 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 12.4 m-85 -122.6 179.39 4.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.181 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -164.57 95.48 0.73 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 175.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.9 t -47.4 126.96 9.93 Favored Pre-proline 0 N--CA 1.464 0.237 0 O-C-N 123.622 0.576 . . . . 0.0 111.185 -176.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -61.73 -18.41 60.27 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.89 2.393 . . . . 0.0 112.478 -177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -99.27 -54.08 3.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.175 0.512 . . . . 0.0 110.916 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.42 ' HB2' HG12 ' A' ' 22' ' ' VAL . 61.1 m -82.44 -21.77 35.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.851 -171.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.1 mt 62.32 15.9 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.977 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.42 HG12 ' HB2' ' A' ' 20' ' ' CYS . 11.2 p -79.69 122.24 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.475 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.546 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 48.0 mt-30 -77.99 93.01 4.38 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.071 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.555 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 13.1 p -86.09 153.65 21.94 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.871 -178.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.753 ' SG ' ' HE2' ' A' ' 11' ' ' LYS . 27.9 p -76.01 -32.11 59.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.094 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.52 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 49.8 m -160.14 174.91 13.57 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.143 -176.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -64.57 -29.29 70.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.758 0.313 . . . . 0.0 110.447 -176.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -59.64 -30.94 69.07 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.838 0.351 . . . . 0.0 111.008 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.459 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 4.6 m -88.57 -27.49 21.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.741 0.305 . . . . 0.0 110.777 176.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.413 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 57.8 m -64.66 -36.05 83.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.955 0.407 . . . . 0.0 109.978 175.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -84.57 -10.48 57.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.862 0.363 . . . . 0.0 110.747 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.459 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 23.0 tptp -69.97 -41.13 74.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.451 -177.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -77.61 -15.27 59.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.299 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 30' ' ' SER . 96.3 mttt -72.11 -19.86 61.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.342 -171.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.7 t -98.46 5.22 48.21 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.247 -176.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -135.84 -27.19 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.692 0.282 . . . . 0.0 111.577 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -104.73 -3.51 23.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.677 0.275 . . . . 0.0 110.806 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.1 t30 57.47 84.83 0.09 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.514 -176.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.321 -0.645 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.968 -172.562 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.42 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 78.5 t . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 120.675 0.274 . . . . 0.0 110.65 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.0 mt -73.1 140.73 47.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.212 173.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 49.8 t -45.35 120.41 2.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.35 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.62 -21.56 62.92 Favored Glycine 0 N--CA 1.453 -0.204 0 CA-C-N 116.046 -0.525 . . . . 0.0 113.156 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 81.6 t -87.76 -67.22 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -178.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.515 ' SG ' HG13 ' A' ' 10' ' ' ILE . 25.0 p -91.2 -30.42 16.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.287 0.565 . . . . 0.0 111.365 -172.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 66.7 34.68 88.16 Favored Glycine 0 C--N 1.332 0.315 0 CA-C-N 115.213 -0.903 . . . . 0.0 114.572 172.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.515 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.4 pp -117.65 -10.33 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 117.968 0.884 . . . . 0.0 112.63 -178.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.484 ' HG2' HD12 ' A' ' 10' ' ' ILE . 19.3 ptpt -155.41 171.51 19.77 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 177.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -65.43 161.49 19.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.473 0.654 . . . . 0.0 111.048 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CG ' ' HB3' ' A' ' 23' ' ' GLN . 25.5 p90 -85.12 166.37 16.68 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.887 -176.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -139.57 -15.11 1.07 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.942 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.477 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 38.8 m-85 -127.65 172.62 10.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.466 -178.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -156.27 99.34 1.92 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.0 t -50.6 131.46 27.23 Favored Pre-proline 0 N--CA 1.464 0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.997 -175.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -62.48 -21.17 72.45 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.417 2.745 . . . . 0.0 112.915 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -102.47 -52.5 3.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.132 0.491 . . . . 0.0 111.095 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.427 ' HB2' HG12 ' A' ' 22' ' ' VAL . 56.0 m -83.0 -21.76 33.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.656 -172.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.1 mt 64.28 5.84 2.73 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.173 -174.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.427 HG12 ' HB2' ' A' ' 20' ' ' CYS . 12.5 p -69.67 128.66 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 CA-C-O 121.762 0.791 . . . . 0.0 109.841 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.561 ' HB3' ' CG ' ' A' ' 13' ' ' PHE . 41.4 mt-30 -85.69 105.84 16.53 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 114.484 -1.234 . . . . 0.0 109.706 -178.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.477 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 3.4 p -101.79 148.5 25.21 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.05 -175.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.513 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 21.0 p -77.59 -24.54 49.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.958 -174.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.9 m -159.28 168.15 27.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.16 -178.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -61.62 -30.94 71.02 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.366 0.416 . . . . 0.0 110.13 -176.706 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.46 -47.22 73.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.676 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.43 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 51.3 m -75.53 -26.93 58.47 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.562 178.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.452 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 11.8 m -65.5 -26.29 67.85 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.953 0.406 . . . . 0.0 110.481 178.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -109.56 -2.06 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.124 0.488 . . . . 0.0 110.87 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 27.9 tptp -66.71 -42.1 86.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.28 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -74.51 -12.71 60.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.168 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HE3' ' O ' ' A' ' 30' ' ' SER . 98.6 mttt -74.71 -23.85 58.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.807 0.336 . . . . 0.0 110.935 -174.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 32' ' ' LYS . 10.8 t -94.91 -2.39 50.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.05 -176.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -121.59 -44.78 2.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.413 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -100.32 -0.48 38.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.833 -176.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 60.57 91.86 0.05 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.469 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.2 t . . . . . 0 C--N 1.317 -0.841 0 CA-C-O 121.124 0.488 . . . . 0.0 110.928 -175.747 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 N--CA 1.449 -0.519 0 CA-C-O 120.753 0.311 . . . . 0.0 110.445 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.1 mt -79.43 153.64 29.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.922 175.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 41.8 t -49.84 129.8 20.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.38 178.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.13 -17.01 73.5 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.912 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.0 t -93.46 -70.86 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 122.836 -0.214 . . . . 0.0 111.456 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.553 ' SG ' HG13 ' A' ' 10' ' ' ILE . 25.5 p -88.04 -35.31 17.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.323 0.582 . . . . 0.0 110.904 -174.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.499 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 69.58 24.58 76.15 Favored Glycine 0 C--O 1.226 -0.376 0 CA-C-N 115.216 -0.902 . . . . 0.0 114.736 172.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.553 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.3 pp -102.16 -16.14 7.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 117.82 0.81 . . . . 0.0 111.819 -176.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.517 ' N ' HD12 ' A' ' 10' ' ' ILE . 6.4 ptpp? -146.98 177.67 8.96 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 175.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -61.98 167.42 3.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.579 0.704 . . . . 0.0 111.783 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.411 ' CG ' ' HB3' ' A' ' 23' ' ' GLN . 18.1 p90 -93.2 164.66 13.16 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.372 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -145.64 -23.31 0.47 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.831 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.565 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 17.8 m-85 -116.63 179.69 3.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.96 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -166.76 94.9 0.51 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.0 t -46.22 124.44 7.06 Favored Pre-proline 0 C--O 1.226 -0.153 0 O-C-N 123.766 0.666 . . . . 0.0 111.125 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -67.14 -10.15 27.58 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.556 2.171 . . . . 0.0 111.856 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' HB3' ' HE ' ' A' ' 19' ' ' ARG . 16.3 mtp180 -102.36 -47.68 4.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.406 177.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.408 ' HB2' HG12 ' A' ' 22' ' ' VAL . 80.3 m -92.19 -25.31 18.73 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -174.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.7 mt 70.58 6.34 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.127 -173.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.408 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.6 p -68.93 125.61 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-O 121.603 0.716 . . . . 0.0 110.149 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.411 ' HB3' ' CG ' ' A' ' 13' ' ' PHE . 45.5 mt-30 -79.21 96.27 5.86 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.954 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.565 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 8.2 p -91.84 154.4 18.92 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.062 -177.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 31.5 p -80.26 -31.45 38.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.449 -178.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.554 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 59.8 m -160.08 177.45 10.7 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 -176.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.67 -31.59 72.5 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.19 0.306 . . . . 0.0 111.409 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -53.59 -43.34 68.5 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.332 0.587 . . . . 0.0 111.803 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.448 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 19.4 m -83.7 -23.6 31.6 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.622 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.579 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 8.5 t -68.69 -29.72 68.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.59 177.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 17.5 ptpt -96.15 -13.61 23.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.625 178.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.549 ' O ' HG22 ' A' ' 35' ' ' THR . 51.2 tptt -63.03 -45.11 93.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.102 -174.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -74.7 -14.33 60.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.978 0.418 . . . . 0.0 110.733 -177.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.579 ' HE3' ' O ' ' A' ' 30' ' ' SER . 94.5 mttt -74.93 -32.83 61.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.073 0.463 . . . . 0.0 110.486 -177.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 32' ' ' LYS . 7.1 t -84.58 2.32 41.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.181 -175.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -126.39 -38.67 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.492 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -109.41 0.78 19.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -177.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.1 t30 58.38 87.51 0.07 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.982 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.1 t . . . . . 0 C--N 1.319 -0.721 0 CA-C-O 121.2 0.524 . . . . 0.0 111.04 -175.996 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.801 HG12 ' HD2' ' A' ' 13' ' ' PHE . 1.4 p . . . . . 0 N--CA 1.443 -0.776 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.451 ' N ' HG13 ' A' ' 3' ' ' VAL . 65.9 mt -116.76 129.23 55.98 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 162.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 41.5 t -36.01 120.44 0.62 Allowed 'General case' 0 C--O 1.222 -0.381 0 O-C-N 124.659 1.224 . . . . 0.0 112.538 -178.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.15 -23.41 52.46 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 113.948 -174.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.5 t -86.64 -62.69 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -178.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.457 ' SG ' HG13 ' A' ' 10' ' ' ILE . 21.6 p -97.77 -23.74 15.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.955 -173.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 50.5 66.95 2.11 Favored Glycine 0 C--O 1.235 0.192 0 CA-C-N 116.17 -0.468 . . . . 0.0 114.146 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.553 HD12 ' N ' ' A' ' 11' ' ' LYS . 1.9 pp -138.59 -24.47 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 177.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.553 ' N ' HD12 ' A' ' 10' ' ' ILE . 5.4 ptpp? -143.46 177.57 8.37 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.815 0.341 . . . . 0.0 111.138 177.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.472 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 31.7 tt0 -63.77 146.1 54.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.919 -177.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.801 ' HD2' HG12 ' A' ' 3' ' ' VAL . 17.9 p90 -70.98 155.4 40.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.929 -178.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -131.9 -19.04 2.63 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.729 178.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.529 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 26.3 m-85 -130.28 178.0 6.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.987 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -163.86 101.84 0.89 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.7 t -47.86 122.51 9.22 Favored Pre-proline 0 C--O 1.224 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -62.39 -14.84 41.37 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.784 2.322 . . . . 0.0 112.739 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -102.27 -47.59 4.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.687 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.462 ' HB2' HG12 ' A' ' 22' ' ' VAL . 73.5 m -82.3 -28.71 31.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.277 0.561 . . . . 0.0 111.144 -177.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.7 mt 66.67 13.89 9.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.527 -173.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.462 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.9 p -75.38 121.6 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-O 121.63 0.729 . . . . 0.0 109.616 177.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.526 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 36.1 mt-30 -78.46 100.56 6.9 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.05 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 7.2 p -93.85 160.64 14.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.018 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 22.1 p -92.21 -20.44 21.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -177.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.404 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 59.4 p -155.16 176.06 13.04 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.962 -178.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.93 -26.76 66.13 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 173.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -59.72 -48.38 81.91 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.279 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.3 m -74.61 -22.11 59.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.085 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.405 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 48.5 m -73.49 -33.76 64.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.816 0.341 . . . . 0.0 110.683 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 21.9 pttp -92.61 -10.49 37.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.149 0.499 . . . . 0.0 110.304 177.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.533 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 51.9 tptt -60.96 -43.42 98.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.467 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -79.25 -13.61 59.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.778 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.406 ' HD2' ' HA ' ' A' ' 31' ' ' LYS . 94.1 mttt -78.07 -39.65 41.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.117 0.484 . . . . 0.0 110.081 -178.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.1 t -75.78 -9.46 58.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.471 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 13.2 ptm180 -114.66 -39.29 3.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.689 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.15 9.28 21.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.613 0.244 . . . . 0.0 111.522 -173.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 57.41 38.26 28.24 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.513 174.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.0 t . . . . . 0 C--N 1.321 -0.631 0 CA-C-O 120.919 0.39 . . . . 0.0 110.412 178.56 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.74 HG12 ' HD1' ' A' ' 13' ' ' PHE . 1.4 p . . . . . 0 N--CA 1.442 -0.833 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.505 ' N ' HG13 ' A' ' 3' ' ' VAL . 45.6 mt -118.25 134.98 54.56 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.199 160.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 42.3 t -39.37 120.44 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 124.521 1.138 . . . . 0.0 111.804 -177.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.4 -19.31 40.03 Favored Glycine 0 CA--C 1.517 0.197 0 CA-C-N 115.686 -0.688 . . . . 0.0 113.908 -174.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.446 HG11 ' HD3' ' A' ' 32' ' ' LYS . 69.2 t -92.31 -63.05 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.682 ' SG ' HG13 ' A' ' 10' ' ' ILE . 25.9 p -96.29 -34.03 11.75 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.441 0.638 . . . . 0.0 111.635 -173.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.6 33.54 81.37 Favored Glycine 0 C--O 1.227 -0.334 0 CA-C-N 115.025 -0.989 . . . . 0.0 114.738 174.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.682 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.2 pp -105.23 -15.06 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 117.811 0.805 . . . . 0.0 112.184 -179.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.493 ' N ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -154.8 178.92 9.6 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.01 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.557 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 20.0 mp0 -62.63 171.63 1.95 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.714 0.768 . . . . 0.0 111.774 -177.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.74 ' HD1' HG12 ' A' ' 3' ' ' VAL . 11.9 p90 -90.34 154.87 19.37 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.894 177.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -133.87 -22.65 1.84 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.152 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.595 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 17.8 m-85 -118.15 175.9 5.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.879 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -164.1 99.38 0.85 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.3 t -51.25 130.36 32.39 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.155 -178.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -65.39 -18.46 60.21 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.937 2.425 . . . . 0.0 112.484 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -104.24 -54.49 2.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.311 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.46 ' HB2' HG12 ' A' ' 22' ' ' VAL . 67.6 m -75.33 -26.02 58.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.976 0.417 . . . . 0.0 111.232 -176.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.9 mt 67.63 4.89 4.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.777 -172.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.46 HG12 ' HB2' ' A' ' 20' ' ' CYS . 12.4 p -66.11 121.45 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-O 121.913 0.863 . . . . 0.0 110.083 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.582 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 39.3 mt-30 -79.42 95.43 5.76 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.753 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.538 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 8.6 p -90.41 155.43 18.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.026 -177.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 32.0 p -82.18 -31.82 30.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.255 -178.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.595 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 48.8 m -159.74 173.84 15.41 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.18 -177.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.8 -27.98 69.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.68 0.276 . . . . 0.0 111.011 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -53.89 -35.9 62.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.743 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.5 m -90.62 -28.05 18.66 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.379 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.526 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 47.5 m -64.66 -42.78 95.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.889 0.376 . . . . 0.0 110.02 176.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 64.2 pttt -77.1 -17.38 58.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.66 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.492 ' O ' HG22 ' A' ' 35' ' ' THR . 47.7 tttp -65.74 -40.89 92.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 -176.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -78.49 -17.13 56.7 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.545 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 30' ' ' SER . 66.5 mttm -78.11 -32.8 50.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.988 -178.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 32' ' ' LYS . 6.1 t -71.4 -15.33 62.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.873 0.368 . . . . 0.0 111.481 -176.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -116.8 -26.4 6.96 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -112.26 -7.66 14.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.176 0.512 . . . . 0.0 111.199 -175.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 59.41 29.62 19.21 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.329 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 28.0 t . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.44 -176.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.448 ' O ' ' HD1' ' A' ' 13' ' ' PHE . 57.6 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.47 ' CD1' ' H ' ' A' ' 12' ' ' GLU . 3.0 mm? -79.98 179.09 7.78 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.729 0.776 . . . . 0.0 110.9 176.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 45.5 t -64.73 132.79 50.59 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.53 175.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.415 ' HA3' ' CG2' ' A' ' 22' ' ' VAL . . . -68.82 -16.13 69.87 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.951 179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.0 t -96.36 -64.06 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 O-C-N 122.524 -0.398 . . . . 0.0 111.534 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.443 ' SG ' HG13 ' A' ' 10' ' ' ILE . 32.0 p -91.49 -7.12 51.35 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 120.122 -0.631 . . . . 0.0 111.775 -175.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . 62.49 29.82 74.59 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 114.652 0.621 . . . . 0.0 114.652 172.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.539 HD12 ' HG2' ' A' ' 11' ' ' LYS . 2.7 pp -148.39 170.09 2.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 117.644 0.722 . . . . 0.0 111.444 -176.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.539 ' HG2' HD12 ' A' ' 10' ' ' ILE . 11.2 ptmm? 52.55 27.07 4.73 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.447 1.499 . . . . 0.0 113.991 174.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.47 ' H ' ' CD1' ' A' ' 4' ' ' LEU . 34.7 mt-10 65.66 171.48 0.22 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.517 0.675 . . . . 0.0 111.488 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.448 ' HD1' ' O ' ' A' ' 3' ' ' VAL . 23.5 p90 -104.45 164.55 11.66 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.378 178.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -141.17 -28.31 0.68 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.209 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.595 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 11.1 m-85 -113.93 179.67 3.89 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.336 -178.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -163.37 104.32 0.96 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.336 175.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.6 t -51.68 121.86 19.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.612 179.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.8 -17.86 57.47 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.72 2.28 . . . . 0.0 112.515 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -96.59 -46.65 6.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.556 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.485 ' HB2' HG12 ' A' ' 22' ' ' VAL . 85.5 m -89.43 -23.51 22.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.115 0.483 . . . . 0.0 111.521 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.9 mt 64.6 17.09 10.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.412 -173.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.485 HG12 ' HB2' ' A' ' 20' ' ' CYS . 12.9 p -80.16 121.46 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.451 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 24.6 mt-30 -83.08 97.35 8.73 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.366 -177.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.436 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 3.5 p -90.45 159.36 16.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.138 -175.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.478 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 28.9 p -82.18 -31.34 30.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.942 0.401 . . . . 0.0 110.497 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.595 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 49.1 m -160.25 168.26 25.75 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.025 -177.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.6 mt -57.33 -29.28 63.84 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.861 0.362 . . . . 0.0 110.817 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.433 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 15.3 tp10 -51.56 -40.89 60.59 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.775 176.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.2 m -90.04 -24.18 21.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.859 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.468 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 8.9 m -65.82 -36.51 83.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.985 0.422 . . . . 0.0 110.146 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 65.1 pttt -87.97 -7.89 56.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.424 ' O ' HG22 ' A' ' 35' ' ' THR . 24.1 tptm -64.27 -45.23 88.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.756 -177.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -77.11 -15.05 59.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.85 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.468 ' HE3' ' O ' ' A' ' 30' ' ' SER . 94.4 mttt -76.23 -32.9 59.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.83 0.348 . . . . 0.0 110.8 -174.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 32' ' ' LYS . 11.5 t -76.5 -14.73 60.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.819 -175.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -122.15 -5.11 8.94 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -175.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -131.48 1.38 4.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.93 0.395 . . . . 0.0 111.311 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 61.0 28.94 18.7 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.009 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.2 t . . . . . 0 C--N 1.324 -0.517 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 177.465 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.805 HG12 ' HD1' ' A' ' 13' ' ' PHE . 1.6 p . . . . . 0 N--CA 1.439 -1.0 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.424 ' N ' HG13 ' A' ' 3' ' ' VAL . 56.2 mt -117.56 135.3 54.05 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 162.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 51.0 t -38.89 125.36 1.48 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.555 -1.202 . . . . 0.0 112.747 -174.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.92 -20.03 64.01 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.706 -0.679 . . . . 0.0 113.541 -176.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.3 t -93.41 -65.02 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.717 ' SG ' HG13 ' A' ' 10' ' ' ILE . 31.3 p -88.49 -12.02 44.15 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.456 -174.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.14 15.19 81.25 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 121.116 -0.564 . . . . 0.0 114.13 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.717 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.7 pp -132.24 154.53 40.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 117.76 0.78 . . . . 0.0 110.665 -177.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 10.9 ptmm? 56.0 168.31 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.881 1.272 . . . . 0.0 112.867 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -71.45 154.38 41.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.103 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.805 ' HD1' HG12 ' A' ' 3' ' ' VAL . 18.1 p90 -75.04 155.34 37.35 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.36 177.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -131.62 -25.03 2.17 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.791 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.522 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 21.2 m-85 -121.15 -178.45 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.132 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -164.57 96.8 0.76 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.9 t -49.74 126.52 18.42 Favored Pre-proline 0 C--N 1.333 -0.13 0 O-C-N 123.416 0.448 . . . . 0.0 111.46 -177.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 25.4 Cg_endo -63.3 -16.85 57.08 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 123.03 2.487 . . . . 0.0 112.759 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -103.58 -47.2 4.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.485 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.554 ' HB2' HG12 ' A' ' 22' ' ' VAL . 81.7 m -85.63 -24.62 27.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.955 0.407 . . . . 0.0 111.72 -174.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.9 mt 64.02 12.87 7.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.454 -172.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.554 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.6 p -74.51 120.87 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.46 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.547 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 38.4 mt-30 -79.89 97.49 6.72 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.427 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.522 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 11.7 p -90.42 153.47 20.38 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.026 -176.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 20.5 p -84.4 -18.28 36.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.458 -177.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.2 p -162.68 178.4 8.54 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.801 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.499 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 87.9 mt -68.98 -22.73 64.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.153 0.502 . . . . 0.0 109.842 173.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.471 ' OE2' ' HE3' ' A' ' 31' ' ' LYS . 7.7 tp10 -60.79 -42.76 98.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.805 178.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.5 m -84.33 -25.37 29.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.981 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.499 ' OG ' ' HA ' ' A' ' 27' ' ' LEU . 65.9 p -71.35 -34.02 70.11 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.37 178.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.541 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 16.6 pttp -84.93 -14.76 46.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.066 0.46 . . . . 0.0 110.376 177.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -66.27 -34.05 77.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.452 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -83.91 -15.67 47.12 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.841 176.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HD2' ' HA ' ' A' ' 31' ' ' LYS . 59.8 mttm -77.9 -26.55 49.19 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.035 0.445 . . . . 0.0 110.661 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.7 t -89.27 6.97 37.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.956 -176.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -136.83 -35.12 0.72 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.714 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -107.02 -5.1 18.33 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.205 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 51.48 82.34 0.06 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.273 0.558 . . . . 0.0 110.641 -176.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.533 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 26.6 t . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.299 -174.264 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.6 t . . . . . 0 N--CA 1.449 -0.492 0 CA-C-O 120.65 0.262 . . . . 0.0 110.335 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.82 145.26 48.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.629 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.546 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 53.3 t -45.13 123.68 4.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.603 177.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.82 -24.42 62.44 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.768 -0.651 . . . . 0.0 113.4 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.2 t -87.97 -67.1 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.819 0.309 . . . . 0.0 111.772 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.626 ' SG ' HG13 ' A' ' 10' ' ' ILE . 21.9 p -92.38 -29.98 16.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.221 0.534 . . . . 0.0 111.786 -171.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.42 32.75 85.2 Favored Glycine 0 C--N 1.331 0.274 0 CA-C-N 115.213 -0.903 . . . . 0.0 114.946 173.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.626 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.4 pp -108.74 -14.94 9.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 117.945 0.872 . . . . 0.0 111.853 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.479 ' N ' HD12 ' A' ' 10' ' ' ILE . 21.9 ptmt -150.35 173.98 13.38 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.98 163.7 3.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.725 0.774 . . . . 0.0 111.581 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.474 ' CG ' ' HB3' ' A' ' 23' ' ' GLN . 21.1 p90 -88.39 155.29 19.77 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.2 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -134.7 -17.7 1.94 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.963 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.542 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 24.5 m-85 -125.66 -179.15 4.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.16 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -168.09 99.57 0.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.4 t -50.62 127.69 25.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 123.56 0.538 . . . . 0.0 111.854 -177.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -60.72 -19.73 62.34 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.243 2.629 . . . . 0.0 112.873 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -99.66 -47.47 5.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.012 0.434 . . . . 0.0 111.369 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.459 ' HB2' HG12 ' A' ' 22' ' ' VAL . 64.5 m -89.83 -22.55 22.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.884 -171.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.8 mt 62.81 13.33 6.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.183 -176.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.459 HG12 ' HB2' ' A' ' 20' ' ' CYS . 11.1 p -78.4 120.95 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.474 ' HB3' ' CG ' ' A' ' 13' ' ' PHE . 25.4 mt-30 -79.94 100.55 8.14 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.113 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.542 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 11.4 p -92.22 160.55 15.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.915 -176.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 23.9 p -89.89 -20.22 23.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 -178.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.9 p -158.11 175.51 13.7 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.718 -177.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.92 -25.65 67.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.062 172.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.76 -48.72 80.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.116 0.484 . . . . 0.0 110.427 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.3 m -75.79 -20.78 57.96 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.99 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.2 m -74.39 -37.96 63.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.452 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -84.45 -13.67 51.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.94 0.4 . . . . 0.0 110.198 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.414 ' O ' HG22 ' A' ' 35' ' ' THR . 27.2 tptp -60.74 -48.67 80.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.905 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -74.2 -11.58 60.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.198 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -76.92 -27.01 54.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.748 0.309 . . . . 0.0 111.074 -173.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 32' ' ' LYS . 12.7 t -85.82 1.13 50.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.043 0.449 . . . . 0.0 111.034 -177.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -128.58 -30.55 2.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.498 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -99.76 -8.09 24.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.112 0.482 . . . . 0.0 110.48 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 61.85 27.51 16.77 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.893 0.854 . . . . 0.0 110.496 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.1 t . . . . . 0 C--N 1.319 -0.737 0 CA-C-N 114.312 -1.313 . . . . 0.0 109.165 176.466 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.709 HG12 ' HD1' ' A' ' 13' ' ' PHE . 1.5 p . . . . . 0 N--CA 1.445 -0.678 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.528 ' N ' HG13 ' A' ' 3' ' ' VAL . 42.0 mt -118.74 129.61 55.35 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.406 161.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.591 ' HB3' ' H ' ' A' ' 9' ' ' GLY . 50.3 t -35.67 122.26 0.65 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 114.352 -1.294 . . . . 0.0 112.035 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.85 -15.45 55.12 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 121.293 -0.479 . . . . 0.0 113.275 -176.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -92.58 -62.04 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 122.797 -0.237 . . . . 0.0 111.473 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.7 p -103.83 -34.04 8.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.046 -174.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.591 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 51.17 70.14 0.94 Allowed Glycine 0 N--CA 1.46 0.275 0 CA-C-N 116.052 -0.522 . . . . 0.0 114.165 176.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.446 HD12 ' HG2' ' A' ' 11' ' ' LYS . 1.9 pp -142.36 14.7 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.5 ' HG3' ' H ' ' A' ' 12' ' ' GLU . 19.6 ptmt -162.51 -68.89 0.05 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.505 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 31.0 tt0 178.13 168.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -176.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.709 ' HD1' HG12 ' A' ' 3' ' ' VAL . 6.0 p90 -95.89 152.65 18.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.074 0.464 . . . . 0.0 110.587 174.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -132.28 -18.94 2.52 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.463 174.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.467 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 27.0 m-85 -124.89 172.57 9.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.643 -178.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -154.84 107.3 2.75 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 174.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.9 t -49.7 130.02 20.24 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.347 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -70.52 -12.23 31.12 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.82 2.346 . . . . 0.0 112.047 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.468 ' HD3' ' SG ' ' A' ' 39' ' ' CYS . 67.0 mtp180 -102.92 -49.84 3.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.008 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.407 ' HB2' HG12 ' A' ' 22' ' ' VAL . 58.2 m -91.53 -20.69 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.624 -174.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.2 mt 63.22 17.13 9.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.983 -175.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.407 HG12 ' HB2' ' A' ' 20' ' ' CYS . 12.8 p -80.56 120.89 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-O 121.671 0.748 . . . . 0.0 110.131 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.509 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 44.0 mt-30 -68.48 109.08 3.54 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.878 177.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 p -108.51 151.34 26.21 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.406 -176.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.0 p -79.76 -31.98 40.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.005 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.467 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 75.1 m -157.47 168.64 26.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.57 -177.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.3 mt -57.11 -32.83 66.71 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.398 0.436 . . . . 0.0 111.474 -177.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -53.3 -45.39 68.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.92 0.391 . . . . 0.0 110.552 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.44 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 32.8 m -78.88 -28.18 44.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.789 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.551 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 13.9 m -67.41 -22.82 65.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.982 0.42 . . . . 0.0 110.378 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -111.62 8.88 21.03 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.051 0.453 . . . . 0.0 110.662 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.44 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 27.1 tptp -80.91 -41.31 23.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.263 0.554 . . . . 0.0 110.164 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -73.75 -14.95 61.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.344 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HE3' ' O ' ' A' ' 30' ' ' SER . 98.6 mttt -67.88 -20.99 65.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 111.23 -171.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 32' ' ' LYS . 11.7 t -81.13 -21.0 40.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.348 -177.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.452 ' HG3' ' OD1' ' A' ' 37' ' ' ASP . 21.7 ptt180 -118.6 -18.19 9.11 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.745 0.307 . . . . 0.0 111.726 -175.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.452 ' OD1' ' HG3' ' A' ' 36' ' ' ARG . 1.2 m-20 -105.38 -3.25 22.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.062 0.458 . . . . 0.0 110.061 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 56.26 47.56 19.0 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.062 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.468 ' SG ' ' HD3' ' A' ' 19' ' ' ARG . 45.6 t . . . . . 0 C--N 1.322 -0.604 0 CA-C-N 114.865 -1.062 . . . . 0.0 110.512 -173.354 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.483 ' O ' ' HD1' ' A' ' 13' ' ' PHE . 60.7 t . . . . . 0 N--CA 1.448 -0.553 0 CA-C-O 121.068 0.461 . . . . 0.0 110.702 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.424 HD23 ' H ' ' A' ' 12' ' ' GLU . 49.1 mt -78.8 148.81 32.78 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.022 176.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.542 ' HB3' ' H ' ' A' ' 9' ' ' GLY . 46.8 t -43.27 123.88 3.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.179 177.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.8 -22.11 56.62 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 121.091 -0.576 . . . . 0.0 113.504 -177.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 29' ' ' CYS . 89.4 t -92.09 -65.09 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 122.559 -0.377 . . . . 0.0 111.809 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.5 p -97.48 -26.36 14.86 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.054 -174.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.542 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 46.6 59.45 5.38 Favored Glycine 0 N--CA 1.459 0.218 0 N-CA-C 114.607 0.603 . . . . 0.0 114.607 176.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.49 HD12 ' HG2' ' A' ' 11' ' ' LYS . 2.0 pp -140.67 -11.54 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.49 ' HG2' HD12 ' A' ' 10' ' ' ILE . 5.9 ptpp? -142.05 41.0 1.66 Allowed 'General case' 0 N--CA 1.466 0.363 0 O-C-N 122.049 -0.407 . . . . 0.0 111.618 -178.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.545 ' HG2' ' H ' ' A' ' 13' ' ' PHE . 37.6 tt0 63.75 178.71 0.16 Allowed 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 23' ' ' GLN . 21.2 p90 -107.64 162.1 14.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.85 0.357 . . . . 0.0 110.384 174.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -139.39 -30.15 0.73 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.281 178.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.617 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 6.4 m-85 -108.69 -175.75 2.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.38 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -165.64 100.26 0.69 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 43.0 t -52.99 126.44 43.13 Favored Pre-proline 0 N--CA 1.463 0.196 0 CA-C-O 120.724 0.297 . . . . 0.0 111.284 -177.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 17' ' ' CYS . 10.0 Cg_endo -54.78 -27.03 50.45 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.406 2.737 . . . . 0.0 112.953 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -100.82 -53.85 2.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.804 0.335 . . . . 0.0 111.68 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.462 ' HB2' HG12 ' A' ' 22' ' ' VAL . 63.7 m -76.28 -24.94 54.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.608 -173.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mt 65.42 4.94 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.986 -174.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.462 HG12 ' HB2' ' A' ' 20' ' ' CYS . 12.0 p -69.85 128.92 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 177.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.561 ' HB3' ' CD2' ' A' ' 13' ' ' PHE . 22.8 mt-30 -89.54 98.61 11.87 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.389 -175.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.528 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 20.2 p -89.39 162.8 15.59 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.837 -177.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.8 p -89.11 -26.17 21.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.845 0.355 . . . . 0.0 110.456 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.617 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 66.7 m -161.07 173.75 14.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.265 -177.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.95 -30.83 71.18 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.237 0.335 . . . . 0.0 111.18 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.456 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 1.4 tm-20 -54.09 -41.19 67.98 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.178 0.513 . . . . 0.0 110.192 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.593 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 33.4 m -84.68 -23.3 29.47 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.338 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.401 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 40.6 m -69.84 -34.44 73.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.881 0.372 . . . . 0.0 110.401 177.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.456 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 63.1 pttt -90.85 -2.55 57.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.222 0.534 . . . . 0.0 110.302 178.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.593 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 4.0 tptm -74.17 -41.75 60.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.452 -178.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -77.6 -15.2 59.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.786 -177.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.401 ' HE3' ' O ' ' A' ' 30' ' ' SER . 97.3 mttt -72.17 -19.64 61.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.029 0.442 . . . . 0.0 110.74 -173.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 32' ' ' LYS . 13.6 t -100.15 2.31 42.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.124 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -134.2 -27.57 1.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -109.49 -3.07 17.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.549 0.214 . . . . 0.0 110.925 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 61.81 95.13 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.755 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.7 t . . . . . 0 C--N 1.318 -0.769 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.056 -174.121 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.7 t . . . . . 0 N--CA 1.45 -0.436 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 71.6 mt -75.25 145.38 41.97 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.372 176.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 41.9 t -46.68 123.71 5.32 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.225 176.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.81 -22.23 64.11 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 121.219 -0.515 . . . . 0.0 113.429 -176.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 79.1 t -88.74 -66.6 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 122.719 -0.283 . . . . 0.0 111.587 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.544 ' SG ' HG13 ' A' ' 10' ' ' ILE . 19.8 p -91.29 -33.82 15.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.493 -174.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.96 54.12 37.51 Favored Glycine 0 C--O 1.235 0.191 0 C-N-CA 121.411 -0.423 . . . . 0.0 113.79 177.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.544 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.3 pp -127.74 -1.49 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.825 0.345 . . . . 0.0 111.514 176.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -165.18 172.77 12.1 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.339 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -61.39 147.75 43.88 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 123.607 0.567 . . . . 0.0 110.712 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -78.04 159.23 28.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.505 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -137.07 -14.66 1.55 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.282 0.563 . . . . 0.0 110.582 177.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.516 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 38.5 m-85 -124.67 175.76 7.0 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.571 -177.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 tttt -159.84 99.95 1.41 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 t -52.82 129.05 46.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 111.652 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.23 -23.93 72.45 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.109 2.539 . . . . 0.0 112.552 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -95.44 -56.23 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.281 0.562 . . . . 0.0 111.195 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.436 ' HB2' HG12 ' A' ' 22' ' ' VAL . 57.4 m -81.63 -22.91 37.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.605 -171.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 mt 62.3 15.93 8.05 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.836 -173.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.436 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.3 p -77.23 127.28 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.95 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 177.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 22.5 mt-30 -87.14 96.34 10.28 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.887 -177.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 15.0 p -88.93 159.38 17.68 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.873 -177.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 24.6 p -87.61 -25.34 23.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.315 -178.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.456 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 68.0 m -159.71 168.09 26.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.315 -177.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.47 -35.83 70.67 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.422 0.452 . . . . 0.0 111.222 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -56.68 -30.72 63.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.508 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.461 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 33.4 m -89.1 -26.22 21.47 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 120.786 0.327 . . . . 0.0 110.873 177.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.5 m -69.03 -33.96 74.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.063 0.458 . . . . 0.0 110.328 176.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -85.29 -13.94 48.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.634 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 17.4 tptp -66.94 -37.74 84.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.497 -176.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -83.25 -13.02 56.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.181 -177.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -72.74 -25.48 61.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.934 0.397 . . . . 0.0 110.978 -173.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.0 t -82.4 -0.42 45.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.183 -177.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -130.11 -15.61 3.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.685 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -110.8 -8.25 14.55 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.368 -177.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 62.58 27.31 16.15 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 122.604 1.192 . . . . 0.0 108.857 -173.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.2 t . . . . . 0 C--N 1.318 -0.767 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.076 -176.642 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.544 ' O ' ' HD1' ' A' ' 13' ' ' PHE . 50.4 t . . . . . 0 CA--C 1.508 -0.642 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.693 HD22 ' HA ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -96.12 169.52 9.9 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.749 -0.78 . . . . 0.0 110.625 -175.196 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 34.5 t -48.94 128.75 16.43 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.794 -1.093 . . . . 0.0 111.405 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.42 -16.95 68.0 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.15 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.0 t -93.08 -59.3 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.653 ' SG ' HG13 ' A' ' 10' ' ' ILE . 20.4 p -107.24 -10.67 15.77 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 120.406 -0.517 . . . . 0.0 112.279 -174.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.455 ' O ' HD12 ' A' ' 4' ' ' LEU . . . 56.74 35.75 69.06 Favored Glycine 0 N--CA 1.464 0.521 0 CA-C-N 115.806 -0.633 . . . . 0.0 114.647 176.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.653 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.8 pp -138.25 162.13 30.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 117.141 0.471 . . . . 0.0 110.55 175.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 18.5 ptmt 59.44 20.29 8.66 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.956 1.303 . . . . 0.0 112.793 173.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.693 ' HA ' HD22 ' A' ' 4' ' ' LEU . 38.1 mt-10 65.12 152.53 0.05 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 122.093 0.949 . . . . 0.0 112.564 178.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.544 ' HD1' ' O ' ' A' ' 3' ' ' VAL . 8.4 p90 -77.77 154.41 31.98 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.428 175.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.419 ' NZ ' ' HB2' ' A' ' 14' ' ' LYS . 3.8 ttmp? -137.21 -27.6 0.96 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.339 0.59 . . . . 0.0 110.122 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.472 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 11.9 m-85 -114.05 -176.05 2.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.396 -177.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 35.5 ttpt -166.53 104.68 0.61 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.318 176.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 t -50.41 126.54 22.26 Favored Pre-proline 0 N--CA 1.462 0.17 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.667 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.0 -13.54 38.07 Favored 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 122.759 2.306 . . . . 0.0 112.62 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -106.37 -55.62 2.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.204 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.475 ' HB2' HG12 ' A' ' 22' ' ' VAL . 80.8 m -73.48 -25.07 60.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.865 0.364 . . . . 0.0 111.397 -176.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mt 64.74 13.9 8.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.482 -173.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.475 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.6 p -74.74 121.68 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.019 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.525 ' HB3' ' CG ' ' A' ' 13' ' ' PHE . 23.5 mt-30 -77.58 96.12 4.71 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.172 178.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.472 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 1.6 p -90.0 155.54 19.02 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.025 -177.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 30.2 p -82.18 -28.23 32.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.144 0.497 . . . . 0.0 110.508 -178.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.9 p -148.67 174.82 11.76 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.434 -176.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.445 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -69.39 -24.64 63.89 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 174.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -62.75 -50.83 69.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.534 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.2 m -69.23 -24.09 63.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.755 0.312 . . . . 0.0 110.688 177.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.49 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 37.5 m -70.71 -24.24 62.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.802 179.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -105.07 -7.44 19.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.966 0.412 . . . . 0.0 110.801 178.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -67.91 -42.43 81.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.513 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -72.42 -17.88 61.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HE3' ' O ' ' A' ' 30' ' ' SER . 96.7 mttt -72.2 -33.46 67.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.99 0.424 . . . . 0.0 110.604 -176.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 t -89.91 2.55 54.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.42 -172.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -130.14 -35.6 1.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.521 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -104.61 -6.24 20.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.897 0.379 . . . . 0.0 110.68 -175.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.7 t30 63.04 88.46 0.1 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.78 -177.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.321 -0.637 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.144 -179.165 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.698 HG12 ' HD1' ' A' ' 13' ' ' PHE . 1.1 p . . . . . 0 N--CA 1.448 -0.56 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.543 ' N ' HG13 ' A' ' 3' ' ' VAL . 57.2 mt -116.52 132.62 56.63 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 119.4 -0.92 . . . . 0.0 110.676 165.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 53.4 t -44.87 124.62 4.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.231 -1.349 . . . . 0.0 111.837 -178.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.59 -27.42 66.1 Favored Glycine 0 N--CA 1.452 -0.234 0 CA-C-N 115.797 -0.638 . . . . 0.0 113.345 -177.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 84.4 t -84.92 -65.43 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 111.792 0.294 . . . . 0.0 111.792 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.4 p -95.81 -31.85 12.97 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.223 -174.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.43 70.93 0.76 Allowed Glycine 0 N--CA 1.46 0.243 0 CA-C-N 116.32 -0.4 . . . . 0.0 113.979 177.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.54 HD12 ' N ' ' A' ' 11' ' ' LYS . 1.7 pp -138.25 -27.56 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 178.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.54 ' N ' HD12 ' A' ' 10' ' ' ILE . 22.2 ptmt -125.4 -64.83 1.05 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -175.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.565 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 38.1 tt0 176.7 167.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 -170.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.698 ' HD1' HG12 ' A' ' 3' ' ' VAL . 7.0 p90 -94.92 157.99 15.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.044 0.45 . . . . 0.0 110.95 174.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -140.32 -19.57 0.87 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.489 176.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.505 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 19.9 m-85 -126.85 -178.96 4.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.843 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 36.7 ttpt -166.42 97.63 0.59 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 178.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.7 t -45.21 125.18 5.63 Favored Pre-proline 0 N--CA 1.463 0.206 0 O-C-N 123.766 0.666 . . . . 0.0 111.835 -176.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 21.0 Cg_endo -63.57 -13.54 37.13 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.959 2.439 . . . . 0.0 112.625 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.408 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 68.9 mtt180 -98.45 -59.37 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.247 0.546 . . . . 0.0 110.698 175.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.434 ' HB2' HG12 ' A' ' 22' ' ' VAL . 58.8 m -82.02 -20.7 37.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.914 -170.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mt 63.07 16.73 9.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.762 -176.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 10.0 p -78.05 125.43 37.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-O 121.432 0.634 . . . . 0.0 109.675 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.531 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 48.3 mt-30 -79.51 94.96 5.7 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.011 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.505 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 12.3 p -90.5 156.13 18.4 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.852 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.8 p -86.54 -24.54 25.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.713 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.43 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 55.2 m -159.28 169.9 23.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.474 -177.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.2 mt -58.53 -32.79 69.18 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.339 0.399 . . . . 0.0 110.464 177.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -48.31 -49.86 32.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.774 174.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.532 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 24.6 m -79.49 -25.03 41.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.277 -178.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.413 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 61.0 m -67.52 -38.75 84.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.053 0.454 . . . . 0.0 110.414 178.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.465 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 63.8 pttt -87.01 -7.56 58.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.668 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.532 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 14.3 tptt -66.16 -45.76 79.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.653 -177.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -74.88 -15.07 60.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.04 0.448 . . . . 0.0 110.668 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HD2' ' HA ' ' A' ' 31' ' ' LYS . 91.0 mttt -76.87 -27.04 54.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.934 0.397 . . . . 0.0 110.594 -178.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 32' ' ' LYS . 6.0 t -94.29 -1.62 53.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.257 -175.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 11.9 ptp180 -128.62 -30.11 2.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.834 -177.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -115.77 -3.42 12.24 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.241 -0.287 . . . . 0.0 111.209 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.5 t30 61.93 104.48 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.998 0.811 . . . . 0.0 111.399 -177.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.408 ' SG ' ' HD2' ' A' ' 19' ' ' ARG . 44.8 t . . . . . 0 C--N 1.324 -0.502 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.321 -178.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.74 HG12 ' HD1' ' A' ' 13' ' ' PHE . 1.0 OUTLIER . . . . . 0 N--CA 1.441 -0.877 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.46 ' N ' HG13 ' A' ' 3' ' ' VAL . 51.3 mt -119.93 129.07 54.16 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 119.734 -0.786 . . . . 0.0 109.752 163.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.509 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 53.6 t -35.64 118.7 0.5 Allowed 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 114.26 -1.336 . . . . 0.0 112.319 -177.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.8 -21.56 51.68 Favored Glycine 0 CA--C 1.518 0.249 0 CA-C-N 115.938 -0.574 . . . . 0.0 113.42 -176.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.9 t -88.94 -63.02 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -177.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.51 ' SG ' HG13 ' A' ' 10' ' ' ILE . 27.0 p -96.67 -22.01 17.26 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.463 0.649 . . . . 0.0 111.643 -173.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 59.46 39.11 94.47 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 114.915 -1.038 . . . . 0.0 115.062 173.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.519 HD12 ' HG2' ' A' ' 11' ' ' LYS . 2.5 pp -123.53 -14.64 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 118.095 0.947 . . . . 0.0 112.974 -178.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.519 ' HG2' HD12 ' A' ' 10' ' ' ILE . 21.2 ptmt -147.99 175.4 11.02 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.316 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -64.23 155.87 30.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.677 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.74 ' HD1' HG12 ' A' ' 3' ' ' VAL . 17.8 p90 -79.69 156.89 27.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.092 178.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -137.98 -13.33 1.43 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.166 175.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.529 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 36.8 m-85 -131.86 179.34 6.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.985 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 38.5 ttpt -167.11 100.05 0.53 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.3 t -51.41 124.41 24.2 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -65.68 -13.72 41.21 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.905 2.403 . . . . 0.0 112.21 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 2.6 mtp180 -95.85 -57.19 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.278 0.561 . . . . 0.0 111.074 177.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.409 ' HB2' HG12 ' A' ' 22' ' ' VAL . 57.3 m -86.27 -13.14 47.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.448 -171.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.9 mt 56.99 22.22 7.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.145 -176.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 9.3 p -85.03 118.59 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-O 121.612 0.72 . . . . 0.0 110.05 -179.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.529 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 45.4 mt-30 -73.65 99.03 2.99 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.48 177.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 7.4 p -94.21 152.9 18.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.949 -177.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.509 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 25.7 p -79.08 -29.27 43.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.697 -177.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.427 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 63.1 m -159.49 174.13 15.14 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.368 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.7 mt -60.63 -33.35 72.65 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 122.977 0.173 . . . . 0.0 111.095 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -50.27 -45.2 54.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.115 0.483 . . . . 0.0 110.983 177.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.0 m -81.45 -28.49 34.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.103 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.531 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 21.8 t -68.07 -22.7 64.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.548 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -108.76 0.42 20.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.937 0.399 . . . . 0.0 110.842 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.476 ' O ' HG22 ' A' ' 35' ' ' THR . 44.9 tttp -77.12 -36.52 55.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.097 0.475 . . . . 0.0 110.492 -177.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -75.64 -18.78 59.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.618 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.531 ' HE3' ' O ' ' A' ' 30' ' ' SER . 98.0 mttt -68.11 -25.31 65.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.915 -174.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 32' ' ' LYS . 5.0 t -86.72 -2.56 58.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.514 -174.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -129.58 -29.29 2.19 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.624 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -100.96 -10.42 20.6 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.761 -178.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 62.65 84.17 0.15 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -174.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.6 t . . . . . 0 C--N 1.323 -0.568 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.266 -174.05 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.426 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 71.9 t . . . . . 0 N--CA 1.452 -0.357 0 N-CA-C 110.183 -0.303 . . . . 0.0 110.183 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.1 mt -77.74 152.12 33.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.64 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.547 ' HB3' ' H ' ' A' ' 9' ' ' GLY . 39.7 t -48.58 133.65 16.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.38 177.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . 0.403 ' HA3' HG23 ' A' ' 22' ' ' VAL . . . -72.25 -21.74 79.16 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.779 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.1 t -90.62 -72.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.405 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.464 ' SG ' HG13 ' A' ' 10' ' ' ILE . 22.5 p -83.41 -36.11 24.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.469 0.652 . . . . 0.0 110.984 -174.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.547 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 70.02 28.93 71.1 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.029 -0.987 . . . . 0.0 114.61 172.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.464 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.4 pp -113.68 -10.95 12.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 117.76 0.78 . . . . 0.0 112.101 -177.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.441 ' N ' HD12 ' A' ' 10' ' ' ILE . 22.8 ptmt -145.68 169.15 19.04 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.212 178.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -63.71 149.96 45.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 123.714 0.634 . . . . 0.0 110.737 -177.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.426 ' CD1' ' HB ' ' A' ' 3' ' ' VAL . 13.0 p90 -77.92 164.52 25.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.015 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -146.69 -19.04 0.42 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.634 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.52 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 22.8 m-85 -125.58 170.99 10.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.449 -178.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -154.83 102.64 2.37 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.5 t -49.2 130.18 16.58 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.612 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -62.32 -18.13 61.03 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.948 2.432 . . . . 0.0 112.586 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -99.92 -43.48 6.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.418 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.502 ' HB2' HG12 ' A' ' 22' ' ' VAL . 44.7 m -101.53 -13.69 17.79 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -168.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.468 ' N ' HD22 ' A' ' 21' ' ' LEU . 1.1 mm? 55.54 6.5 0.18 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.368 0.604 . . . . 0.0 112.605 -178.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.502 HG12 ' HB2' ' A' ' 20' ' ' CYS . 9.0 p -65.05 118.17 6.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.832 175.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.482 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 19.4 mt-30 -75.98 91.84 3.09 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.547 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.52 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 5.4 p -86.31 151.92 23.18 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.905 -176.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 28.3 p -81.66 -28.22 33.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.65 -176.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.438 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 58.6 m -159.67 168.07 26.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.785 -178.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.09 -29.54 65.54 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.963 0.411 . . . . 0.0 111.192 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -53.43 -41.22 65.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.987 175.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 18.6 m -85.57 -24.54 27.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.917 178.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.462 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 9.3 m -66.27 -28.19 68.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.4 178.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -97.92 -11.37 23.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.406 ' O ' HG22 ' A' ' 35' ' ' THR . 55.2 tptt -61.78 -41.75 98.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.133 0.492 . . . . 0.0 110.663 -176.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -78.7 -8.47 58.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.235 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.462 ' HE3' ' O ' ' A' ' 30' ' ' SER . 98.3 mttt -79.95 -34.2 38.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.977 0.418 . . . . 0.0 110.609 -174.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 32' ' ' LYS . 13.3 t -74.42 -20.83 59.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.843 -178.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -103.28 -35.26 8.5 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -115.02 10.34 16.21 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.766 -174.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 55.56 41.61 30.51 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.235 175.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.995 179.022 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.456 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 99.1 t . . . . . 0 N--CA 1.447 -0.588 0 CA-C-O 120.659 0.266 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.9 mt -74.91 149.03 39.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.179 174.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.515 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 49.3 t -47.53 129.27 13.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.796 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.29 -19.76 74.51 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.891 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 82.3 t -91.33 -69.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 122.679 -0.306 . . . . 0.0 111.575 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.514 ' SG ' HG13 ' A' ' 10' ' ' ILE . 26.6 p -88.29 -31.27 19.06 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.401 0.62 . . . . 0.0 111.396 -173.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.402 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 65.8 34.46 88.78 Favored Glycine 0 C--N 1.332 0.334 0 CA-C-N 115.055 -0.975 . . . . 0.0 114.645 172.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.514 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.5 pp -117.75 -3.41 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 117.715 0.757 . . . . 0.0 112.688 -178.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -161.2 172.91 15.89 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.666 178.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -63.48 151.2 41.92 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.673 0.608 . . . . 0.0 111.112 -175.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.456 ' CD1' ' HB ' ' A' ' 3' ' ' VAL . 13.1 p90 -79.28 160.62 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.771 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -140.72 -27.17 0.73 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.939 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.567 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 3.2 m-85 -111.31 174.72 5.73 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.269 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -160.81 102.87 1.32 Allowed 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.0 t -50.49 125.56 20.88 Favored Pre-proline 0 C--N 1.331 -0.225 0 O-C-N 123.391 0.432 . . . . 0.0 110.855 -177.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -63.57 -13.5 36.89 Favored 'Trans proline' 0 C--N 1.34 0.11 0 C-N-CA 122.802 2.335 . . . . 0.0 112.229 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -108.09 -44.87 4.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.791 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.426 ' HB2' HG12 ' A' ' 22' ' ' VAL . 64.5 m -90.13 -22.53 21.71 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.411 -176.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 mt 65.44 9.95 6.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.247 -175.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.426 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.6 p -73.67 121.1 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-O 121.671 0.748 . . . . 0.0 109.748 178.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -77.66 103.52 7.65 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.881 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.567 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 2.8 p -97.93 151.95 19.73 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.848 -175.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.515 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 32.0 p -74.39 -31.73 62.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.816 -177.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.552 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 73.9 m -160.93 170.98 19.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.991 -175.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.5 tp -60.48 -30.65 69.83 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.431 0.457 . . . . 0.0 110.736 -174.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -52.94 -45.88 67.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.952 176.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.9 m -79.22 -27.4 42.49 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.222 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.498 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 5.1 m -66.32 -30.42 70.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.357 177.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -98.52 -7.73 27.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.703 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.57 ' O ' HG22 ' A' ' 35' ' ' THR . 52.1 tttm -73.75 -42.51 61.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.087 -175.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -69.69 -9.96 56.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.156 0.503 . . . . 0.0 110.661 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HE3' ' O ' ' A' ' 30' ' ' SER . 94.7 mttt -76.93 -17.46 58.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.957 -176.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 32' ' ' LYS . 7.2 t -86.73 -14.05 43.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.042 0.449 . . . . 0.0 110.84 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -108.67 -37.58 5.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -99.14 -13.42 19.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 0.0 111.296 -177.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 t30 66.69 15.88 10.24 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.703 0.764 . . . . 0.0 110.063 -177.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.4 t . . . . . 0 C--N 1.326 -0.445 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.328 -179.857 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.478 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 84.4 t . . . . . 0 N--CA 1.45 -0.432 0 N-CA-C 110.076 -0.342 . . . . 0.0 110.076 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.6 mt -76.49 148.61 37.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.311 0.577 . . . . 0.0 110.732 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 41.9 t -52.27 127.58 22.49 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.885 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.9 -21.53 69.59 Favored Glycine 0 CA--C 1.517 0.211 0 CA-C-N 115.971 -0.558 . . . . 0.0 113.262 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.0 t -89.14 -64.21 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.629 ' SG ' HG13 ' A' ' 10' ' ' ILE . 26.8 p -95.47 -34.68 11.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.358 0.599 . . . . 0.0 111.121 -174.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.425 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 70.5 23.77 77.33 Favored Glycine 0 C--O 1.228 -0.27 0 CA-C-N 115.194 -0.912 . . . . 0.0 114.396 174.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.629 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.4 pp -106.44 -12.52 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 117.626 0.713 . . . . 0.0 112.275 -176.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.723 ' HE3' ' SG ' ' A' ' 25' ' ' CYS . 14.8 pttp -151.08 170.09 20.23 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 177.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -56.38 158.17 4.47 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.889 0.743 . . . . 0.0 111.989 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.478 ' CD1' ' HB ' ' A' ' 3' ' ' VAL . 14.0 p90 -85.45 163.26 18.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.037 178.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -146.6 -22.4 0.42 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.006 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.548 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 10.8 m-85 -121.55 166.29 14.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.237 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -149.44 104.38 3.37 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.0 t -53.84 125.83 48.43 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.996 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.88 -17.48 51.1 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.097 2.531 . . . . 0.0 112.891 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -101.77 -47.02 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.929 0.395 . . . . 0.0 111.505 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.5 m -91.16 -18.04 25.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.009 0.433 . . . . 0.0 111.701 -172.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt 59.7 16.97 5.89 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.292 -177.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 p -79.29 121.87 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 CA-C-O 121.567 0.699 . . . . 0.0 110.005 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 49.9 mt-30 -74.97 95.51 3.01 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.657 177.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.548 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 2.5 p -93.14 148.26 22.17 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.747 -176.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.723 ' SG ' ' HE3' ' A' ' 11' ' ' LYS . 31.0 p -75.86 -29.96 58.74 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.627 -176.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.449 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 67.4 m -159.37 169.78 23.23 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.689 -176.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -60.81 -30.69 70.23 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -178.251 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -52.22 -41.13 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.389 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.434 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 11.4 m -84.26 -24.96 29.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.74 0.305 . . . . 0.0 110.99 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.468 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 12.2 m -66.81 -36.36 82.19 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 176.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -6.41 57.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.863 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.488 ' O ' HG22 ' A' ' 35' ' ' THR . 23.1 tptm -69.5 -45.07 69.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.61 -178.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -75.31 -13.51 60.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.373 . . . . 0.0 111.233 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.468 ' HE3' ' O ' ' A' ' 30' ' ' SER . 96.9 mttt -75.58 -25.77 57.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.707 0.289 . . . . 0.0 110.981 -173.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 32' ' ' LYS . 14.1 t -83.87 -1.63 54.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.337 -177.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -132.43 -2.3 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.643 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -128.51 -8.49 5.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.824 0.345 . . . . 0.0 110.791 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 67.26 14.16 9.63 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.972 -177.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.7 t . . . . . 0 C--N 1.327 -0.409 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.134 178.533 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.645 HG12 ' HD1' ' A' ' 13' ' ' PHE . 1.3 p . . . . . 0 N--CA 1.444 -0.742 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.567 ' N ' HG13 ' A' ' 3' ' ' VAL . 59.1 mt -123.27 134.13 54.12 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.159 161.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.481 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 42.2 t -41.8 125.62 2.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.076 -1.42 . . . . 0.0 112.444 -177.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.87 -19.07 65.07 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.428 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.0 t -91.75 -63.68 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.527 ' SG ' HG13 ' A' ' 10' ' ' ILE . 27.8 p -94.29 -22.78 18.15 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.315 0.579 . . . . 0.0 111.449 -173.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.04 34.77 89.2 Favored Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.029 -0.987 . . . . 0.0 114.824 173.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.527 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.6 pp -122.69 -10.38 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 118.302 1.051 . . . . 0.0 113.442 -177.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -154.21 175.81 13.03 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.572 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -60.94 155.56 19.6 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.689 0.757 . . . . 0.0 112.403 -178.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.645 ' HD1' HG12 ' A' ' 3' ' ' VAL . 7.9 p90 -83.98 155.39 22.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.819 176.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -139.01 -12.07 1.25 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.515 176.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.431 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 44.2 m-85 -132.37 172.38 12.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.318 -179.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -155.42 102.48 2.26 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.9 t -48.71 127.24 13.7 Favored Pre-proline 0 C--O 1.225 -0.226 0 O-C-N 123.35 0.406 . . . . 0.0 111.258 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.96 -16.04 53.44 Favored 'Trans proline' 0 CA--C 1.526 0.122 0 C-N-CA 122.616 2.211 . . . . 0.0 112.237 178.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -102.08 -47.6 4.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.482 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.474 ' HB2' HG12 ' A' ' 22' ' ' VAL . 64.4 m -89.6 -20.65 23.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.199 0.523 . . . . 0.0 111.47 -175.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt 61.19 18.87 9.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.447 -172.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.474 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.8 p -80.03 123.51 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-O 121.623 0.725 . . . . 0.0 110.241 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 45.2 mt-30 -73.92 102.28 4.05 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.568 -1.196 . . . . 0.0 109.687 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.431 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 1.5 p -100.49 148.64 24.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.732 -176.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.481 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 28.5 p -76.16 -31.26 58.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.959 -175.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -161.09 170.57 20.18 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.011 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.4 mt -56.89 -30.46 63.93 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.365 0.415 . . . . 0.0 111.244 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.487 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 10.8 tp10 -51.21 -43.77 61.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.851 176.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 19.0 m -86.29 -25.51 25.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.154 -179.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.582 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 13.5 m -64.94 -33.64 76.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.898 0.38 . . . . 0.0 110.017 178.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.487 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 65.3 pttt -96.37 -10.93 26.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.183 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 23.7 tptp -62.31 -45.17 94.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.841 -176.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -77.19 -12.57 59.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.057 -177.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.582 ' HE3' ' O ' ' A' ' 30' ' ' SER . 96.1 mttt -74.77 -35.42 62.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.894 0.378 . . . . 0.0 110.525 -174.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.6 t -78.36 -11.57 59.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.548 -176.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -114.74 -22.12 9.85 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -176.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -121.95 7.82 9.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.645 0.26 . . . . 0.0 111.567 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 58.62 43.43 19.04 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.241 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.9 t . . . . . 0 C--N 1.322 -0.619 0 CA-C-O 121.318 0.58 . . . . 0.0 110.941 -177.048 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' VAL . . . . . 0.72 HG12 ' HD2' ' A' ' 13' ' ' PHE . 1.5 p . . . . . 0 N--CA 1.443 -0.794 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.477 ' N ' HG13 ' A' ' 3' ' ' VAL . 41.6 mt -118.15 133.83 55.55 Favored 'General case' 0 N--CA 1.438 -1.073 0 C-N-CA 119.824 -0.751 . . . . 0.0 109.339 160.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.544 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 41.7 t -40.85 127.06 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.425 -176.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.43 -25.59 68.74 Favored Glycine 0 CA--C 1.519 0.299 0 CA-C-N 115.584 -0.735 . . . . 0.0 113.514 -175.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.1 t -86.18 -63.52 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 117.027 0.414 . . . . 0.0 111.818 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.698 ' SG ' HG13 ' A' ' 10' ' ' ILE . 30.8 p -89.75 -12.74 38.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.959 0.409 . . . . 0.0 111.26 -174.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.68 18.13 80.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.142 -0.552 . . . . 0.0 114.057 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.698 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.8 pp -134.14 158.19 42.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-N 117.856 0.828 . . . . 0.0 110.843 -178.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER 55.57 160.25 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.205 1.402 . . . . 0.0 113.359 179.127 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.425 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 28.1 mt-10 -68.39 146.72 52.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.983 179.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.72 ' HD2' HG12 ' A' ' 3' ' ' VAL . 17.3 p90 -69.94 156.45 39.09 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.865 -176.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -132.59 -20.19 2.33 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.835 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.482 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 32.2 m-85 -128.14 179.69 5.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.223 -178.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -163.05 102.87 0.99 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 t -45.28 124.86 5.7 Favored Pre-proline 0 N--CA 1.465 0.295 0 O-C-N 123.472 0.482 . . . . 0.0 111.024 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.85 -15.92 41.24 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.987 2.458 . . . . 0.0 112.3 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -105.03 -58.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.449 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' CYS . . . . . 0.467 ' HB2' HG12 ' A' ' 22' ' ' VAL . 74.8 m -72.3 -26.09 61.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.176 0.512 . . . . 0.0 111.259 -176.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mt 65.61 14.95 9.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.414 -174.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.467 HG12 ' HB2' ' A' ' 20' ' ' CYS . 13.1 p -76.79 120.22 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-O 121.611 0.72 . . . . 0.0 109.455 178.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.459 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 22.9 mt-30 -76.5 101.23 5.54 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.181 179.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.482 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 4.0 p -92.9 159.74 15.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.253 -177.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 27.4 p -86.05 -27.17 24.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.633 -177.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.409 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 18.8 m -156.42 177.54 11.34 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.59 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.79 -33.58 75.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.55 0.214 . . . . 0.0 110.704 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -52.55 -53.39 46.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.507 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 15.5 m -69.21 -25.52 64.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.502 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.431 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 41.8 m -70.61 -35.83 73.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.917 0.389 . . . . 0.0 110.329 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.455 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 22.1 pttp -94.84 -7.74 39.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.029 0.442 . . . . 0.0 110.757 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.507 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 17.4 mttm -63.39 -45.31 91.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.242 177.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -76.18 -17.29 59.61 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.085 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HD2' ' HA ' ' A' ' 31' ' ' LYS . 95.4 mttt -75.65 -33.85 60.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.018 0.437 . . . . 0.0 110.439 -178.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 32' ' ' LYS . 10.5 t -82.81 -2.45 54.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.615 -174.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -130.85 -32.5 1.65 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.762 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -103.15 0.78 32.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.266 0.555 . . . . 0.0 109.952 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 61.57 34.03 18.02 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.945 176.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.5 t . . . . . 0 C--N 1.323 -0.576 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.027 176.738 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.832 -0.507 . . . . 0.0 111.832 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 72.2 Cg_endo -78.38 12.01 2.23 Favored 'Trans proline' 0 CA--C 1.53 0.303 0 C-N-CA 122.772 2.315 . . . . 0.0 113.062 -179.421 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 60.67 38.54 18.42 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 115.967 -0.561 . . . . 0.0 111.23 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 mmt -99.44 73.87 1.88 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.258 177.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.52 149.88 44.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.295 -175.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.45 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 61.5 t -100.44 139.51 21.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.727 -0.67 . . . . 0.0 109.789 178.626 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 53.7 mt -80.59 155.12 27.05 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.122 0.487 . . . . 0.0 111.026 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.549 ' HB3' ' H ' ' A' ' 9' ' ' GLY . 52.1 t -56.16 124.36 17.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.149 -0.932 . . . . 0.0 110.31 176.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.425 ' HA3' HG23 ' A' ' 22' ' ' VAL . . . -63.11 -21.26 63.67 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.119 -0.562 . . . . 0.0 113.161 -178.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 72.9 t -90.59 -63.65 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.845 0.323 . . . . 0.0 111.722 -179.624 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.7 p -99.3 -30.59 12.15 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.403 -173.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.549 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 47.95 63.81 3.35 Favored Glycine 0 N--CA 1.463 0.435 0 N-CA-C 114.477 0.551 . . . . 0.0 114.477 175.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.429 HD12 ' HG2' ' A' ' 11' ' ' LYS . 1.9 pp -136.08 10.28 0.94 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.309 0 N-CA-C 112.768 0.655 . . . . 0.0 112.768 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' HG2' HD12 ' A' ' 10' ' ' ILE . 13.6 ptmm? -158.96 -66.72 0.08 Allowed 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 120.793 -0.363 . . . . 0.0 111.664 178.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.428 ' H ' ' HG3' ' A' ' 11' ' ' LYS . 37.2 tt0 -177.31 175.26 1.5 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 -175.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.45 ' CD1' ' HB ' ' A' ' 3' ' ' VAL . 15.7 p90 -107.55 165.49 11.38 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.792 0.33 . . . . 0.0 110.402 173.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -143.9 -19.0 0.58 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.244 176.468 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.569 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 31.6 m-85 -125.85 178.09 5.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.486 -178.052 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.4 ttpt -160.4 104.13 1.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 175.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.7 t -53.69 130.96 55.96 Favored Pre-proline 0 CA--C 1.53 0.192 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.385 -179.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -63.51 -19.06 67.07 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 123.142 2.562 . . . . 0.0 112.715 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.532 ' NH1' ' HA ' ' A' ' 39' ' ' CYS . 39.1 mtp180 -100.92 -56.11 2.4 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.226 0.536 . . . . 0.0 111.412 178.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.481 ' HB2' HG12 ' A' ' 22' ' ' VAL . 57.0 m -80.44 -18.46 48.73 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.586 -0.733 . . . . 0.0 111.277 -171.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.9 mt 60.38 13.04 3.78 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 115.255 -0.884 . . . . 0.0 110.752 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.481 HG12 ' HB2' ' A' ' 20' ' ' CYS . 12.6 p -75.36 121.92 28.06 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.947 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.551 -179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.535 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 25.0 mt-30 -82.4 92.93 7.1 Favored 'General case' 0 C--N 1.311 -1.109 0 CA-C-N 114.979 -1.01 . . . . 0.0 109.814 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.569 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 21.7 p -85.78 157.0 20.36 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.026 -176.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.461 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 31.4 p -83.97 -24.35 30.67 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.481 -178.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 53.4 m -159.01 169.46 24.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.978 -177.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.96 -28.85 69.28 Favored 'General case' 0 C--N 1.327 -0.372 0 O-C-N 123.411 0.444 . . . . 0.0 110.454 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.467 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . 36.1 tt0 -59.86 -38.29 81.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.316 179.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 6.5 m -80.63 -26.14 37.93 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.742 0.305 . . . . 0.0 110.584 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.414 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 53.3 m -68.18 -42.16 80.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.965 0.412 . . . . 0.0 110.308 175.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.467 ' HE3' ' HA ' ' A' ' 28' ' ' GLU . 21.5 pttp -81.31 -7.06 59.51 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.857 0.36 . . . . 0.0 110.726 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.8 tttm -76.14 -42.57 46.35 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.9 -177.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -74.12 -19.7 60.5 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.028 0.442 . . . . 0.0 111.13 -178.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 30' ' ' SER . 91.6 mttt -69.83 -32.04 70.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.475 -172.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 5.9 t -82.99 -5.67 59.18 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.57 -172.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -126.81 -30.07 2.79 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.307 -177.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -102.95 -0.98 30.21 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.583 -0.281 . . . . 0.0 110.625 -176.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.3 m-80 61.24 70.27 0.62 Allowed 'General case' 0 C--O 1.232 0.177 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.981 178.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.532 ' HA ' ' NH1' ' A' ' 19' ' ' ARG . 49.3 t -132.48 147.69 52.37 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.551 -176.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 21.6 m -116.43 -31.0 5.72 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.19 0.519 . . . . 0.0 109.987 174.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 88.31 50.4 3.43 Favored Glycine 0 N--CA 1.449 -0.481 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.6 175.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -125.02 17.45 8.5 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 178.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.9 m 77.58 -56.41 0.51 Allowed 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 114.797 -1.092 . . . . 0.0 111.552 179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 54.6 m80 -117.53 39.77 3.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.063 0.459 . . . . 0.0 111.084 179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 . . . . . 0 C--O 1.245 0.836 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.275 176.596 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.666 0 N-CA-C 111.887 -0.485 . . . . 0.0 111.887 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -73.27 88.45 0.98 Allowed 'Trans proline' 0 N--CA 1.462 -0.341 0 C-N-CA 122.42 2.08 . . . . 0.0 112.048 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -74.33 -2.77 26.62 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.993 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.8 ptp -71.91 -14.02 61.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.371 174.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.31 147.25 24.2 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.817 179.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.407 ' O ' ' HD1' ' A' ' 13' ' ' PHE . 97.1 t -110.88 143.29 21.07 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.051 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.26 -178.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.517 HD23 ' H ' ' A' ' 12' ' ' GLU . 42.8 mt -80.36 155.18 27.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.117 0.484 . . . . 0.0 111.071 178.181 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.546 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 53.9 t -56.2 126.14 24.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.205 -0.907 . . . . 0.0 110.831 178.205 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.88 -16.84 66.72 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.837 -0.697 . . . . 0.0 113.142 -178.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.2 t -93.11 -59.03 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.6 p -107.33 -20.03 13.4 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 120.942 -0.303 . . . . 0.0 111.671 -174.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 44.75 59.97 4.06 Favored Glycine 0 N--CA 1.465 0.604 0 N-CA-C 114.992 0.757 . . . . 0.0 114.992 175.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.1 pp -142.02 -7.23 0.37 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.433 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.753 ' HE2' ' SG ' ' A' ' 25' ' ' CYS . 54.1 pttt -152.72 44.83 0.68 Allowed 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 120.529 -0.469 . . . . 0.0 112.228 -176.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.517 ' H ' HD23 ' A' ' 4' ' ' LEU . 2.6 mp0 60.66 -172.13 0.14 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.038 0.447 . . . . 0.0 111.217 -178.719 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.408 ' CB ' ' HB3' ' A' ' 23' ' ' GLN . 16.9 p90 -116.0 164.18 14.82 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.27 176.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.6 tttp -141.71 -19.56 0.75 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.651 175.135 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.555 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 12.4 m-85 -122.6 179.39 4.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.181 -179.568 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -164.57 95.48 0.73 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.59 -0.893 . . . . 0.0 108.59 175.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.415 ' SG ' ' HA2' ' A' ' 41' ' ' GLY . 42.9 t -47.4 126.96 9.93 Favored Pre-proline 0 N--CA 1.464 0.237 0 O-C-N 123.622 0.576 . . . . 0.0 111.185 -176.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.559 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 19.0 Cg_endo -61.73 -18.41 60.27 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.89 2.393 . . . . 0.0 112.478 -177.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 56.7 mtp180 -99.27 -54.08 3.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.175 0.512 . . . . 0.0 110.916 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.42 ' HB2' HG12 ' A' ' 22' ' ' VAL . 61.1 m -82.44 -21.77 35.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.851 -171.872 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.1 mt 62.32 15.9 8.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.977 -178.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.42 HG12 ' HB2' ' A' ' 20' ' ' CYS . 11.2 p -79.69 122.24 34.52 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.953 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.475 178.457 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.546 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 48.0 mt-30 -77.99 93.01 4.38 Favored 'General case' 0 C--N 1.312 -1.027 0 CA-C-N 115.034 -0.984 . . . . 0.0 110.071 179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.555 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 13.1 p -86.09 153.65 21.94 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.871 -178.481 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.753 ' SG ' ' HE2' ' A' ' 11' ' ' LYS . 27.9 p -76.01 -32.11 59.25 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.094 -179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.52 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 49.8 m -160.14 174.91 13.57 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.143 -176.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER -64.57 -29.29 70.31 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.758 0.313 . . . . 0.0 110.447 -176.957 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -59.64 -30.94 69.07 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-O 120.838 0.351 . . . . 0.0 111.008 179.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.459 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 4.6 m -88.57 -27.49 21.34 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.741 0.305 . . . . 0.0 110.777 176.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.413 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 57.8 m -64.66 -36.05 83.0 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.955 0.407 . . . . 0.0 109.978 175.175 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -84.57 -10.48 57.36 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.862 0.363 . . . . 0.0 110.747 178.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.459 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 23.0 tptp -69.97 -41.13 74.87 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.451 -177.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -77.61 -15.27 59.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.299 -178.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 30' ' ' SER . 96.3 mttt -72.11 -19.86 61.73 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.342 -171.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.7 t -98.46 5.22 48.21 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.247 -176.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.8 ptp180 -135.84 -27.19 1.15 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.692 0.282 . . . . 0.0 111.577 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -104.73 -3.51 23.54 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.677 0.275 . . . . 0.0 110.806 178.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 10.1 t30 57.47 84.83 0.09 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.486 -0.779 . . . . 0.0 110.514 -176.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 46.4 t -149.14 154.73 39.62 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.722 -0.672 . . . . 0.0 109.968 -172.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 38.1 m -113.47 -8.82 13.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.171 0.51 . . . . 0.0 110.455 173.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.415 ' HA2' ' SG ' ' A' ' 17' ' ' CYS . . . 70.94 44.93 54.36 Favored Glycine 0 C--N 1.334 0.441 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.27 -179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -151.84 150.05 29.68 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 -176.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.559 ' OG1' ' HB2' ' A' ' 18' ' ' PRO . 94.3 m -141.04 91.57 2.42 Favored 'General case' 0 C--N 1.314 -0.943 0 C-N-CA 119.997 -0.681 . . . . 0.0 112.129 -174.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -87.37 69.52 9.92 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 171.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.6 t70 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.542 -0.742 . . . . 0.0 110.126 -174.149 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.777 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -76.77 -6.04 16.5 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.579 2.186 . . . . 0.0 112.441 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 44.2 t60 68.79 -82.03 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 C-N-CA 123.245 0.618 . . . . 0.0 110.576 179.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 mmt 53.76 78.09 0.16 Allowed 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 122.923 0.489 . . . . 0.0 111.64 177.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.78 179.66 0.18 Allowed 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.266 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.42 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 78.5 t -132.67 131.28 59.76 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.784 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.65 179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 39.0 mt -73.1 140.73 47.34 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.212 173.447 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.513 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 49.8 t -45.35 120.41 2.48 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.069 -0.968 . . . . 0.0 111.35 179.16 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.62 -21.56 62.92 Favored Glycine 0 N--CA 1.453 -0.204 0 CA-C-N 116.046 -0.525 . . . . 0.0 113.156 -176.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 81.6 t -87.76 -67.22 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 111.679 0.251 . . . . 0.0 111.679 -178.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.515 ' SG ' HG13 ' A' ' 10' ' ' ILE . 25.0 p -91.2 -30.42 16.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.287 0.565 . . . . 0.0 111.365 -172.351 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 66.7 34.68 88.16 Favored Glycine 0 C--N 1.332 0.315 0 CA-C-N 115.213 -0.903 . . . . 0.0 114.572 172.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.515 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.4 pp -117.65 -10.33 11.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 117.968 0.884 . . . . 0.0 112.63 -178.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.484 ' HG2' HD12 ' A' ' 10' ' ' ILE . 19.3 ptpt -155.41 171.51 19.77 Favored 'General case' 0 C--O 1.238 0.484 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 177.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -65.43 161.49 19.79 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.473 0.654 . . . . 0.0 111.048 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CG ' ' HB3' ' A' ' 23' ' ' GLN . 25.5 p90 -85.12 166.37 16.68 Favored 'General case' 0 C--N 1.318 -0.801 0 CA-C-N 115.13 -0.941 . . . . 0.0 111.887 -176.21 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.0 tttm -139.57 -15.11 1.07 Allowed 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.942 176.597 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.477 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 38.8 m-85 -127.65 172.62 10.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.466 -178.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -156.27 99.34 1.92 Allowed 'General case' 0 C--N 1.322 -0.609 0 N-CA-C 108.987 -0.745 . . . . 0.0 108.987 178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.0 t -50.6 131.46 27.23 Favored Pre-proline 0 N--CA 1.464 0.273 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.997 -175.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 20.7 Cg_endo -62.48 -21.17 72.45 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 123.417 2.745 . . . . 0.0 112.915 179.345 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 54.1 mtp180 -102.47 -52.5 3.1 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.132 0.491 . . . . 0.0 111.095 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.427 ' HB2' HG12 ' A' ' 22' ' ' VAL . 56.0 m -83.0 -21.76 33.81 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.656 -172.404 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.1 mt 64.28 5.84 2.73 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.173 -174.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.427 HG12 ' HB2' ' A' ' 20' ' ' CYS . 12.5 p -69.67 128.66 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.724 0 CA-C-O 121.762 0.791 . . . . 0.0 109.841 -179.413 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.561 ' HB3' ' CG ' ' A' ' 13' ' ' PHE . 41.4 mt-30 -85.69 105.84 16.53 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-N 114.484 -1.234 . . . . 0.0 109.706 -178.141 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.477 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 3.4 p -101.79 148.5 25.21 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.314 -0.857 . . . . 0.0 111.05 -175.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.513 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 21.0 p -77.59 -24.54 49.67 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.958 -174.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.9 m -159.28 168.15 27.15 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.16 -178.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.423 HD13 ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -61.62 -30.94 71.02 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.366 0.416 . . . . 0.0 110.13 -176.706 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -54.46 -47.22 73.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.676 176.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.43 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 51.3 m -75.53 -26.93 58.47 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.562 178.578 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.452 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 11.8 m -65.5 -26.29 67.85 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.953 0.406 . . . . 0.0 110.481 178.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -109.56 -2.06 17.81 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.124 0.488 . . . . 0.0 110.87 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.43 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 27.9 tptp -66.71 -42.1 86.91 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.28 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -74.51 -12.71 60.55 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.168 -178.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.452 ' HE3' ' O ' ' A' ' 30' ' ' SER . 98.6 mttt -74.71 -23.85 58.66 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.807 0.336 . . . . 0.0 110.935 -174.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 32' ' ' LYS . 10.8 t -94.91 -2.39 50.7 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.05 -176.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -121.59 -44.78 2.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.413 -178.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -100.32 -0.48 38.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.833 -176.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 60.57 91.86 0.05 Allowed 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.469 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 52.2 t -141.68 137.21 31.59 Favored 'General case' 0 C--N 1.317 -0.841 0 CA-C-O 121.124 0.488 . . . . 0.0 110.928 -175.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.1 p -84.35 -29.78 26.01 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.726 177.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 68.92 25.6 75.21 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.416 -0.811 . . . . 0.0 111.358 -173.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 17.7 mt-30 -134.83 42.39 2.8 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 -173.706 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.4 p 47.07 -100.77 0.06 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.423 0.689 . . . . 0.0 112.602 -174.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 67.72 -75.18 0.06 Allowed 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 123.116 0.567 . . . . 0.0 111.132 -178.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 . . . . . 0 C--O 1.246 0.898 0 CA-C-O 119.023 -0.513 . . . . 0.0 110.069 -179.06 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.734 0 N-CA-C 111.571 -0.612 . . . . 0.0 111.571 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo -59.61 140.05 91.89 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.729 2.286 . . . . 0.0 112.093 178.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 23.3 p80 -83.23 38.66 0.61 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.476 0.655 . . . . 0.0 110.771 -179.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptp -143.19 36.73 1.37 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.014 177.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.26 154.55 27.8 Favored 'General case' 0 N--CA 1.444 -0.761 0 CA-C-N 114.833 -1.076 . . . . 0.0 110.059 -179.595 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 60.2 t -118.73 133.38 65.77 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.139 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.445 -177.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 81.1 mt -79.43 153.64 29.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.922 175.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.506 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 41.8 t -49.84 129.8 20.6 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.386 -0.825 . . . . 0.0 111.38 178.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -70.13 -17.01 73.5 Favored Glycine 0 N--CA 1.451 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 112.912 -178.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 96.0 t -93.46 -70.86 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 122.836 -0.214 . . . . 0.0 111.456 179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.553 ' SG ' HG13 ' A' ' 10' ' ' ILE . 25.5 p -88.04 -35.31 17.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.323 0.582 . . . . 0.0 110.904 -174.189 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.499 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 69.58 24.58 76.15 Favored Glycine 0 C--O 1.226 -0.376 0 CA-C-N 115.216 -0.902 . . . . 0.0 114.736 172.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.553 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.3 pp -102.16 -16.14 7.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 117.82 0.81 . . . . 0.0 111.819 -176.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.517 ' N ' HD12 ' A' ' 10' ' ' ILE . 6.4 ptpp? -146.98 177.67 8.96 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.873 -0.418 . . . . 0.0 109.873 175.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -61.98 167.42 3.85 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.579 0.704 . . . . 0.0 111.783 -178.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.411 ' CG ' ' HB3' ' A' ' 23' ' ' GLN . 18.1 p90 -93.2 164.66 13.16 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.162 -0.926 . . . . 0.0 110.372 178.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 64.0 tttp -145.64 -23.31 0.47 Allowed 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.619 -0.719 . . . . 0.0 109.831 177.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.565 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 17.8 m-85 -116.63 179.69 3.93 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.96 -178.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -166.76 94.9 0.51 Allowed 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.0 t -46.22 124.44 7.06 Favored Pre-proline 0 C--O 1.226 -0.153 0 O-C-N 123.766 0.666 . . . . 0.0 111.125 -177.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 40.2 Cg_endo -67.14 -10.15 27.58 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.556 2.171 . . . . 0.0 111.856 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 40' ' ' SER . 16.3 mtp180 -102.36 -47.68 4.41 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.406 177.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.408 ' HB2' HG12 ' A' ' 22' ' ' VAL . 80.3 m -92.19 -25.31 18.73 Favored 'General case' 0 N--CA 1.466 0.356 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -174.667 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.7 mt 70.58 6.34 5.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.127 -173.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.408 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.6 p -68.93 125.61 27.18 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.669 0 CA-C-O 121.603 0.716 . . . . 0.0 110.149 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.411 ' HB3' ' CG ' ' A' ' 13' ' ' PHE . 45.5 mt-30 -79.21 96.27 5.86 Favored 'General case' 0 C--N 1.312 -1.044 0 CA-C-N 114.692 -1.14 . . . . 0.0 109.954 179.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.565 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 8.2 p -91.84 154.4 18.92 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.062 -177.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.506 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 31.5 p -80.26 -31.45 38.41 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.449 -178.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.554 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 59.8 m -160.08 177.45 10.7 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.546 -176.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.1 mt -62.67 -31.59 72.5 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 123.19 0.306 . . . . 0.0 111.409 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -53.59 -43.34 68.5 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-O 121.332 0.587 . . . . 0.0 111.803 177.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.448 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 19.4 m -83.7 -23.6 31.6 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.622 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.579 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 8.5 t -68.69 -29.72 68.24 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.59 177.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.418 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 17.5 ptpt -96.15 -13.61 23.43 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.625 178.311 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.549 ' O ' HG22 ' A' ' 35' ' ' THR . 51.2 tptt -63.03 -45.11 93.83 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.102 -174.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -74.7 -14.33 60.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.978 0.418 . . . . 0.0 110.733 -177.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.579 ' HE3' ' O ' ' A' ' 30' ' ' SER . 94.5 mttt -74.93 -32.83 61.86 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.073 0.463 . . . . 0.0 110.486 -177.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 32' ' ' LYS . 7.1 t -84.58 2.32 41.94 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.181 -175.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -126.39 -38.67 2.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.492 -179.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -109.41 0.78 19.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 111.63 0.233 . . . . 0.0 111.63 -177.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 64.1 t30 58.38 87.51 0.07 Allowed 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.982 -178.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.1 t -137.44 166.67 23.29 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 121.2 0.524 . . . . 0.0 111.04 -175.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.516 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 42.3 m -135.48 175.89 9.18 Favored 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 115.18 -0.918 . . . . 0.0 108.838 177.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -117.01 50.46 0.79 Allowed Glycine 0 N--CA 1.447 -0.611 0 C-N-CA 120.023 -1.084 . . . . 0.0 112.505 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.42 ' OE1' ' HB3' ' A' ' 40' ' ' SER . 23.2 mp0 -132.33 128.61 38.07 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 176.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.6 m -75.76 132.88 40.74 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.791 -0.364 . . . . 0.0 111.203 -173.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 44.4 t-80 -135.54 114.89 12.5 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.595 -0.717 . . . . 0.0 110.389 -178.175 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 111.848 -0.501 . . . . 0.0 111.848 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo -62.61 126.32 18.05 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 122.768 2.312 . . . . 0.0 112.127 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 40.0 m-70 -83.62 8.06 15.46 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.025 -178.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -90.42 13.0 16.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.607 0.718 . . . . 0.0 109.728 174.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.465 ' O ' ' HB ' ' A' ' 3' ' ' VAL . . . -156.54 170.88 21.34 Favored 'General case' 0 CA--C 1.507 -0.706 0 CA-C-N 114.701 -1.136 . . . . 0.0 108.164 177.117 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.801 HG12 ' HD2' ' A' ' 13' ' ' PHE . 1.4 p 169.86 -178.55 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.311 -1.1 0 N-CA-C 107.469 -1.308 . . . . 0.0 107.469 -169.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.451 ' N ' HG13 ' A' ' 3' ' ' VAL . 65.9 mt -116.76 129.23 55.98 Favored 'General case' 0 C--N 1.312 -1.024 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 162.425 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 41.5 t -36.01 120.44 0.62 Allowed 'General case' 0 C--O 1.222 -0.381 0 O-C-N 124.659 1.224 . . . . 0.0 112.538 -178.1 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.15 -23.41 52.46 Favored Glycine 0 CA--C 1.52 0.391 0 CA-C-N 116.12 -0.491 . . . . 0.0 113.948 -174.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 91.5 t -86.64 -62.69 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 111.973 0.36 . . . . 0.0 111.973 -178.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.457 ' SG ' HG13 ' A' ' 10' ' ' ILE . 21.6 p -97.77 -23.74 15.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.955 -173.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 50.5 66.95 2.11 Favored Glycine 0 C--O 1.235 0.192 0 CA-C-N 116.17 -0.468 . . . . 0.0 114.146 176.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.553 HD12 ' N ' ' A' ' 11' ' ' LYS . 1.9 pp -138.59 -24.47 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 N-CA-C 112.311 0.486 . . . . 0.0 112.311 177.017 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.553 ' N ' HD12 ' A' ' 10' ' ' ILE . 5.4 ptpp? -143.46 177.57 8.37 Favored 'General case' 0 C--O 1.237 0.435 0 CA-C-O 120.815 0.341 . . . . 0.0 111.138 177.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.472 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 31.7 tt0 -63.77 146.1 54.53 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.919 -177.766 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.801 ' HD2' HG12 ' A' ' 3' ' ' VAL . 17.9 p90 -70.98 155.4 40.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.929 -178.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 52.6 tttp -131.9 -19.04 2.63 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.707 -0.678 . . . . 0.0 109.729 178.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.529 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 26.3 m-85 -130.28 178.0 6.91 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.987 -179.136 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.3 ttpt -163.86 101.84 0.89 Allowed 'General case' 0 C--N 1.322 -0.629 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 176.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.7 t -47.86 122.51 9.22 Favored Pre-proline 0 C--O 1.224 -0.28 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.084 178.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_endo -62.39 -14.84 41.37 Favored 'Trans proline' 0 CA--C 1.531 0.326 0 C-N-CA 122.784 2.322 . . . . 0.0 112.739 -178.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -102.27 -47.59 4.46 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.597 -0.274 . . . . 0.0 111.687 179.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.462 ' HB2' HG12 ' A' ' 22' ' ' VAL . 73.5 m -82.3 -28.71 31.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.277 0.561 . . . . 0.0 111.144 -177.349 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.7 mt 66.67 13.89 9.54 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 114.741 -1.118 . . . . 0.0 110.527 -173.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.462 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.9 p -75.38 121.6 27.4 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.686 0 CA-C-O 121.63 0.729 . . . . 0.0 109.616 177.43 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.526 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 36.1 mt-30 -78.46 100.56 6.9 Favored 'General case' 0 C--N 1.312 -1.062 0 CA-C-N 114.771 -1.104 . . . . 0.0 110.05 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 7.2 p -93.85 160.64 14.65 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.018 -177.637 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.498 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 22.1 p -92.21 -20.44 21.18 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.582 -177.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.404 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 59.4 p -155.16 176.06 13.04 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.962 -178.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.1 mt -67.93 -26.76 66.13 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 173.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -59.72 -48.38 81.91 Favored 'General case' 0 C--N 1.333 -0.111 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.279 178.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.3 m -74.61 -22.11 59.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.085 179.023 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.405 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 48.5 m -73.49 -33.76 64.98 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.816 0.341 . . . . 0.0 110.683 179.696 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 21.9 pttp -92.61 -10.49 37.26 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.149 0.499 . . . . 0.0 110.304 177.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.533 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 51.9 tptt -60.96 -43.42 98.78 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.467 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -79.25 -13.61 59.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.862 0.363 . . . . 0.0 110.778 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.406 ' HD2' ' HA ' ' A' ' 31' ' ' LYS . 94.1 mttt -78.07 -39.65 41.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.117 0.484 . . . . 0.0 110.081 -178.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.1 t -75.78 -9.46 58.61 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.471 -176.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.533 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 13.2 ptm180 -114.66 -39.29 3.79 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.689 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.15 9.28 21.9 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.613 0.244 . . . . 0.0 111.522 -173.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 57.41 38.26 28.24 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.78 -0.646 . . . . 0.0 112.513 174.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 50.0 t -80.99 137.07 36.09 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.919 0.39 . . . . 0.0 110.412 178.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 18.3 m -91.86 -12.11 34.53 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.22 175.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 44.05 54.64 6.01 Favored Glycine 0 C--N 1.335 0.511 0 CA-C-N 115.753 -0.658 . . . . 0.0 114.058 173.058 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -159.06 127.03 5.03 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 17.5 p -103.62 -16.79 15.39 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 172.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 34.9 t60 69.71 8.9 6.96 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 114.529 -1.214 . . . . 0.0 110.568 178.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.6 t70 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.415 -0.803 . . . . 0.0 109.708 -178.754 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.681 0 N-CA-C 111.563 -0.615 . . . . 0.0 111.563 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.84 116.46 4.13 Favored 'Trans proline' 0 N--CA 1.462 -0.335 0 C-N-CA 122.5 2.133 . . . . 0.0 112.047 179.302 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 59.5 t-80 -80.14 79.89 6.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.949 -0.569 . . . . 0.0 109.691 179.209 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt -87.78 142.28 27.94 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.512 -178.352 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.506 ' O ' ' HB ' ' A' ' 3' ' ' VAL . . . -162.63 175.69 11.12 Favored 'General case' 0 CA--C 1.506 -0.745 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.74 HG12 ' HD1' ' A' ' 13' ' ' PHE . 1.4 p 168.14 -175.63 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.311 -1.082 0 N-CA-C 106.693 -1.595 . . . . 0.0 106.693 -170.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.505 ' N ' HG13 ' A' ' 3' ' ' VAL . 45.6 mt -118.25 134.98 54.56 Favored 'General case' 0 C--N 1.31 -1.144 0 C-N-CA 119.738 -0.785 . . . . 0.0 109.199 160.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 42.3 t -39.37 120.44 1.05 Allowed 'General case' 0 C--N 1.33 -0.27 0 O-C-N 124.521 1.138 . . . . 0.0 111.804 -177.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.4 -19.31 40.03 Favored Glycine 0 CA--C 1.517 0.197 0 CA-C-N 115.686 -0.688 . . . . 0.0 113.908 -174.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.446 HG11 ' HD3' ' A' ' 32' ' ' LYS . 69.2 t -92.31 -63.05 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.682 ' SG ' HG13 ' A' ' 10' ' ' ILE . 25.9 p -96.29 -34.03 11.75 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.441 0.638 . . . . 0.0 111.635 -173.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.6 33.54 81.37 Favored Glycine 0 C--O 1.227 -0.334 0 CA-C-N 115.025 -0.989 . . . . 0.0 114.738 174.378 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.682 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.2 pp -105.23 -15.06 8.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 117.811 0.805 . . . . 0.0 112.184 -179.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.493 ' N ' HD12 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -154.8 178.92 9.6 Favored 'General case' 0 C--O 1.239 0.503 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 178.01 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.557 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 20.0 mp0 -62.63 171.63 1.95 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.714 0.768 . . . . 0.0 111.774 -177.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.74 ' HD1' HG12 ' A' ' 3' ' ' VAL . 11.9 p90 -90.34 154.87 19.37 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 115.315 -0.857 . . . . 0.0 110.894 177.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -133.87 -22.65 1.84 Allowed 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 115.252 -0.886 . . . . 0.0 109.152 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.595 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 17.8 m-85 -118.15 175.9 5.47 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.879 -179.481 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.0 tttm -164.1 99.38 0.85 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.159 -0.682 . . . . 0.0 109.159 179.199 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.3 t -51.25 130.36 32.39 Favored Pre-proline 0 C--N 1.331 -0.206 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.155 -178.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.416 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 34.4 Cg_endo -65.39 -18.46 60.21 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.937 2.425 . . . . 0.0 112.484 -178.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 61.0 mtp180 -104.24 -54.49 2.53 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.311 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.46 ' HB2' HG12 ' A' ' 22' ' ' VAL . 67.6 m -75.33 -26.02 58.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.976 0.417 . . . . 0.0 111.232 -176.473 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 5.9 mt 67.63 4.89 4.08 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.777 -172.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.46 HG12 ' HB2' ' A' ' 20' ' ' CYS . 12.4 p -66.11 121.45 15.22 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.759 0 CA-C-O 121.913 0.863 . . . . 0.0 110.083 -178.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.582 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 39.3 mt-30 -79.42 95.43 5.76 Favored 'General case' 0 C--N 1.309 -1.159 0 CA-C-N 114.378 -1.283 . . . . 0.0 109.753 179.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.538 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 8.6 p -90.41 155.43 18.94 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.026 -177.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.459 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 32.0 p -82.18 -31.82 30.22 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.255 -178.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.595 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 48.8 m -159.74 173.84 15.41 Favored 'General case' 0 C--O 1.236 0.359 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.18 -177.53 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 81.4 mt -62.8 -27.98 69.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.68 0.276 . . . . 0.0 111.011 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -53.89 -35.9 62.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.743 176.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.5 m -90.62 -28.05 18.66 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.379 179.443 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.526 ' O ' ' HG3' ' A' ' 34' ' ' LYS . 47.5 m -64.66 -42.78 95.15 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.889 0.376 . . . . 0.0 110.02 176.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 64.2 pttt -77.1 -17.38 58.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.66 179.497 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.492 ' O ' HG22 ' A' ' 35' ' ' THR . 47.7 tttp -65.74 -40.89 92.57 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.817 -176.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -78.49 -17.13 56.7 Favored 'General case' 0 N--CA 1.453 -0.284 0 C-N-CA 119.87 -0.732 . . . . 0.0 110.545 177.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.526 ' HG3' ' O ' ' A' ' 30' ' ' SER . 66.5 mttm -78.11 -32.8 50.72 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.988 -178.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.492 HG22 ' O ' ' A' ' 32' ' ' LYS . 6.1 t -71.4 -15.33 62.36 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.873 0.368 . . . . 0.0 111.481 -176.423 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -116.8 -26.4 6.96 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.048 0.388 . . . . 0.0 112.048 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -112.26 -7.66 14.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.176 0.512 . . . . 0.0 111.199 -175.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.8 m-80 59.41 29.62 19.21 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.329 178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 28.0 t -76.16 105.3 7.13 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.51 -0.768 . . . . 0.0 111.44 -176.707 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.0 t -89.8 143.6 26.66 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 175.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -77.17 75.32 1.77 Allowed Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.383 -0.913 . . . . 0.0 112.099 -176.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -135.36 89.84 2.55 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 109.16 -0.682 . . . . 0.0 109.16 -178.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.416 ' OG1' ' HB2' ' A' ' 18' ' ' PRO . 0.2 OUTLIER -68.17 85.84 0.26 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.983 0.42 . . . . 0.0 110.873 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 40.4 t-80 -75.97 -54.15 7.3 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.567 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 . . . . . 0 C--O 1.247 0.933 0 CA-C-O 118.427 -0.796 . . . . 0.0 109.614 177.649 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.717 0 N-CA-C 111.704 -0.559 . . . . 0.0 111.704 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_exo -65.34 108.59 1.2 Allowed 'Trans proline' 0 C--N 1.343 0.248 0 C-N-CA 122.868 2.379 . . . . 0.0 112.085 -178.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -73.7 4.28 5.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.471 -178.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptm -90.3 -6.65 54.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.721 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.15 150.99 40.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.907 0.384 . . . . 0.0 110.934 -177.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.448 ' O ' ' HD1' ' A' ' 13' ' ' PHE . 57.6 t -113.26 140.06 35.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.029 -178.82 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.47 ' CD1' ' H ' ' A' ' 12' ' ' GLU . 3.0 mm? -79.98 179.09 7.78 Favored 'General case' 0 N--CA 1.445 -0.725 0 CA-C-O 121.729 0.776 . . . . 0.0 110.9 176.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.478 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 45.5 t -64.73 132.79 50.59 Favored 'General case' 0 C--N 1.312 -1.022 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.53 175.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.415 ' HA3' ' CG2' ' A' ' 22' ' ' VAL . . . -68.82 -16.13 69.87 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.951 179.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.0 t -96.36 -64.06 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 O-C-N 122.524 -0.398 . . . . 0.0 111.534 178.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.443 ' SG ' HG13 ' A' ' 10' ' ' ILE . 32.0 p -91.49 -7.12 51.35 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 120.122 -0.631 . . . . 0.0 111.775 -175.294 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.464 ' HA2' ' O ' ' A' ' 5' ' ' CYS . . . 62.49 29.82 74.59 Favored Glycine 0 C--N 1.332 0.35 0 N-CA-C 114.652 0.621 . . . . 0.0 114.652 172.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.539 HD12 ' HG2' ' A' ' 11' ' ' LYS . 2.7 pp -148.39 170.09 2.96 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 CA-C-N 117.644 0.722 . . . . 0.0 111.444 -176.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.539 ' HG2' HD12 ' A' ' 10' ' ' ILE . 11.2 ptmm? 52.55 27.07 4.73 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.447 1.499 . . . . 0.0 113.991 174.224 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.47 ' H ' ' CD1' ' A' ' 4' ' ' LEU . 34.7 mt-10 65.66 171.48 0.22 Allowed 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 121.517 0.675 . . . . 0.0 111.488 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.448 ' HD1' ' O ' ' A' ' 3' ' ' VAL . 23.5 p90 -104.45 164.55 11.66 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.378 178.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.2 ttmt -141.17 -28.31 0.68 Allowed 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.209 177.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.595 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 11.1 m-85 -113.93 179.67 3.89 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.336 -178.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -163.37 104.32 0.96 Allowed 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.74 -0.664 . . . . 0.0 109.336 175.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.517 ' SG ' ' HA2' ' A' ' 41' ' ' GLY . 40.6 t -51.68 121.86 19.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.612 179.057 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -61.8 -17.86 57.47 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.72 2.28 . . . . 0.0 112.515 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 40.6 mtp180 -96.59 -46.65 6.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.556 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.485 ' HB2' HG12 ' A' ' 22' ' ' VAL . 85.5 m -89.43 -23.51 22.12 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.115 0.483 . . . . 0.0 111.521 -175.037 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.9 mt 64.6 17.09 10.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.121 -0.945 . . . . 0.0 110.412 -173.362 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.485 HG12 ' HB2' ' A' ' 20' ' ' CYS . 12.9 p -80.16 121.46 33.56 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.748 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.451 177.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.4 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 24.6 mt-30 -83.08 97.35 8.73 Favored 'General case' 0 C--N 1.311 -1.075 0 CA-C-N 115.098 -0.955 . . . . 0.0 110.366 -177.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.436 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 3.5 p -90.45 159.36 16.59 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.138 -175.2 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.478 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 28.9 p -82.18 -31.34 30.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.942 0.401 . . . . 0.0 110.497 -179.092 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.595 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 49.1 m -160.25 168.26 25.75 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.025 -177.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.6 mt -57.33 -29.28 63.84 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 120.861 0.362 . . . . 0.0 110.817 178.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.433 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 15.3 tp10 -51.56 -40.89 60.59 Favored 'General case' 0 CA--C 1.531 0.249 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.775 176.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 17.2 m -90.04 -24.18 21.26 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.859 179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.468 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 8.9 m -65.82 -36.51 83.68 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.985 0.422 . . . . 0.0 110.146 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 65.1 pttt -87.97 -7.89 56.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.858 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.424 ' O ' HG22 ' A' ' 35' ' ' THR . 24.1 tptm -64.27 -45.23 88.97 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.756 -177.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -77.11 -15.05 59.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.85 -178.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.468 ' HE3' ' O ' ' A' ' 30' ' ' SER . 94.4 mttt -76.23 -32.9 59.17 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.83 0.348 . . . . 0.0 110.8 -174.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.424 HG22 ' O ' ' A' ' 32' ' ' LYS . 11.5 t -76.5 -14.73 60.01 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.819 -175.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 13.5 ptp180 -122.15 -5.11 8.94 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -175.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -131.48 1.38 4.1 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.93 0.395 . . . . 0.0 111.311 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 53.2 m-80 61.0 28.94 18.7 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 116.06 -0.518 . . . . 0.0 112.009 178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.2 t -79.19 146.62 33.0 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.851 -0.426 . . . . 0.0 109.851 177.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.6 p -94.75 -26.69 16.16 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.4 0.619 . . . . 0.0 110.685 177.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.517 ' HA2' ' SG ' ' A' ' 17' ' ' CYS . . . 68.9 35.32 79.08 Favored Glycine 0 N--CA 1.448 -0.566 0 CA-C-N 115.372 -0.831 . . . . 0.0 112.082 -175.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 12.6 pt20 -153.93 144.41 22.34 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -177.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 11.4 p -124.38 99.78 6.36 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.772 0.32 . . . . 0.0 111.785 -176.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -89.03 -36.46 15.79 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 175.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.1 m-20 . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.057 178.236 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.562 0 N-CA-C 111.545 -0.622 . . . . 0.0 111.545 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -74.23 137.55 23.75 Favored 'Trans proline' 0 N--CA 1.461 -0.387 0 C-N-CA 122.327 2.018 . . . . 0.0 111.881 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 27.7 m-70 -80.81 73.54 7.8 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.257 0.551 . . . . 0.0 110.229 178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 87.0 mtp -95.55 171.21 8.82 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.774 -0.648 . . . . 0.0 109.959 178.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.413 ' O ' ' HB ' ' A' ' 3' ' ' VAL . . . -162.34 176.43 10.55 Favored 'General case' 0 N--CA 1.443 -0.803 0 N-CA-C 108.958 -0.756 . . . . 0.0 108.958 -177.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.805 HG12 ' HD1' ' A' ' 13' ' ' PHE . 1.6 p 171.69 -178.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.309 -1.183 0 N-CA-C 107.159 -1.423 . . . . 0.0 107.159 -169.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.424 ' N ' HG13 ' A' ' 3' ' ' VAL . 56.2 mt -117.56 135.3 54.05 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 162.454 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.516 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 51.0 t -38.89 125.36 1.48 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 114.555 -1.202 . . . . 0.0 112.747 -174.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.92 -20.03 64.01 Favored Glycine 0 N--CA 1.452 -0.262 0 CA-C-N 115.706 -0.679 . . . . 0.0 113.541 -176.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 95.3 t -93.41 -65.02 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 N-CA-C 111.961 0.356 . . . . 0.0 111.961 -178.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.717 ' SG ' HG13 ' A' ' 10' ' ' ILE . 31.3 p -88.49 -12.02 44.15 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 120.476 -0.49 . . . . 0.0 111.456 -174.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.14 15.19 81.25 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 121.116 -0.564 . . . . 0.0 114.13 173.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.717 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.7 pp -132.24 154.53 40.23 Favored 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-N 117.76 0.78 . . . . 0.0 110.665 -177.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.528 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 10.9 ptmm? 56.0 168.31 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 124.881 1.272 . . . . 0.0 112.867 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.8 mp0 -71.45 154.38 41.56 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.103 -177.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.805 ' HD1' HG12 ' A' ' 3' ' ' VAL . 18.1 p90 -75.04 155.34 37.35 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.36 177.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.9 tttm -131.62 -25.03 2.17 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.791 177.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.522 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 21.2 m-85 -121.15 -178.45 3.77 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.582 -0.735 . . . . 0.0 110.132 -179.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -164.57 96.8 0.76 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 109.1 -0.704 . . . . 0.0 109.1 -179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.9 t -49.74 126.52 18.42 Favored Pre-proline 0 C--N 1.333 -0.13 0 O-C-N 123.416 0.448 . . . . 0.0 111.46 -177.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.405 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 25.4 Cg_endo -63.3 -16.85 57.08 Favored 'Trans proline' 0 CA--C 1.53 0.3 0 C-N-CA 123.03 2.487 . . . . 0.0 112.759 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -103.58 -47.2 4.33 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.485 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.554 ' HB2' HG12 ' A' ' 22' ' ' VAL . 81.7 m -85.63 -24.62 27.04 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.955 0.407 . . . . 0.0 111.72 -174.187 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.9 mt 64.02 12.87 7.26 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.454 -172.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.554 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.6 p -74.51 120.87 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.46 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.547 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 38.4 mt-30 -79.89 97.49 6.72 Favored 'General case' 0 C--N 1.311 -1.097 0 CA-C-N 115.021 -0.991 . . . . 0.0 109.427 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.522 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 11.7 p -90.42 153.47 20.38 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.1 -0.955 . . . . 0.0 111.026 -176.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.516 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 20.5 p -84.4 -18.28 36.57 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.458 -177.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 64.2 p -162.68 178.4 8.54 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.801 -178.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.499 ' HA ' ' OG ' ' A' ' 30' ' ' SER . 87.9 mt -68.98 -22.73 64.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.153 0.502 . . . . 0.0 109.842 173.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.471 ' OE2' ' HE3' ' A' ' 31' ' ' LYS . 7.7 tp10 -60.79 -42.76 98.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.805 178.402 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.5 m -84.33 -25.37 29.28 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.981 -178.15 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.499 ' OG ' ' HA ' ' A' ' 27' ' ' LEU . 65.9 p -71.35 -34.02 70.11 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.228 -0.589 . . . . 0.0 110.37 178.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.541 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 16.6 pttp -84.93 -14.76 46.66 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.066 0.46 . . . . 0.0 110.376 177.245 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.1 tttm -66.27 -34.05 77.11 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.452 -177.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -83.91 -15.67 47.12 Favored 'General case' 0 CA--C 1.534 0.335 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.841 176.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.541 ' HD2' ' HA ' ' A' ' 31' ' ' LYS . 59.8 mttm -77.9 -26.55 49.19 Favored 'General case' 0 CA--C 1.519 -0.233 0 CA-C-O 121.035 0.445 . . . . 0.0 110.661 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.7 t -89.27 6.97 37.92 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.956 -176.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -136.83 -35.12 0.72 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.714 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -107.02 -5.1 18.33 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.164 -0.214 . . . . 0.0 111.205 179.012 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 51.48 82.34 0.06 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.273 0.558 . . . . 0.0 110.641 -176.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.533 ' O ' ' HG2' ' A' ' 34' ' ' LYS . 26.6 t -132.64 113.16 12.69 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.299 -174.264 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 10.7 t -89.63 134.92 33.9 Favored 'General case' 0 C--N 1.32 -0.715 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.09 56.87 4.31 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.298 -175.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.9 mt-30 -114.28 -6.06 12.97 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.857 0.36 . . . . 0.0 110.497 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.405 ' OG1' ' HB2' ' A' ' 18' ' ' PRO . 2.2 m 72.79 -47.31 0.67 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.637 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 47.1 m80 -59.01 -65.39 0.67 Allowed 'General case' 0 C--N 1.331 -0.233 0 O-C-N 123.343 0.402 . . . . 0.0 110.355 179.576 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 . . . . . 0 C--O 1.25 1.102 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.164 177.15 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.66 0 N-CA-C 111.771 -0.532 . . . . 0.0 111.771 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_exo -48.46 -59.85 1.09 Allowed 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 123.332 2.688 . . . . 0.0 112.994 -178.403 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 40.9 m80 54.44 51.26 14.48 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-O 121.526 0.679 . . . . 0.0 110.141 -177.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 ptm -140.5 18.41 2.38 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.238 -0.892 . . . . 0.0 110.403 -178.033 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.67 130.26 35.34 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.551 179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 69.6 t -107.42 140.37 25.93 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.934 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.335 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 76.9 mt -71.82 145.26 48.75 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.629 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.546 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 53.3 t -45.13 123.68 4.1 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.603 177.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.82 -24.42 62.44 Favored Glycine 0 N--CA 1.452 -0.247 0 CA-C-N 115.768 -0.651 . . . . 0.0 113.4 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.2 t -87.97 -67.1 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.819 0.309 . . . . 0.0 111.772 -178.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.626 ' SG ' HG13 ' A' ' 10' ' ' ILE . 21.9 p -92.38 -29.98 16.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.221 0.534 . . . . 0.0 111.786 -171.341 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 63.42 32.75 85.2 Favored Glycine 0 C--N 1.331 0.274 0 CA-C-N 115.213 -0.903 . . . . 0.0 114.946 173.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.626 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.4 pp -108.74 -14.94 9.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 117.945 0.872 . . . . 0.0 111.853 -178.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.479 ' N ' HD12 ' A' ' 10' ' ' ILE . 21.9 ptmt -150.35 173.98 13.38 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -58.98 163.7 3.36 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.725 0.774 . . . . 0.0 111.581 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.474 ' CG ' ' HB3' ' A' ' 23' ' ' GLN . 21.1 p90 -88.39 155.29 19.77 Favored 'General case' 0 C--N 1.314 -0.938 0 CA-C-N 114.793 -1.094 . . . . 0.0 110.2 179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -134.7 -17.7 1.94 Allowed 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.868 -0.605 . . . . 0.0 109.963 179.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.542 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 24.5 m-85 -125.66 -179.15 4.52 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.16 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.3 ttpp -168.09 99.57 0.45 Allowed 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.044 -0.725 . . . . 0.0 109.044 176.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.4 t -50.62 127.69 25.18 Favored Pre-proline 0 C--N 1.329 -0.309 0 O-C-N 123.56 0.538 . . . . 0.0 111.854 -177.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 16.3 Cg_endo -60.72 -19.73 62.34 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.243 2.629 . . . . 0.0 112.873 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 11.8 mtp180 -99.66 -47.47 5.07 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.012 0.434 . . . . 0.0 111.369 179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.459 ' HB2' HG12 ' A' ' 22' ' ' VAL . 64.5 m -89.83 -22.55 22.03 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.884 -171.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 8.8 mt 62.81 13.33 6.42 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.183 -176.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.459 HG12 ' HB2' ' A' ' 20' ' ' CYS . 11.1 p -78.4 120.95 30.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.786 0 N-CA-C 109.185 -0.672 . . . . 0.0 109.185 176.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.474 ' HB3' ' CG ' ' A' ' 13' ' ' PHE . 25.4 mt-30 -79.94 100.55 8.14 Favored 'General case' 0 C--N 1.311 -1.066 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.113 -178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.542 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 11.4 p -92.22 160.55 15.1 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.158 -0.928 . . . . 0.0 110.915 -176.292 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.546 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 23.9 p -89.89 -20.22 23.66 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.549 -178.361 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 54.9 p -158.11 175.51 13.7 Favored 'General case' 0 C--O 1.237 0.417 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.718 -177.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 79.1 mt -65.92 -25.65 67.24 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.062 172.544 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -59.76 -48.72 80.53 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 121.116 0.484 . . . . 0.0 110.427 178.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 35.3 m -75.79 -20.78 57.96 Favored 'General case' 0 N--CA 1.446 -0.646 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.99 179.427 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 34.2 m -74.39 -37.96 63.27 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.452 177.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.5 pttt -84.45 -13.67 51.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.94 0.4 . . . . 0.0 110.198 177.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.414 ' O ' HG22 ' A' ' 35' ' ' THR . 27.2 tptp -60.74 -48.67 80.74 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.905 -179.482 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -74.2 -11.58 60.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.832 0.349 . . . . 0.0 111.198 -178.536 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -76.92 -27.01 54.75 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.748 0.309 . . . . 0.0 111.074 -173.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.414 HG22 ' O ' ' A' ' 32' ' ' LYS . 12.7 t -85.82 1.13 50.95 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.043 0.449 . . . . 0.0 111.034 -177.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 -128.58 -30.55 2.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.498 -178.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -99.76 -8.09 24.68 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.112 0.482 . . . . 0.0 110.48 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.4 m-20 61.85 27.51 16.77 Favored 'General case' 0 CA--C 1.52 -0.175 0 CA-C-O 121.893 0.854 . . . . 0.0 110.496 -176.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 40.1 t -83.56 148.63 27.07 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.312 -1.313 . . . . 0.0 109.165 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.1 m -114.49 -7.75 12.82 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.054 0.454 . . . . 0.0 110.687 175.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 79.96 44.81 8.78 Favored Glycine 0 N--CA 1.45 -0.382 0 CA-C-N 115.886 -0.597 . . . . 0.0 113.119 175.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -159.35 118.09 2.88 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.7 -66.12 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.593 178.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 11.1 p-80 -151.91 2.15 0.37 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.061 0.458 . . . . 0.0 110.519 169.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 . . . . . 0 C--O 1.249 1.048 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.139 177.119 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.801 -0.519 . . . . 0.0 111.801 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -71.04 145.34 49.52 Favored 'Trans proline' 0 C--N 1.342 0.227 0 C-N-CA 122.702 2.268 . . . . 0.0 112.168 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 14.6 p80 -84.31 -15.56 46.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.5 -179.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -80.91 59.69 3.85 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 122.108 0.956 . . . . 0.0 110.164 176.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.487 ' O ' ' HB ' ' A' ' 3' ' ' VAL . . . -151.15 171.06 17.98 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 114.364 -1.289 . . . . 0.0 108.539 -179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.709 HG12 ' HD1' ' A' ' 13' ' ' PHE . 1.5 p 168.13 -173.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.312 -1.029 0 N-CA-C 106.664 -1.606 . . . . 0.0 106.664 -168.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.528 ' N ' HG13 ' A' ' 3' ' ' VAL . 42.0 mt -118.74 129.61 55.35 Favored 'General case' 0 N--CA 1.437 -1.102 0 C-N-CA 119.587 -0.845 . . . . 0.0 109.406 161.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.591 ' HB3' ' H ' ' A' ' 9' ' ' GLY . 50.3 t -35.67 122.26 0.65 Allowed 'General case' 0 CA--C 1.531 0.234 0 CA-C-N 114.352 -1.294 . . . . 0.0 112.035 -179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.85 -15.45 55.12 Favored Glycine 0 CA--C 1.518 0.24 0 C-N-CA 121.293 -0.479 . . . . 0.0 113.275 -176.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.8 t -92.58 -62.04 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 122.797 -0.237 . . . . 0.0 111.473 178.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.7 p -103.83 -34.04 8.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.046 -174.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.591 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 51.17 70.14 0.94 Allowed Glycine 0 N--CA 1.46 0.275 0 CA-C-N 116.052 -0.522 . . . . 0.0 114.165 176.449 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.446 HD12 ' HG2' ' A' ' 11' ' ' LYS . 1.9 pp -142.36 14.7 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.5 ' HG3' ' H ' ' A' ' 12' ' ' GLU . 19.6 ptmt -162.51 -68.89 0.05 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.505 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 31.0 tt0 178.13 168.16 0.77 Allowed 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 108.219 -1.03 . . . . 0.0 108.219 -176.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.709 ' HD1' HG12 ' A' ' 3' ' ' VAL . 6.0 p90 -95.89 152.65 18.31 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 121.074 0.464 . . . . 0.0 110.587 174.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -132.28 -18.94 2.52 Favored 'General case' 0 C--N 1.316 -0.85 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.463 174.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.467 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 27.0 m-85 -124.89 172.57 9.26 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.643 -178.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -154.84 107.3 2.75 Favored 'General case' 0 C--N 1.318 -0.789 0 N-CA-C 108.694 -0.854 . . . . 0.0 108.694 174.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.9 t -49.7 130.02 20.24 Favored Pre-proline 0 C--N 1.331 -0.234 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.347 179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.523 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 56.2 Cg_endo -70.52 -12.23 31.12 Favored 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 122.82 2.346 . . . . 0.0 112.047 178.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.468 ' HD3' ' SG ' ' A' ' 39' ' ' CYS . 67.0 mtp180 -102.92 -49.84 3.68 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.008 179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.407 ' HB2' HG12 ' A' ' 22' ' ' VAL . 58.2 m -91.53 -20.69 21.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.624 -174.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.2 mt 63.22 17.13 9.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.983 -175.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.407 HG12 ' HB2' ' A' ' 20' ' ' CYS . 12.8 p -80.56 120.89 33.01 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-O 121.671 0.748 . . . . 0.0 110.131 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.509 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 44.0 mt-30 -68.48 109.08 3.54 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-N 114.797 -1.092 . . . . 0.0 109.878 177.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.1 p -108.51 151.34 26.21 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.524 -0.762 . . . . 0.0 110.406 -176.244 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 29.0 p -79.76 -31.98 40.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.005 -177.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.467 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 75.1 m -157.47 168.64 26.73 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.57 -177.273 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.3 mt -57.11 -32.83 66.71 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 123.398 0.436 . . . . 0.0 111.474 -177.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -53.3 -45.39 68.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.92 0.391 . . . . 0.0 110.552 177.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.44 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 32.8 m -78.88 -28.18 44.1 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.789 178.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.551 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 13.9 m -67.41 -22.82 65.52 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.982 0.42 . . . . 0.0 110.378 178.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -111.62 8.88 21.03 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 121.051 0.453 . . . . 0.0 110.662 177.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.44 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 27.1 tptp -80.91 -41.31 23.22 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.263 0.554 . . . . 0.0 110.164 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.7 p-80 -73.75 -14.95 61.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.567 -0.742 . . . . 0.0 111.344 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.551 ' HE3' ' O ' ' A' ' 30' ' ' SER . 98.6 mttt -67.88 -20.99 65.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.881 0.372 . . . . 0.0 111.23 -171.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.403 HG22 ' O ' ' A' ' 32' ' ' LYS . 11.7 t -81.13 -21.0 40.17 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.878 -0.601 . . . . 0.0 111.348 -177.604 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.452 ' HG3' ' OD1' ' A' ' 37' ' ' ASP . 21.7 ptt180 -118.6 -18.19 9.11 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.745 0.307 . . . . 0.0 111.726 -175.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.452 ' OD1' ' HG3' ' A' ' 36' ' ' ARG . 1.2 m-20 -105.38 -3.25 22.87 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.062 0.458 . . . . 0.0 110.061 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 56.26 47.56 19.0 Favored 'General case' 0 C--N 1.341 0.201 0 CA-C-N 114.972 -1.013 . . . . 0.0 110.062 -177.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.468 ' SG ' ' HD3' ' A' ' 19' ' ' ARG . 45.6 t -103.77 170.31 8.0 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 114.865 -1.062 . . . . 0.0 110.512 -173.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.4 p -151.04 -76.74 0.14 Allowed 'General case' 0 N--CA 1.443 -0.776 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.256 -175.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.78 63.83 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.399 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.4 tt0 -123.77 -27.0 4.03 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 120.77 0.319 . . . . 0.0 110.467 -172.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.523 ' OG1' ' HB2' ' A' ' 18' ' ' PRO . 5.9 m 62.77 75.12 0.41 Allowed 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.476 0.655 . . . . 0.0 110.376 -179.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -148.3 32.22 0.82 Allowed 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.449 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--O 1.251 1.152 0 CA-C-N 115.175 -0.92 . . . . 0.0 110.048 -172.874 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 112.138 -0.385 . . . . 0.0 112.138 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . 0.524 ' HG2' ' O ' ' A' ' 2' ' ' ALA . 57.9 Cg_endo -74.71 163.95 34.7 Favored 'Trans proline' 0 C--N 1.344 0.295 0 C-N-CA 122.647 2.231 . . . . 0.0 112.298 178.135 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -108.8 -0.75 19.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.35 . . . . 0.0 111.724 -178.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 ptp -73.34 -33.17 64.97 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 170.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.524 ' O ' ' HG2' ' A' ' -1' ' ' PRO . . . -168.52 143.02 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 114.66 -1.155 . . . . 0.0 108.378 177.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.483 ' O ' ' HD1' ' A' ' 13' ' ' PHE . 60.7 t -88.2 134.2 28.71 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.898 0 CA-C-O 121.068 0.461 . . . . 0.0 110.702 -177.157 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.424 HD23 ' H ' ' A' ' 12' ' ' GLU . 49.1 mt -78.8 148.81 32.78 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.022 176.468 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.542 ' HB3' ' H ' ' A' ' 9' ' ' GLY . 46.8 t -43.27 123.88 3.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.179 177.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.8 -22.11 56.62 Favored Glycine 0 CA--C 1.519 0.294 0 C-N-CA 121.091 -0.576 . . . . 0.0 113.504 -177.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.408 HG21 ' O ' ' A' ' 29' ' ' CYS . 89.4 t -92.09 -65.09 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 122.559 -0.377 . . . . 0.0 111.809 -179.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.5 p -97.48 -26.36 14.86 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.788 -0.187 . . . . 0.0 111.054 -174.336 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.542 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 46.6 59.45 5.38 Favored Glycine 0 N--CA 1.459 0.218 0 N-CA-C 114.607 0.603 . . . . 0.0 114.607 176.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.49 HD12 ' HG2' ' A' ' 11' ' ' LYS . 2.0 pp -140.67 -11.54 0.42 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 112.921 0.711 . . . . 0.0 112.921 178.567 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.49 ' HG2' HD12 ' A' ' 10' ' ' ILE . 5.9 ptpp? -142.05 41.0 1.66 Allowed 'General case' 0 N--CA 1.466 0.363 0 O-C-N 122.049 -0.407 . . . . 0.0 111.618 -178.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.545 ' HG2' ' H ' ' A' ' 13' ' ' PHE . 37.6 tt0 63.75 178.71 0.16 Allowed 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.561 ' CD2' ' HB3' ' A' ' 23' ' ' GLN . 21.2 p90 -107.64 162.1 14.27 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.85 0.357 . . . . 0.0 110.384 174.375 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 62.2 tttm -139.39 -30.15 0.73 Allowed 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.281 178.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.617 ' CE1' ' HA ' ' A' ' 26' ' ' SER . 6.4 m-85 -108.69 -175.75 2.86 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.67 -0.696 . . . . 0.0 110.38 -178.714 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.8 tttm -165.64 100.26 0.69 Allowed 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.895 -0.78 . . . . 0.0 108.895 178.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.407 ' HA ' ' HD2' ' A' ' 18' ' ' PRO . 43.0 t -52.99 126.44 43.13 Favored Pre-proline 0 N--CA 1.463 0.196 0 CA-C-O 120.724 0.297 . . . . 0.0 111.284 -177.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 17' ' ' CYS . 10.0 Cg_endo -54.78 -27.03 50.45 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 123.406 2.737 . . . . 0.0 112.953 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 14.2 mtp180 -100.82 -53.85 2.96 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.804 0.335 . . . . 0.0 111.68 -178.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.462 ' HB2' HG12 ' A' ' 22' ' ' VAL . 63.7 m -76.28 -24.94 54.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.608 -173.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mt 65.42 4.94 2.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.986 -174.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.462 HG12 ' HB2' ' A' ' 20' ' ' CYS . 12.0 p -69.85 128.92 33.92 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.829 0 N-CA-C 109.07 -0.715 . . . . 0.0 109.07 177.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.561 ' HB3' ' CD2' ' A' ' 13' ' ' PHE . 22.8 mt-30 -89.54 98.61 11.87 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-N 114.856 -1.065 . . . . 0.0 110.389 -175.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.528 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 20.2 p -89.39 162.8 15.59 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.837 -177.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 30.8 p -89.11 -26.17 21.48 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.845 0.355 . . . . 0.0 110.456 -179.438 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.617 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 66.7 m -161.07 173.75 14.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.265 -177.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.1 mt -61.95 -30.83 71.18 Favored 'General case' 0 C--N 1.328 -0.348 0 O-C-N 123.237 0.335 . . . . 0.0 111.18 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.456 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 1.4 tm-20 -54.09 -41.19 67.98 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-O 121.178 0.513 . . . . 0.0 110.192 177.208 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.593 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 33.4 m -84.68 -23.3 29.47 Favored 'General case' 0 N--CA 1.447 -0.604 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.338 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.401 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 40.6 m -69.84 -34.44 73.64 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.881 0.372 . . . . 0.0 110.401 177.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.456 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 63.1 pttt -90.85 -2.55 57.75 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.222 0.534 . . . . 0.0 110.302 178.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.593 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 4.0 tptm -74.17 -41.75 60.97 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.452 -178.775 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -77.6 -15.2 59.37 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.786 -177.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.401 ' HE3' ' O ' ' A' ' 30' ' ' SER . 97.3 mttt -72.17 -19.64 61.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.029 0.442 . . . . 0.0 110.74 -173.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.427 HG22 ' O ' ' A' ' 32' ' ' LYS . 13.6 t -100.15 2.31 42.92 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.124 -177.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 5.4 ptp180 -134.2 -27.57 1.39 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -109.49 -3.07 17.24 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.549 0.214 . . . . 0.0 110.925 179.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 61.81 95.13 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.755 -177.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 53.7 t -161.11 152.36 18.87 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.056 -174.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 16.5 m -122.04 -19.64 6.56 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 121.442 0.639 . . . . 0.0 109.739 172.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.98 44.37 8.25 Favored Glycine 0 N--CA 1.449 -0.465 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.677 176.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 44.8 mt-30 -134.68 90.66 2.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.815 0.34 . . . . 0.0 110.591 -176.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 6.5 p -78.89 143.13 36.19 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.514 177.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -113.06 40.14 2.39 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.402 0.62 . . . . 0.0 109.814 -178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 18.5 t70 . . . . . 0 C--O 1.247 0.963 0 CA-C-N 115.629 -0.714 . . . . 0.0 109.946 -178.664 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.597 0 N-CA-C 111.743 -0.543 . . . . 0.0 111.743 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.4 143.99 71.95 Favored 'Trans proline' 0 N--CA 1.463 -0.314 0 C-N-CA 122.611 2.207 . . . . 0.0 111.867 178.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 6.7 p80 -84.83 68.09 10.35 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.756 0.788 . . . . 0.0 109.816 178.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.9 mtp -63.21 120.01 10.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.239 -0.891 . . . . 0.0 110.809 -176.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.18 154.73 50.36 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.958 178.331 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.68 131.37 66.81 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 71.6 mt -75.25 145.38 41.97 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.372 176.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.508 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 41.9 t -46.68 123.71 5.32 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 114.873 -1.058 . . . . 0.0 111.225 176.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -62.81 -22.23 64.11 Favored Glycine 0 CA--C 1.518 0.278 0 C-N-CA 121.219 -0.515 . . . . 0.0 113.429 -176.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 79.1 t -88.74 -66.6 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 122.719 -0.283 . . . . 0.0 111.587 -178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.544 ' SG ' HG13 ' A' ' 10' ' ' ILE . 19.8 p -91.29 -33.82 15.18 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.493 -174.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 55.96 54.12 37.51 Favored Glycine 0 C--O 1.235 0.191 0 C-N-CA 121.411 -0.423 . . . . 0.0 113.79 177.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.544 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.3 pp -127.74 -1.49 3.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.825 0.345 . . . . 0.0 111.514 176.627 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -165.18 172.77 12.1 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.339 -179.465 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -61.39 147.75 43.88 Favored 'General case' 0 C--O 1.237 0.407 0 O-C-N 123.607 0.567 . . . . 0.0 110.712 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.5 p90 -78.04 159.23 28.86 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.505 179.217 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -137.07 -14.66 1.55 Allowed 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 121.282 0.563 . . . . 0.0 110.582 177.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.516 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 38.5 m-85 -124.67 175.76 7.0 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.571 -177.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 63.2 tttt -159.84 99.95 1.41 Allowed 'General case' 0 C--N 1.32 -0.683 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 t -52.82 129.05 46.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 120.785 0.326 . . . . 0.0 111.652 -178.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -63.23 -23.93 72.45 Favored 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 123.109 2.539 . . . . 0.0 112.552 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 10.2 mtp180 -95.44 -56.23 2.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.281 0.562 . . . . 0.0 111.195 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.436 ' HB2' HG12 ' A' ' 22' ' ' VAL . 57.4 m -81.63 -22.91 37.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.605 -171.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 6.4 mt 62.3 15.93 8.05 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.209 -0.905 . . . . 0.0 110.836 -173.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.436 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.3 p -77.23 127.28 38.18 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.95 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 177.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.508 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 22.5 mt-30 -87.14 96.34 10.28 Favored 'General case' 0 C--N 1.306 -1.295 0 CA-C-N 114.889 -1.05 . . . . 0.0 109.887 -177.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.516 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 15.0 p -88.93 159.38 17.68 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.153 -0.931 . . . . 0.0 110.873 -177.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.502 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 24.6 p -87.61 -25.34 23.61 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.315 -178.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.456 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 68.0 m -159.71 168.09 26.78 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.315 -177.077 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.6 mt -57.47 -35.83 70.67 Favored 'General case' 0 C--N 1.328 -0.346 0 O-C-N 123.422 0.452 . . . . 0.0 111.222 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -56.68 -30.72 63.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.508 179.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.461 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 33.4 m -89.1 -26.22 21.47 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 120.786 0.327 . . . . 0.0 110.873 177.54 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 17.5 m -69.03 -33.96 74.47 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.063 0.458 . . . . 0.0 110.328 176.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.3 ptmm? -85.29 -13.94 48.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.634 177.747 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.461 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 17.4 tptp -66.94 -37.74 84.86 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.497 -176.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -83.25 -13.02 56.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.181 -177.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -72.74 -25.48 61.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.934 0.397 . . . . 0.0 110.978 -173.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 13.0 t -82.4 -0.42 45.95 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.183 -177.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.9 ptp180 -130.11 -15.61 3.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.685 -179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -110.8 -8.25 14.55 Favored 'General case' 0 C--N 1.325 -0.481 0 C-N-CA 121.046 -0.262 . . . . 0.0 111.368 -177.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 62.58 27.31 16.15 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 122.604 1.192 . . . . 0.0 108.857 -173.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 44.2 t -85.56 147.23 26.52 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.076 -176.642 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 24.9 m -118.37 -13.67 9.79 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.128 0.49 . . . . 0.0 110.508 175.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 67.16 43.84 88.66 Favored Glycine 0 C--N 1.333 0.378 0 CA-C-N 115.508 -0.769 . . . . 0.0 112.063 -178.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 21.8 mt-30 -143.82 89.87 2.09 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -176.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 8.5 p -83.09 25.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.48 0.657 . . . . 0.0 111.167 -178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 36.4 p-80 -140.46 32.37 1.88 Allowed 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.229 -0.896 . . . . 0.0 108.984 176.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 35.0 t70 . . . . . 0 C--O 1.247 0.972 0 CA-C-N 114.596 -1.183 . . . . 0.0 110.998 -178.767 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.78 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_endo -64.92 138.35 57.09 Favored 'Trans proline' 0 C--O 1.234 0.281 0 C-N-CA 122.687 2.258 . . . . 0.0 112.371 -178.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 44.6 t-80 -87.56 53.71 2.88 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.47 0.653 . . . . 0.0 109.732 178.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.4 ptp -172.69 155.05 3.17 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.533 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -122.83 154.64 37.98 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.426 0.631 . . . . 0.0 111.524 -178.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.544 ' O ' ' HD1' ' A' ' 13' ' ' PHE . 50.4 t -129.05 141.59 46.22 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.853 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 173.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.693 HD22 ' HA ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -96.12 169.52 9.9 Favored 'General case' 0 C--N 1.312 -1.054 0 C-N-CA 119.749 -0.78 . . . . 0.0 110.625 -175.196 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.495 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 34.5 t -48.94 128.75 16.43 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-N 114.794 -1.093 . . . . 0.0 111.405 -179.385 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -67.42 -16.95 68.0 Favored Glycine 0 N--CA 1.448 -0.564 0 C-N-CA 120.571 -0.823 . . . . 0.0 112.15 177.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 76.0 t -93.08 -59.3 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 N-CA-C 111.763 0.282 . . . . 0.0 111.763 179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.653 ' SG ' HG13 ' A' ' 10' ' ' ILE . 20.4 p -107.24 -10.67 15.77 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 120.406 -0.517 . . . . 0.0 112.279 -174.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.455 ' O ' HD12 ' A' ' 4' ' ' LEU . . . 56.74 35.75 69.06 Favored Glycine 0 N--CA 1.464 0.521 0 CA-C-N 115.806 -0.633 . . . . 0.0 114.647 176.467 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.653 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.8 pp -138.25 162.13 30.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 117.141 0.471 . . . . 0.0 110.55 175.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.554 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 18.5 ptmt 59.44 20.29 8.66 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 124.956 1.303 . . . . 0.0 112.793 173.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.693 ' HA ' HD22 ' A' ' 4' ' ' LEU . 38.1 mt-10 65.12 152.53 0.05 Allowed 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 122.093 0.949 . . . . 0.0 112.564 178.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.544 ' HD1' ' O ' ' A' ' 3' ' ' VAL . 8.4 p90 -77.77 154.41 31.98 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.428 175.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.419 ' NZ ' ' HB2' ' A' ' 14' ' ' LYS . 3.8 ttmp? -137.21 -27.6 0.96 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.339 0.59 . . . . 0.0 110.122 177.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.472 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 11.9 m-85 -114.05 -176.05 2.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.396 -177.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 35.5 ttpt -166.53 104.68 0.61 Allowed 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.449 -0.796 . . . . 0.0 109.318 176.43 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 t -50.41 126.54 22.26 Favored Pre-proline 0 N--CA 1.462 0.17 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.667 178.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 29.5 Cg_endo -64.0 -13.54 38.07 Favored 'Trans proline' 0 CA--C 1.528 0.213 0 C-N-CA 122.759 2.306 . . . . 0.0 112.62 -179.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 79.4 mtt180 -106.37 -55.62 2.3 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.204 177.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.475 ' HB2' HG12 ' A' ' 22' ' ' VAL . 80.8 m -73.48 -25.07 60.3 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.865 0.364 . . . . 0.0 111.397 -176.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 7.0 mt 64.74 13.9 8.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.249 -0.887 . . . . 0.0 110.482 -173.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.475 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.6 p -74.74 121.68 26.65 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.727 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.019 179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.525 ' HB3' ' CG ' ' A' ' 13' ' ' PHE . 23.5 mt-30 -77.58 96.12 4.71 Favored 'General case' 0 C--N 1.313 -1.018 0 CA-C-N 115.077 -0.965 . . . . 0.0 110.172 178.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.472 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 1.6 p -90.0 155.54 19.02 Favored 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.323 -0.853 . . . . 0.0 111.025 -177.055 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 30.2 p -82.18 -28.23 32.18 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.144 0.497 . . . . 0.0 110.508 -178.162 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.9 p -148.67 174.82 11.76 Favored 'General case' 0 N--CA 1.445 -0.685 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.434 -176.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.445 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -69.39 -24.64 63.89 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.585 -0.894 . . . . 0.0 108.585 174.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 -62.75 -50.83 69.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.534 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 14.2 m -69.23 -24.09 63.96 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.755 0.312 . . . . 0.0 110.688 177.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.49 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 37.5 m -70.71 -24.24 62.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.802 179.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -105.07 -7.44 19.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.966 0.412 . . . . 0.0 110.801 178.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -67.91 -42.43 81.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.513 178.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -72.42 -17.88 61.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 -179.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.49 ' HE3' ' O ' ' A' ' 30' ' ' SER . 96.7 mttt -72.2 -33.46 67.64 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.99 0.424 . . . . 0.0 110.604 -176.096 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 7.0 t -89.91 2.55 54.92 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.42 -172.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -130.14 -35.6 1.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.521 -178.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -104.61 -6.24 20.68 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.897 0.379 . . . . 0.0 110.68 -175.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 47.7 t30 63.04 88.46 0.1 Allowed 'General case' 0 N--CA 1.462 0.142 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.78 -177.337 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.6 t -137.83 137.7 38.41 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.144 -179.165 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 14.5 m -85.78 -14.89 43.8 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.275 0.56 . . . . 0.0 110.265 177.146 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.472 ' HA3' ' HE2' ' A' ' 34' ' ' LYS . . . 55.57 37.54 67.83 Favored Glycine 0 C--N 1.336 0.582 0 CA-C-N 114.825 -1.08 . . . . 0.0 114.167 174.227 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -154.51 148.77 26.0 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.5 p -125.17 -43.69 1.93 Allowed 'General case' 0 C--N 1.312 -1.042 0 CA-C-O 121.865 0.841 . . . . 0.0 109.945 176.005 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 10.5 p80 -151.14 38.35 0.65 Allowed 'General case' 0 C--N 1.318 -0.776 0 N-CA-C 106.649 -1.612 . . . . 0.0 106.649 173.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 . . . . . 0 C--O 1.246 0.913 0 CA-C-N 113.651 -1.613 . . . . 0.0 110.409 -167.108 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.752 0 N-CA-C 111.865 -0.494 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_exo -69.08 124.56 11.49 Favored 'Trans proline' 0 N--CA 1.462 -0.326 0 C-N-CA 122.765 2.31 . . . . 0.0 111.58 178.338 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 35.9 m80 -84.34 -11.25 56.67 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.894 0.378 . . . . 0.0 110.624 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 19.6 ptm -63.47 126.99 29.31 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.356 177.021 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.507 ' O ' ' HB ' ' A' ' 3' ' ' VAL . . . -166.01 173.32 10.52 Favored 'General case' 0 CA--C 1.513 -0.467 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.253 -175.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.698 HG12 ' HD1' ' A' ' 13' ' ' PHE . 1.1 p 164.81 -176.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 106.112 -1.81 . . . . 0.0 106.112 -170.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.543 ' N ' HG13 ' A' ' 3' ' ' VAL . 57.2 mt -116.52 132.62 56.63 Favored 'General case' 0 C--N 1.314 -0.956 0 C-N-CA 119.4 -0.92 . . . . 0.0 110.676 165.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.512 ' HA ' ' O ' ' A' ' 23' ' ' GLN . 53.4 t -44.87 124.62 4.51 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 114.231 -1.349 . . . . 0.0 111.837 -178.389 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.59 -27.42 66.1 Favored Glycine 0 N--CA 1.452 -0.234 0 CA-C-N 115.797 -0.638 . . . . 0.0 113.345 -177.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 84.4 t -84.92 -65.43 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 N-CA-C 111.792 0.294 . . . . 0.0 111.792 -177.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 21.4 p -95.81 -31.85 12.97 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 121.0 -0.28 . . . . 0.0 111.223 -174.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 52.43 70.93 0.76 Allowed Glycine 0 N--CA 1.46 0.243 0 CA-C-N 116.32 -0.4 . . . . 0.0 113.979 177.413 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.54 HD12 ' N ' ' A' ' 11' ' ' LYS . 1.7 pp -138.25 -27.56 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 N-CA-C 113.108 0.781 . . . . 0.0 113.108 178.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.54 ' N ' HD12 ' A' ' 10' ' ' ILE . 22.2 ptmt -125.4 -64.83 1.05 Allowed 'General case' 0 N--CA 1.466 0.338 0 N-CA-C 112.821 0.674 . . . . 0.0 112.821 -175.656 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.565 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 38.1 tt0 176.7 167.65 0.5 Allowed 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 -170.022 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.698 ' HD1' HG12 ' A' ' 3' ' ' VAL . 7.0 p90 -94.92 157.99 15.67 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.044 0.45 . . . . 0.0 110.95 174.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -140.32 -19.57 0.87 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.489 176.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.505 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 19.9 m-85 -126.85 -178.96 4.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.843 179.536 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 36.7 ttpt -166.42 97.63 0.59 Allowed 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 108.981 -0.748 . . . . 0.0 108.981 178.003 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.7 t -45.21 125.18 5.63 Favored Pre-proline 0 N--CA 1.463 0.206 0 O-C-N 123.766 0.666 . . . . 0.0 111.835 -176.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.403 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 21.0 Cg_endo -63.57 -13.54 37.13 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.959 2.439 . . . . 0.0 112.625 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.408 ' HD2' ' SG ' ' A' ' 39' ' ' CYS . 68.9 mtt180 -98.45 -59.37 1.76 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.247 0.546 . . . . 0.0 110.698 175.059 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.434 ' HB2' HG12 ' A' ' 22' ' ' VAL . 58.8 m -82.02 -20.7 37.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.508 -0.769 . . . . 0.0 111.914 -170.056 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 11.0 mt 63.07 16.73 9.57 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.762 -176.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.452 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 10.0 p -78.05 125.43 37.64 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.667 0 CA-C-O 121.432 0.634 . . . . 0.0 109.675 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.531 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 48.3 mt-30 -79.51 94.96 5.7 Favored 'General case' 0 C--N 1.312 -1.055 0 CA-C-N 114.846 -1.07 . . . . 0.0 110.011 -178.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.505 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 12.3 p -90.5 156.13 18.4 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.852 -179.029 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 28.8 p -86.54 -24.54 25.45 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.713 -177.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.43 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 55.2 m -159.28 169.9 23.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.474 -177.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.2 mt -58.53 -32.79 69.18 Favored 'General case' 0 C--N 1.328 -0.344 0 O-C-N 123.339 0.399 . . . . 0.0 110.464 177.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -48.31 -49.86 32.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.774 174.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.532 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 24.6 m -79.49 -25.03 41.92 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.277 -178.462 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.413 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 61.0 m -67.52 -38.75 84.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.053 0.454 . . . . 0.0 110.414 178.247 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.465 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 63.8 pttt -87.01 -7.56 58.03 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.668 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.532 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 14.3 tptt -66.16 -45.76 79.79 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.653 -177.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -74.88 -15.07 60.72 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.04 0.448 . . . . 0.0 110.668 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HD2' ' HA ' ' A' ' 31' ' ' LYS . 91.0 mttt -76.87 -27.04 54.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.934 0.397 . . . . 0.0 110.594 -178.355 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.458 HG22 ' O ' ' A' ' 32' ' ' LYS . 6.0 t -94.29 -1.62 53.62 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.257 -175.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 32' ' ' LYS . 11.9 ptp180 -128.62 -30.11 2.34 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.834 -177.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -115.77 -3.42 12.24 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 122.241 -0.287 . . . . 0.0 111.209 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 59.5 t30 61.93 104.48 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.434 0 O-C-N 123.998 0.811 . . . . 0.0 111.399 -177.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.408 ' SG ' ' HD2' ' A' ' 19' ' ' ARG . 44.8 t -149.88 133.83 17.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.321 -178.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 5.8 m -84.96 -19.34 32.28 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.162 0.506 . . . . 0.0 111.048 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 57.52 33.74 67.42 Favored Glycine 0 C--N 1.337 0.631 0 CA-C-N 115.279 -0.873 . . . . 0.0 113.874 175.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -129.49 26.16 5.38 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.324 0.583 . . . . 0.0 109.966 -176.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.403 ' OG1' ' HB2' ' A' ' 18' ' ' PRO . 1.0 OUTLIER 69.75 -54.28 0.6 Allowed 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.179 -0.919 . . . . 0.0 111.772 -178.582 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 8.7 t60 -53.51 127.92 26.99 Favored 'General case' 0 C--N 1.329 -0.294 0 O-C-N 123.363 0.414 . . . . 0.0 110.204 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 28.6 t70 . . . . . 0 C--O 1.248 1.001 0 CA-C-O 118.37 -0.824 . . . . 0.0 110.277 -177.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.707 0 N-CA-C 111.777 -0.529 . . . . 0.0 111.777 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 29.0 Cg_endo -64.03 114.79 2.78 Favored 'Trans proline' 0 N--CA 1.464 -0.256 0 C-N-CA 122.57 2.18 . . . . 0.0 111.555 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 55.7 m80 -70.72 -29.61 65.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.458 -178.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.6 mmm 55.96 -101.99 0.14 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.413 -0.812 . . . . 0.0 111.403 177.011 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.479 ' O ' ' HB ' ' A' ' 3' ' ' VAL . . . 66.61 171.0 0.24 Allowed 'General case' 0 CA--C 1.513 -0.466 0 CA-C-O 121.657 0.741 . . . . 0.0 111.274 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.74 HG12 ' HD1' ' A' ' 13' ' ' PHE . 1.0 OUTLIER 167.67 179.7 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.02 0 N-CA-C 106.622 -1.621 . . . . 0.0 106.622 -170.374 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.46 ' N ' HG13 ' A' ' 3' ' ' VAL . 51.3 mt -119.93 129.07 54.16 Favored 'General case' 0 C--N 1.31 -1.115 0 C-N-CA 119.734 -0.786 . . . . 0.0 109.752 163.348 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.509 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 53.6 t -35.64 118.7 0.5 Allowed 'General case' 0 C--O 1.223 -0.324 0 CA-C-N 114.26 -1.336 . . . . 0.0 112.319 -177.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.8 -21.56 51.68 Favored Glycine 0 CA--C 1.518 0.249 0 CA-C-N 115.938 -0.574 . . . . 0.0 113.42 -176.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 93.9 t -88.94 -63.02 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -177.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.51 ' SG ' HG13 ' A' ' 10' ' ' ILE . 27.0 p -96.67 -22.01 17.26 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 121.463 0.649 . . . . 0.0 111.643 -173.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 59.46 39.11 94.47 Favored Glycine 0 C--N 1.332 0.31 0 CA-C-N 114.915 -1.038 . . . . 0.0 115.062 173.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.519 HD12 ' HG2' ' A' ' 11' ' ' LYS . 2.5 pp -123.53 -14.64 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-N 118.095 0.947 . . . . 0.0 112.974 -178.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.519 ' HG2' HD12 ' A' ' 10' ' ' ILE . 21.2 ptmt -147.99 175.4 11.02 Favored 'General case' 0 C--O 1.236 0.348 0 C-N-CA 120.789 -0.365 . . . . 0.0 111.316 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -64.23 155.87 30.54 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.677 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.74 ' HD1' HG12 ' A' ' 3' ' ' VAL . 17.8 p90 -79.69 156.89 27.36 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.092 178.05 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -137.98 -13.33 1.43 Allowed 'General case' 0 C--N 1.318 -0.761 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.166 175.279 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.529 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 36.8 m-85 -131.86 179.34 6.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.985 179.723 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 38.5 ttpt -167.11 100.05 0.53 Allowed 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 179.209 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.3 t -51.41 124.41 24.2 Favored Pre-proline 0 C--N 1.33 -0.24 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.125 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.45 ' HB2' HG23 ' A' ' 43' ' ' THR . 37.7 Cg_endo -65.68 -13.72 41.21 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 122.905 2.403 . . . . 0.0 112.21 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.423 ' HG3' ' O ' ' A' ' 42' ' ' GLN . 2.6 mtp180 -95.85 -57.19 2.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.278 0.561 . . . . 0.0 111.074 177.137 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.409 ' HB2' HG12 ' A' ' 22' ' ' VAL . 57.3 m -86.27 -13.14 47.61 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.448 -171.247 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 4.9 mt 56.99 22.22 7.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.169 -0.923 . . . . 0.0 111.145 -176.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.427 ' O ' ' HA ' ' A' ' 16' ' ' LYS . 9.3 p -85.03 118.59 32.31 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-O 121.612 0.72 . . . . 0.0 110.05 -179.213 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.529 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 45.4 mt-30 -73.65 99.03 2.99 Favored 'General case' 0 C--N 1.316 -0.886 0 CA-C-N 114.98 -1.009 . . . . 0.0 109.48 177.03 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.529 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 7.4 p -94.21 152.9 18.37 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.949 -177.082 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.509 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 25.7 p -79.08 -29.27 43.29 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.697 -177.705 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.427 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 63.1 m -159.49 174.13 15.14 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.4 -0.363 . . . . 0.0 110.368 -178.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 71.7 mt -60.63 -33.35 72.65 Favored 'General case' 0 C--N 1.33 -0.241 0 O-C-N 122.977 0.173 . . . . 0.0 111.095 -179.643 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 14.0 tp10 -50.27 -45.2 54.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.115 0.483 . . . . 0.0 110.983 177.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 31.0 m -81.45 -28.49 34.17 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.103 179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.531 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 21.8 t -68.07 -22.7 64.92 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.548 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -108.76 0.42 20.44 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.937 0.399 . . . . 0.0 110.842 178.512 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.476 ' O ' HG22 ' A' ' 35' ' ' THR . 44.9 tttp -77.12 -36.52 55.44 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.097 0.475 . . . . 0.0 110.492 -177.449 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 -75.64 -18.78 59.56 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.618 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.531 ' HE3' ' O ' ' A' ' 30' ' ' SER . 98.0 mttt -68.11 -25.31 65.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.915 -174.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.476 HG22 ' O ' ' A' ' 32' ' ' LYS . 5.0 t -86.72 -2.56 58.64 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.514 -174.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 30.4 ptt180 -129.58 -29.29 2.19 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 120.915 -0.314 . . . . 0.0 111.624 -178.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -100.96 -10.42 20.6 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 121.084 -0.246 . . . . 0.0 110.761 -178.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 52.6 t-20 62.65 84.17 0.15 Allowed 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 109.104 -0.702 . . . . 0.0 109.104 -174.566 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.6 t -139.21 138.15 36.61 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.266 -174.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 49.9 m -99.97 -17.46 17.53 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.404 0.621 . . . . 0.0 110.137 174.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 78.29 56.55 3.66 Favored Glycine 0 N--CA 1.446 -0.664 0 CA-C-N 115.14 -0.936 . . . . 0.0 112.507 177.35 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.423 ' O ' ' HG3' ' A' ' 19' ' ' ARG . 17.9 pt20 -154.62 152.68 30.28 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.45 HG23 ' HB2' ' A' ' 18' ' ' PRO . 1.2 p -73.79 154.0 39.73 Favored 'General case' 0 C--N 1.319 -0.752 0 C-N-CA 120.608 -0.437 . . . . 0.0 110.918 -178.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 64.2 m80 -74.18 77.18 1.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.595 -178.696 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.249 1.074 0 CA-C-O 118.41 -0.805 . . . . 0.0 109.976 178.937 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.601 0 N-CA-C 111.874 -0.491 . . . . 0.0 111.874 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -80.34 11.46 2.86 Favored 'Trans proline' 0 N--CA 1.463 -0.283 0 C-N-CA 122.703 2.268 . . . . 0.0 112.624 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 77.1 m-70 61.26 34.49 18.62 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.103 178.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mmt -109.08 68.79 0.69 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.62 -178.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.25 147.27 40.42 Favored 'General case' 0 N--CA 1.446 -0.645 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.208 178.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.426 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 71.9 t -123.82 137.6 56.36 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.077 0 CA-C-N 115.473 -0.785 . . . . 0.0 110.183 -178.221 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 75.1 mt -77.74 152.12 33.79 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.64 177.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.547 ' HB3' ' H ' ' A' ' 9' ' ' GLY . 39.7 t -48.58 133.65 16.52 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.38 177.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.403 ' HA3' HG23 ' A' ' 22' ' ' VAL . . . -72.25 -21.74 79.16 Favored Glycine 0 N--CA 1.448 -0.511 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.779 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 88.1 t -90.62 -72.32 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 C-N-CA 121.125 -0.23 . . . . 0.0 111.405 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.464 ' SG ' HG13 ' A' ' 10' ' ' ILE . 22.5 p -83.41 -36.11 24.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.469 0.652 . . . . 0.0 110.984 -174.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.547 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 70.02 28.93 71.1 Favored Glycine 0 N--CA 1.45 -0.376 0 CA-C-N 115.029 -0.987 . . . . 0.0 114.61 172.418 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.464 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.4 pp -113.68 -10.95 12.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 117.76 0.78 . . . . 0.0 112.101 -177.494 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.441 ' N ' HD12 ' A' ' 10' ' ' ILE . 22.8 ptmt -145.68 169.15 19.04 Favored 'General case' 0 C--O 1.238 0.453 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.212 178.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -63.71 149.96 45.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 123.714 0.634 . . . . 0.0 110.737 -177.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.426 ' CD1' ' HB ' ' A' ' 3' ' ' VAL . 13.0 p90 -77.92 164.52 25.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.015 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -146.69 -19.04 0.42 Allowed 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.634 178.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.52 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 22.8 m-85 -125.58 170.99 10.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.449 -178.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 ttpp -154.83 102.64 2.37 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 174.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.5 t -49.2 130.18 16.58 Favored Pre-proline 0 C--N 1.331 -0.227 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.612 -178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -62.32 -18.13 61.03 Favored 'Trans proline' 0 C--N 1.344 0.339 0 C-N-CA 122.948 2.432 . . . . 0.0 112.586 178.512 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 76.5 mtt180 -99.92 -43.48 6.38 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.418 178.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.502 ' HB2' HG12 ' A' ' 22' ' ' VAL . 44.7 m -101.53 -13.69 17.79 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.784 0.661 . . . . 0.0 112.784 -168.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.468 ' N ' HD22 ' A' ' 21' ' ' LEU . 1.1 mm? 55.54 6.5 0.18 Allowed 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.368 0.604 . . . . 0.0 112.605 -178.411 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.502 HG12 ' HB2' ' A' ' 20' ' ' CYS . 9.0 p -65.05 118.17 6.91 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.045 0 CA-C-N 115.055 -0.975 . . . . 0.0 109.832 175.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.482 ' HA ' ' O ' ' A' ' 15' ' ' TYR . 19.4 mt-30 -75.98 91.84 3.09 Favored 'General case' 0 C--N 1.313 -1.013 0 CA-C-N 114.774 -1.103 . . . . 0.0 109.547 -179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.52 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 5.4 p -86.31 151.92 23.18 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.905 -176.648 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 28.3 p -81.66 -28.22 33.67 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.65 -176.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.438 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 58.6 m -159.67 168.07 26.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.142 -0.481 . . . . 0.0 109.785 -178.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.09 -29.54 65.54 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.963 0.411 . . . . 0.0 111.192 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -53.43 -41.22 65.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.987 175.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 18.6 m -85.57 -24.54 27.16 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.917 178.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.462 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 9.3 m -66.27 -28.19 68.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.4 178.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -97.92 -11.37 23.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.928 178.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' O ' HG22 ' A' ' 35' ' ' THR . 55.2 tptt -61.78 -41.75 98.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.133 0.492 . . . . 0.0 110.663 -176.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -78.7 -8.47 58.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.235 -179.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.462 ' HE3' ' O ' ' A' ' 30' ' ' SER . 98.3 mttt -79.95 -34.2 38.99 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.977 0.418 . . . . 0.0 110.609 -174.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.406 HG22 ' O ' ' A' ' 32' ' ' LYS . 13.3 t -74.42 -20.83 59.9 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.843 -178.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -103.28 -35.26 8.5 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.26 0.467 . . . . 0.0 112.26 -176.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -115.02 10.34 16.21 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.884 -0.326 . . . . 0.0 111.766 -174.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.1 m-20 55.56 41.61 30.51 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.901 -0.59 . . . . 0.0 112.235 175.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 51.8 t -89.81 150.15 22.37 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.995 179.022 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.6 p -99.98 -19.31 16.63 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.136 0.493 . . . . 0.0 110.876 178.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 75.6 29.76 59.15 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.839 -0.695 . . . . 0.0 111.912 -176.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -140.86 129.15 22.33 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 -178.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.78 -55.33 17.27 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 123.518 0.511 . . . . 0.0 111.776 -167.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -131.81 -58.91 0.96 Allowed 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.828 -0.804 . . . . 0.0 108.828 174.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 C--O 1.245 0.841 0 CA-C-N 115.278 -0.873 . . . . 0.0 109.354 176.503 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.638 0 N-CA-C 111.75 -0.54 . . . . 0.0 111.75 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -73.11 91.25 0.84 Allowed 'Trans proline' 0 N--CA 1.459 -0.506 0 C-N-CA 122.446 2.097 . . . . 0.0 111.935 177.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 14.1 p80 -81.28 54.83 2.38 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.718 0.77 . . . . 0.0 110.564 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ptt? -147.98 -178.36 6.24 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.119 -0.946 . . . . 0.0 108.876 -178.2 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.06 133.0 41.69 Favored 'General case' 0 N--CA 1.446 -0.63 0 CA-C-O 121.266 0.555 . . . . 0.0 109.711 175.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.456 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 99.1 t -108.55 127.6 64.85 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.119 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.792 -176.273 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 67.9 mt -74.91 149.03 39.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.179 174.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.515 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 49.3 t -47.53 129.27 13.35 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.245 -0.889 . . . . 0.0 111.796 179.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.29 -19.76 74.51 Favored Glycine 0 N--CA 1.452 -0.291 0 CA-C-N 115.955 -0.566 . . . . 0.0 112.891 -179.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 82.3 t -91.33 -69.89 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 O-C-N 122.679 -0.306 . . . . 0.0 111.575 -179.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.514 ' SG ' HG13 ' A' ' 10' ' ' ILE . 26.6 p -88.29 -31.27 19.06 Favored 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 121.401 0.62 . . . . 0.0 111.396 -173.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.402 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 65.8 34.46 88.78 Favored Glycine 0 C--N 1.332 0.334 0 CA-C-N 115.055 -0.975 . . . . 0.0 114.645 172.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.514 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.5 pp -117.75 -3.41 10.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 117.715 0.757 . . . . 0.0 112.688 -178.41 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.6 ptmm? -161.2 172.91 15.89 Favored 'General case' 0 C--O 1.237 0.419 0 C-N-CA 121.133 -0.227 . . . . 0.0 110.666 178.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -63.48 151.2 41.92 Favored 'General case' 0 C--N 1.329 -0.307 0 O-C-N 123.673 0.608 . . . . 0.0 111.112 -175.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.456 ' CD1' ' HB ' ' A' ' 3' ' ' VAL . 13.1 p90 -79.28 160.62 26.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.932 -0.577 . . . . 0.0 110.771 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -140.72 -27.17 0.73 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.939 175.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.567 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 3.2 m-85 -111.31 174.72 5.73 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.269 -178.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -160.81 102.87 1.32 Allowed 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 108.683 -0.858 . . . . 0.0 108.683 176.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 42.0 t -50.49 125.56 20.88 Favored Pre-proline 0 C--N 1.331 -0.225 0 O-C-N 123.391 0.432 . . . . 0.0 110.855 -177.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 21.4 Cg_endo -63.57 -13.5 36.89 Favored 'Trans proline' 0 C--N 1.34 0.11 0 C-N-CA 122.802 2.335 . . . . 0.0 112.229 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 51.4 mtt180 -108.09 -44.87 4.07 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.791 -179.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.426 ' HB2' HG12 ' A' ' 22' ' ' VAL . 64.5 m -90.13 -22.53 21.71 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.682 -0.407 . . . . 0.0 111.411 -176.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.8 mt 65.44 9.95 6.18 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.247 -175.402 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.426 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.6 p -73.67 121.1 23.9 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.66 0 CA-C-O 121.671 0.748 . . . . 0.0 109.748 178.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 26.6 mt-30 -77.66 103.52 7.65 Favored 'General case' 0 C--N 1.314 -0.964 0 CA-C-N 114.971 -1.013 . . . . 0.0 109.881 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.567 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 2.8 p -97.93 151.95 19.73 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.068 -0.969 . . . . 0.0 110.848 -175.423 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.515 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 32.0 p -74.39 -31.73 62.46 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.816 -177.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.552 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 73.9 m -160.93 170.98 19.52 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.9 -0.591 . . . . 0.0 109.991 -175.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 9.5 tp -60.48 -30.65 69.83 Favored 'General case' 0 C--N 1.327 -0.385 0 O-C-N 123.431 0.457 . . . . 0.0 110.736 -174.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -52.94 -45.88 67.89 Favored 'General case' 0 N--CA 1.448 -0.572 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.952 176.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 11.9 m -79.22 -27.4 42.49 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.222 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.498 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 5.1 m -66.32 -30.42 70.82 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.357 177.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 18.2 ptpt -98.52 -7.73 27.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.703 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.57 ' O ' HG22 ' A' ' 35' ' ' THR . 52.1 tttm -73.75 -42.51 61.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.087 -175.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -69.69 -9.96 56.42 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.156 0.503 . . . . 0.0 110.661 -178.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.498 ' HE3' ' O ' ' A' ' 30' ' ' SER . 94.7 mttt -76.93 -17.46 58.9 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.957 -176.236 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.57 HG22 ' O ' ' A' ' 32' ' ' LYS . 7.2 t -86.73 -14.05 43.55 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.042 0.449 . . . . 0.0 110.84 -179.414 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -108.67 -37.58 5.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.103 179.666 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -99.14 -13.42 19.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 0.0 111.296 -177.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.6 t30 66.69 15.88 10.24 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 121.703 0.764 . . . . 0.0 110.063 -177.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 36.4 t -59.0 138.76 57.39 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.879 -1.055 . . . . 0.0 111.328 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 39.9 t -80.41 -29.09 37.7 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.565 0.698 . . . . 0.0 110.234 176.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.472 ' HA3' ' HE2' ' A' ' 34' ' ' LYS . . . 69.05 33.28 74.02 Favored Glycine 0 C--N 1.332 0.322 0 CA-C-N 115.091 -0.959 . . . . 0.0 113.513 176.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -155.85 140.45 16.93 Favored 'General case' 0 N--CA 1.446 -0.672 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 -179.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 26.5 p -132.27 154.72 49.38 Favored 'General case' 0 C--N 1.315 -0.92 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 175.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 52.8 t60 -111.0 98.39 7.52 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.084 -0.71 . . . . 0.0 109.084 175.29 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.015 -0.993 . . . . 0.0 110.326 -174.796 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.67 0 N-CA-C 111.844 -0.502 . . . . 0.0 111.844 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . 0.411 ' HB2' ' HG3' ' A' ' 1' ' ' MET . 61.1 Cg_endo -73.0 167.56 27.05 Favored 'Trans proline' 0 N--CA 1.463 -0.296 0 C-N-CA 122.362 2.041 . . . . 0.0 111.896 179.446 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -117.72 46.85 1.66 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.248 0.547 . . . . 0.0 110.167 -179.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.411 ' HG3' ' HB2' ' A' ' -1' ' ' PRO . 61.8 mtm -71.19 -39.01 72.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.094 -178.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.78 168.29 10.23 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.993 178.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.478 ' HB ' ' CD1' ' A' ' 13' ' ' PHE . 84.4 t -128.13 136.76 59.33 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.857 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.076 179.652 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 41.6 mt -76.49 148.61 37.07 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.311 0.577 . . . . 0.0 110.732 177.434 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.54 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 41.9 t -52.27 127.58 22.49 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 114.685 -1.143 . . . . 0.0 111.885 179.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -65.9 -21.53 69.59 Favored Glycine 0 CA--C 1.517 0.211 0 CA-C-N 115.971 -0.558 . . . . 0.0 113.262 -179.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 71.0 t -89.14 -64.21 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 N-CA-C 111.955 0.354 . . . . 0.0 111.955 -178.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.629 ' SG ' HG13 ' A' ' 10' ' ' ILE . 26.8 p -95.47 -34.68 11.99 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.358 0.599 . . . . 0.0 111.121 -174.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.425 ' H ' ' HB3' ' A' ' 5' ' ' CYS . . . 70.5 23.77 77.33 Favored Glycine 0 C--O 1.228 -0.27 0 CA-C-N 115.194 -0.912 . . . . 0.0 114.396 174.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.629 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.4 pp -106.44 -12.52 9.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-N 117.626 0.713 . . . . 0.0 112.275 -176.435 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.723 ' HE3' ' SG ' ' A' ' 25' ' ' CYS . 14.8 pttp -151.08 170.09 20.23 Favored 'General case' 0 C--O 1.237 0.43 0 N-CA-C 110.318 -0.253 . . . . 0.0 110.318 177.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -56.38 158.17 4.47 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 123.889 0.743 . . . . 0.0 111.989 -178.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.478 ' CD1' ' HB ' ' A' ' 3' ' ' VAL . 14.0 p90 -85.45 163.26 18.58 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.037 178.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -146.6 -22.4 0.42 Allowed 'General case' 0 C--N 1.318 -0.774 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.006 178.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.548 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 10.8 m-85 -121.55 166.29 14.42 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.237 -179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -149.44 104.38 3.37 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 173.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.0 t -53.84 125.83 48.43 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.996 -179.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -60.88 -17.48 51.1 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 123.097 2.531 . . . . 0.0 112.891 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 35.8 mtp180 -101.77 -47.02 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.929 0.395 . . . . 0.0 111.505 179.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . . . . . . . . . 59.5 m -91.16 -18.04 25.11 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.009 0.433 . . . . 0.0 111.701 -172.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt 59.7 16.97 5.89 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.292 -177.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 p -79.29 121.87 33.37 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.749 0 CA-C-O 121.567 0.699 . . . . 0.0 110.005 -179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.477 ' O ' ' HA ' ' A' ' 5' ' ' CYS . 49.9 mt-30 -74.97 95.51 3.01 Favored 'General case' 0 C--N 1.313 -0.999 0 CA-C-N 114.786 -1.097 . . . . 0.0 109.657 177.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.548 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 2.5 p -93.14 148.26 22.17 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.747 -176.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.723 ' SG ' ' HE3' ' A' ' 11' ' ' LYS . 31.0 p -75.86 -29.96 58.74 Favored 'General case' 0 CA--C 1.518 -0.275 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.627 -176.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.449 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 67.4 m -159.37 169.78 23.23 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 115.714 -0.675 . . . . 0.0 109.689 -176.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -60.81 -30.69 70.23 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 -178.251 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -52.22 -41.13 62.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.042 -0.527 . . . . 0.0 111.389 176.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.434 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 11.4 m -84.26 -24.96 29.72 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.74 0.305 . . . . 0.0 110.99 178.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.468 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 12.2 m -66.81 -36.36 82.19 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.665 -0.494 . . . . 0.0 109.665 176.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.92 -6.41 57.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.863 179.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.488 ' O ' HG22 ' A' ' 35' ' ' THR . 23.1 tptm -69.5 -45.07 69.79 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.61 -178.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -75.31 -13.51 60.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.882 0.373 . . . . 0.0 111.233 -178.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.468 ' HE3' ' O ' ' A' ' 30' ' ' SER . 96.9 mttt -75.58 -25.77 57.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.707 0.289 . . . . 0.0 110.981 -173.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 32' ' ' LYS . 14.1 t -83.87 -1.63 54.83 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.337 -177.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.7 ptt180 -132.43 -2.3 3.47 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.819 -0.352 . . . . 0.0 111.643 -177.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -128.51 -8.49 5.16 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.824 0.345 . . . . 0.0 110.791 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 67.26 14.16 9.63 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 115.837 -0.619 . . . . 0.0 110.972 -177.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 42.7 t -67.28 149.06 50.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.134 178.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 12.3 m -109.87 -12.83 14.54 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.362 0.601 . . . . 0.0 110.357 175.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 70.95 42.86 59.17 Favored Glycine 0 N--CA 1.45 -0.381 0 CA-C-N 115.34 -0.846 . . . . 0.0 112.689 178.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 18.3 pt20 -159.59 136.78 9.61 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 13.1 p -118.49 7.53 11.87 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.281 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 15.8 t60 69.26 -60.49 0.46 Allowed 'General case' 0 N--CA 1.466 0.362 0 O-C-N 123.792 0.683 . . . . 0.0 109.267 -171.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.3 t70 . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.726 -0.654 . . . . 0.0 109.328 173.266 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.651 0 N-CA-C 111.851 -0.5 . . . . 0.0 111.851 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -82.48 26.07 0.65 Allowed 'Trans proline' 0 N--CA 1.461 -0.407 0 C-N-CA 123.19 2.593 . . . . 0.0 112.101 177.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 77.0 m-70 58.27 35.36 24.86 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.052 -177.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 63.7 mtt -85.62 114.34 22.54 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.663 178.713 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.4 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . 74.6 172.6 0.28 Allowed 'General case' 0 C--O 1.237 0.406 0 O-C-N 124.07 0.857 . . . . 0.0 110.677 -177.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.645 HG12 ' HD1' ' A' ' 13' ' ' PHE . 1.3 p 170.65 -173.35 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -0.996 0 N-CA-C 106.221 -1.77 . . . . 0.0 106.221 -169.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.567 ' N ' HG13 ' A' ' 3' ' ' VAL . 59.1 mt -123.27 134.13 54.12 Favored 'General case' 0 N--CA 1.439 -0.988 0 C-N-CA 119.619 -0.832 . . . . 0.0 110.159 161.746 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.481 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 42.2 t -41.8 125.62 2.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 114.076 -1.42 . . . . 0.0 112.444 -177.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -64.87 -19.07 65.07 Favored Glycine 0 CA--C 1.519 0.312 0 CA-C-N 116.039 -0.528 . . . . 0.0 113.428 -177.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 98.0 t -91.75 -63.68 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -178.247 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.527 ' SG ' HG13 ' A' ' 10' ' ' ILE . 27.8 p -94.29 -22.78 18.15 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.315 0.579 . . . . 0.0 111.449 -173.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 61.04 34.77 89.2 Favored Glycine 0 C--N 1.332 0.339 0 CA-C-N 115.029 -0.987 . . . . 0.0 114.824 173.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.527 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.6 pp -122.69 -10.38 8.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 118.302 1.051 . . . . 0.0 113.442 -177.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -154.21 175.81 13.03 Favored 'General case' 0 C--O 1.237 0.398 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.572 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -60.94 155.56 19.6 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-O 121.689 0.757 . . . . 0.0 112.403 -178.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.645 ' HD1' HG12 ' A' ' 3' ' ' VAL . 7.9 p90 -83.98 155.39 22.8 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.819 176.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 63.8 tttm -139.01 -12.07 1.25 Allowed 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.515 176.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.431 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 44.2 m-85 -132.37 172.38 12.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.318 -179.273 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.5 ttpt -155.42 102.48 2.26 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 108.872 -0.788 . . . . 0.0 108.872 177.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 40.9 t -48.71 127.24 13.7 Favored Pre-proline 0 C--O 1.225 -0.226 0 O-C-N 123.35 0.406 . . . . 0.0 111.258 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . 0.401 ' HB2' ' OG1' ' A' ' 43' ' ' THR . 29.6 Cg_endo -64.96 -16.04 53.44 Favored 'Trans proline' 0 CA--C 1.526 0.122 0 C-N-CA 122.616 2.211 . . . . 0.0 112.237 178.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.484 ' HD3' ' O ' ' A' ' 40' ' ' SER . 49.0 mtp180 -102.08 -47.6 4.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.482 -179.38 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.474 ' HB2' HG12 ' A' ' 22' ' ' VAL . 64.4 m -89.6 -20.65 23.47 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.199 0.523 . . . . 0.0 111.47 -175.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 9.7 mt 61.19 18.87 9.53 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.021 -0.99 . . . . 0.0 110.447 -172.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.474 HG12 ' HB2' ' A' ' 20' ' ' CYS . 14.8 p -80.03 123.51 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.641 0 CA-C-O 121.623 0.725 . . . . 0.0 110.241 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.48 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 45.2 mt-30 -73.92 102.28 4.05 Favored 'General case' 0 C--N 1.314 -0.965 0 CA-C-N 114.568 -1.196 . . . . 0.0 109.687 178.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.431 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 1.5 p -100.49 148.64 24.54 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.732 -176.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.481 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 28.5 p -76.16 -31.26 58.46 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.959 -175.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 70.3 m -161.09 170.57 20.18 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.011 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.4 mt -56.89 -30.46 63.93 Favored 'General case' 0 N--CA 1.464 0.272 0 O-C-N 123.365 0.415 . . . . 0.0 111.244 -179.047 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.487 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . 10.8 tp10 -51.21 -43.77 61.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.851 176.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 19.0 m -86.29 -25.51 25.44 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.154 -179.433 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.582 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 13.5 m -64.94 -33.64 76.52 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.898 0.38 . . . . 0.0 110.017 178.58 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.487 ' HE2' ' HA ' ' A' ' 28' ' ' GLU . 65.3 pttt -96.37 -10.93 26.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.183 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 23.7 tptp -62.31 -45.17 94.44 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.841 -176.719 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -77.19 -12.57 59.96 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.057 -177.523 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.582 ' HE3' ' O ' ' A' ' 30' ' ' SER . 96.1 mttt -74.77 -35.42 62.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.894 0.378 . . . . 0.0 110.525 -174.378 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 10.6 t -78.36 -11.57 59.95 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.548 -176.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 ptm180 -114.74 -22.12 9.85 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.025 0.379 . . . . 0.0 112.025 -176.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -121.95 7.82 9.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.645 0.26 . . . . 0.0 111.567 -177.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 58.62 43.43 19.04 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.241 178.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 40' ' ' SER . 40.9 t -99.02 168.99 9.74 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-O 121.318 0.58 . . . . 0.0 110.941 -177.048 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.484 ' O ' ' HD3' ' A' ' 19' ' ' ARG . 34.6 p -146.94 176.91 9.54 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.067 -0.969 . . . . 0.0 108.912 176.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -122.65 53.35 0.73 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.298 -0.953 . . . . 0.0 111.267 175.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -133.63 63.57 1.63 Allowed 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 120.993 0.425 . . . . 0.0 110.819 -174.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.401 ' OG1' ' HB2' ' A' ' 18' ' ' PRO . 22.9 p -84.7 -39.4 18.59 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.545 0.688 . . . . 0.0 109.538 175.384 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -112.42 67.75 0.66 Allowed 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.196 -0.911 . . . . 0.0 108.931 175.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.8 t70 . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.243 -0.884 . . . . 0.0 109.976 -177.984 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.665 0 N-CA-C 111.661 -0.576 . . . . 0.0 111.661 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' -1' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_endo -78.86 35.48 0.56 Allowed 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.838 2.359 . . . . 0.0 112.679 -178.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 40.0 t-80 51.5 53.55 12.59 Favored 'General case' 0 C--O 1.23 0.065 0 CA-C-O 121.497 0.665 . . . . 0.0 109.833 -176.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.5 mmm -139.19 149.49 44.46 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.191 -177.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.507 ' O ' ' HB ' ' A' ' 3' ' ' VAL . . . -156.65 172.21 18.98 Favored 'General case' 0 CA--C 1.508 -0.671 0 N-CA-C 109.265 -0.642 . . . . 0.0 109.265 -177.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.72 HG12 ' HD2' ' A' ' 13' ' ' PHE . 1.5 p 168.02 -177.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.313 -1.008 0 N-CA-C 106.901 -1.518 . . . . 0.0 106.901 -171.657 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.477 ' N ' HG13 ' A' ' 3' ' ' VAL . 41.6 mt -118.15 133.83 55.55 Favored 'General case' 0 N--CA 1.438 -1.073 0 C-N-CA 119.824 -0.751 . . . . 0.0 109.339 160.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.544 ' HB2' ' HB3' ' A' ' 25' ' ' CYS . 41.7 t -40.85 127.06 2.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 114.49 -1.232 . . . . 0.0 112.425 -176.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.43 -25.59 68.74 Favored Glycine 0 CA--C 1.519 0.299 0 CA-C-N 115.584 -0.735 . . . . 0.0 113.514 -175.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 97.1 t -86.18 -63.52 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 117.027 0.414 . . . . 0.0 111.818 -176.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.698 ' SG ' HG13 ' A' ' 10' ' ' ILE . 30.8 p -89.75 -12.74 38.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.959 0.409 . . . . 0.0 111.26 -174.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.68 18.13 80.02 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 121.142 -0.552 . . . . 0.0 114.057 174.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.698 HG13 ' SG ' ' A' ' 8' ' ' CYS . 2.8 pp -134.14 158.19 42.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-N 117.856 0.828 . . . . 0.0 110.843 -178.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.552 ' HG2' ' O ' ' A' ' 10' ' ' ILE . 0.0 OUTLIER 55.57 160.25 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.205 1.402 . . . . 0.0 113.359 179.127 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.425 ' HA ' ' O ' ' A' ' 3' ' ' VAL . 28.1 mt-10 -68.39 146.72 52.97 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.062 -0.972 . . . . 0.0 110.983 179.013 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.72 ' HD2' HG12 ' A' ' 3' ' ' VAL . 17.3 p90 -69.94 156.45 39.09 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.02 -0.991 . . . . 0.0 110.865 -176.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 23.1 ttmm -132.59 -20.19 2.33 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.602 -0.727 . . . . 0.0 109.835 179.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.482 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 32.2 m-85 -128.14 179.69 5.47 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.223 -178.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.6 ttpt -163.05 102.87 0.99 Allowed 'General case' 0 C--N 1.32 -0.674 0 N-CA-C 109.085 -0.709 . . . . 0.0 109.085 175.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 41.2 t -45.28 124.86 5.7 Favored Pre-proline 0 N--CA 1.465 0.295 0 O-C-N 123.472 0.482 . . . . 0.0 111.024 179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -60.85 -15.92 41.24 Favored 'Trans proline' 0 C--N 1.343 0.272 0 C-N-CA 122.987 2.458 . . . . 0.0 112.3 -179.315 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.2 mtp180 -105.03 -58.64 1.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.449 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' CYS . . . . . 0.467 ' HB2' HG12 ' A' ' 22' ' ' VAL . 74.8 m -72.3 -26.09 61.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.176 0.512 . . . . 0.0 111.259 -176.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 10.5 mt 65.61 14.95 9.8 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 114.929 -1.032 . . . . 0.0 110.414 -174.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.467 HG12 ' HB2' ' A' ' 20' ' ' CYS . 13.1 p -76.79 120.22 26.63 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 CA-C-O 121.611 0.72 . . . . 0.0 109.455 178.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.459 ' HB3' ' CB ' ' A' ' 13' ' ' PHE . 22.9 mt-30 -76.5 101.23 5.54 Favored 'General case' 0 C--N 1.312 -1.028 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.181 179.17 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.482 ' OG1' ' HB2' ' A' ' 15' ' ' TYR . 4.0 p -92.9 159.74 15.22 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.061 -0.972 . . . . 0.0 111.253 -177.665 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 5' ' ' CYS . 27.4 p -86.05 -27.17 24.92 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.633 -177.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.409 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 18.8 m -156.42 177.54 11.34 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.59 -178.503 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 86.2 mt -63.79 -33.58 75.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.55 0.214 . . . . 0.0 110.704 177.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 11.6 tp10 -52.55 -53.39 46.9 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.507 ' HA ' ' HB2' ' A' ' 32' ' ' LYS . 15.5 m -69.21 -25.52 64.35 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.502 179.701 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.431 ' O ' ' HE3' ' A' ' 34' ' ' LYS . 41.8 m -70.61 -35.83 73.17 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.917 0.389 . . . . 0.0 110.329 179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.455 ' HA ' ' HD2' ' A' ' 34' ' ' LYS . 22.1 pttp -94.84 -7.74 39.37 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.029 0.442 . . . . 0.0 110.757 179.66 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.507 ' HB2' ' HA ' ' A' ' 29' ' ' CYS . 17.4 mttm -63.39 -45.31 91.65 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.242 177.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . . . . . . . . . 2.0 p-80 -76.18 -17.29 59.61 Favored 'General case' 0 N--CA 1.447 -0.605 0 C-N-CA 120.401 -0.52 . . . . 0.0 110.085 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HD2' ' HA ' ' A' ' 31' ' ' LYS . 95.4 mttt -75.65 -33.85 60.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.018 0.437 . . . . 0.0 110.439 -178.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.488 HG22 ' O ' ' A' ' 32' ' ' LYS . 10.5 t -82.81 -2.45 54.62 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.615 -174.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -130.85 -32.5 1.65 Allowed 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.762 -178.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -103.15 0.78 32.28 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.266 0.555 . . . . 0.0 109.952 -179.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 61.57 34.03 18.02 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 115.47 -0.787 . . . . 0.0 111.945 176.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.447 ' SG ' ' N ' ' A' ' 40' ' ' SER . 42.5 t -85.64 170.07 12.89 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.027 176.738 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.447 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 7.8 t -153.54 152.2 30.66 Favored 'General case' 0 N--CA 1.441 -0.881 0 N-CA-C 108.357 -0.979 . . . . 0.0 108.357 173.23 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.88 62.85 4.16 Favored Glycine 0 N--CA 1.446 -0.682 0 C-N-CA 120.439 -0.886 . . . . 0.0 111.601 -178.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -129.33 96.79 4.39 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 -178.681 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.01 95.44 0.71 Allowed 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.186 179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 25.0 p-80 -98.35 42.44 1.1 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.82 -176.584 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 . . . . . 0 C--O 1.247 0.964 0 CA-C-O 118.527 -0.749 . . . . 0.0 109.891 179.59 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_