data_2jne_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 2jne _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.463 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 36.8 m170 -113.49 157.07 22.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.487 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.4 m -74.52 142.0 77.2 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.023 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -85.66 31.12 0.48 Allowed 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.937 2.424 . . . . 0.0 111.927 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -161.07 -75.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.671 -177.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.6 p -89.13 63.03 6.46 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -46.78 101.49 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.123 -1.399 . . . . 0.0 113.435 -172.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.47 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 4.1 m-70 -162.23 -172.12 3.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.588 -1.187 . . . . 0.0 107.834 173.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.0 t -72.6 137.35 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.152 0.501 . . . . 0.0 111.717 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.5 mt -94.93 117.12 29.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.011 173.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.476 ' HB2' ' HD2' ' A' ' 22' ' ' ARG . 18.0 t70 -83.83 97.49 9.22 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -102.3 130.16 48.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.408 0.623 . . . . 0.0 112.374 -170.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -128.11 -153.73 0.59 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 174.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -66.3 101.81 0.78 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.64 0.734 . . . . 0.0 111.27 -177.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 65.02 11.45 51.41 Favored Glycine 0 C--N 1.334 0.45 0 CA-C-N 115.338 -0.846 . . . . 0.0 113.696 175.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -136.93 139.64 41.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.407 -0.466 . . . . 0.0 111.025 -175.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.41 102.77 5.25 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.693 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.529 ' HG2' ' HD1' ' A' ' 27' ' ' PHE . 18.6 mtp180 -92.78 133.35 36.13 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.258 0.551 . . . . 0.0 109.719 176.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.981 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 15.7 m -72.64 97.95 2.26 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.543 178.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.476 ' HD2' ' HB2' ' A' ' 13' ' ' ASP . 11.5 ptm180 -71.04 139.09 50.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 171.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.2 m 74.22 -15.9 0.57 Allowed 'General case' 0 CA--C 1.538 0.515 0 O-C-N 123.827 0.705 . . . . 0.0 111.817 -176.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.981 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 27.1 m -93.74 -53.9 3.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.139 0.495 . . . . 0.0 110.132 172.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.26 -20.92 29.83 Favored Glycine 0 C--N 1.334 0.461 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.581 -174.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.39 154.15 40.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.963 0.505 . . . . 0.0 111.753 -177.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.529 ' HD1' ' HG2' ' A' ' 20' ' ' ARG . 59.7 t80 -119.63 126.0 50.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.225 177.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.2 mt -127.16 138.52 54.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.066 0.46 . . . . 0.0 110.602 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -112.39 147.8 35.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.473 ' HE2' ' HB3' ' A' ' 68' ' ' PHE . 79.3 mtp -125.46 149.74 47.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.858 0.361 . . . . 0.0 110.952 -174.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.604 ' HG3' ' HB1' ' A' ' 71' ' ' ALA . 94.8 mttt -93.13 139.56 30.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.894 -177.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.489 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -93.98 101.3 13.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.204 176.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 mt -107.39 146.97 30.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.957 0.408 . . . . 0.0 110.85 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 53.2 t -77.13 121.9 85.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 173.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.75 -40.53 47.47 Favored 'Trans proline' 0 N--CA 1.475 0.413 0 C-N-CA 122.868 2.379 . . . . 0.0 113.311 -176.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.462 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 4.7 p30 -86.96 2.59 48.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.136 -176.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 34' ' ' CYS . 82.1 m -123.7 -42.57 2.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.714 0.292 . . . . 0.0 111.375 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.7 m80 67.58 14.38 9.54 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.481 -171.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -104.62 154.25 38.62 Favored Pre-proline 0 N--CA 1.45 -0.448 0 CA-C-N 115.254 -0.885 . . . . 0.0 108.738 172.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.42 146.82 95.61 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.797 2.332 . . . . 0.0 113.189 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.478 HD12 ' HB3' ' A' ' 52' ' ' TYR . 90.0 mt -85.12 150.75 24.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.574 176.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -80.95 112.84 18.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.614 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.6 100.26 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.628 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.501 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 50.8 mt -84.88 105.8 15.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.78 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -97.33 113.87 25.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.003 0.43 . . . . 0.0 111.158 -175.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.58 31.27 5.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.904 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.5 t 71.62 -70.82 0.15 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.995 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.33 -45.78 6.4 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.189 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.01 147.81 26.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.801 0.334 . . . . 0.0 110.652 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 69.7 t -129.67 122.01 54.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.809 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.501 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 42.1 m-20 -103.02 149.79 24.21 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.534 ' HB2' ' O ' ' A' ' 61' ' ' ILE . 88.0 m-85 -111.79 107.13 16.09 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 177.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.454 ' HB2' HD12 ' A' ' 44' ' ' LEU . 73.0 t80 -101.29 131.94 47.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.914 -174.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.599 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 28.9 t -75.53 92.74 2.92 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.29 177.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -71.69 94.6 1.37 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 169.49 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.112 -176.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.07 58.14 0.24 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.583 -0.818 . . . . 0.0 113.161 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.599 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 27.2 m170 -131.76 -27.23 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.98 0.39 . . . . 0.0 111.36 176.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.98 -154.05 16.57 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.044 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mp -95.4 139.87 31.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.935 0.398 . . . . 0.0 110.662 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 50.2 mm -120.77 129.01 76.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.819 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.0 t -81.63 159.85 23.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.902 0.382 . . . . 0.0 110.266 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -71.81 -3.7 23.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.589 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -97.64 0.06 46.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.916 0.388 . . . . 0.0 110.927 174.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.7 ttm-85 -120.82 -22.11 6.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.158 0.504 . . . . 0.0 110.4 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.489 HG21 ' HB1' ' A' ' 32' ' ' ALA . 14.9 p -64.09 154.17 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.415 -178.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -103.33 113.07 26.27 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.513 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 45.3 m-85 -92.99 121.34 34.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.765 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.6 m -113.01 163.43 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.494 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.16 122.81 21.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.149 -178.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.604 ' HB1' ' HG3' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.563 -0.732 . . . . 0.0 110.616 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.528 ' HG ' HD11 ' A' ' 12' ' ' LEU . 48.6 tp . . . . . 0 N--CA 1.451 -0.377 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -98.99 149.22 23.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.585 0.231 . . . . 0.0 110.557 -174.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.2 p -81.13 118.27 71.63 Favored Pre-proline 0 C--O 1.222 -0.382 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.928 -176.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -45.56 -50.26 9.57 Favored 'Trans proline' 0 N--CA 1.476 0.467 0 C-N-CA 124.103 3.202 . . . . 0.0 115.096 -170.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -77.72 -51.26 10.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.154 0.502 . . . . 0.0 111.976 -172.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.58 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -88.66 -34.32 17.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.247 -172.062 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.476 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 14.9 mm-40 64.71 104.18 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.837 0.855 . . . . 0.0 113.286 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.602 ' HD1' HG11 ' A' ' 11' ' ' VAL . 47.9 t-80 -171.79 -71.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.197 170.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.602 HG11 ' HD1' ' A' ' 10' ' ' HIS . 7.2 p -169.3 148.14 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.243 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.528 HD11 ' HG ' ' A' ' 3' ' ' LEU . 46.2 mt -108.66 129.21 55.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.06 175.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -105.86 87.73 2.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.197 0.522 . . . . 0.0 109.847 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -104.3 120.71 41.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.214 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -153.01 -42.23 0.1 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.344 -178.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -73.14 -41.64 63.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.349 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.57 -18.29 1.66 Allowed Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -174.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -106.81 156.37 18.74 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 172.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.519 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . . . -92.02 101.26 13.8 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -93.76 115.09 27.49 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.8 -174.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.746 ' HB2' ' HG2' ' A' ' 26' ' ' GLU . 57.0 m -79.51 92.59 5.3 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 172.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -54.38 -52.66 60.97 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.382 0.426 . . . . 0.0 111.449 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.4 p -68.27 -38.56 81.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.008 0.432 . . . . 0.0 111.772 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.651 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 2.7 m -78.64 -36.51 43.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.126 -174.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.23 15.78 60.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.998 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.746 ' HG2' ' HB2' ' A' ' 21' ' ' CYS . 2.5 pt-20 -103.36 157.31 17.12 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -178.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -120.95 118.16 29.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.368 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.519 ' HB ' ' HB2' ' A' ' 19' ' ' ALA . 65.8 mt -106.8 134.99 46.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.204 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -80.65 145.16 31.79 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.339 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.448 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 79.8 mtp -115.11 114.59 25.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.177 0.513 . . . . 0.0 109.628 177.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.408 ' HE2' HD23 ' A' ' 33' ' ' LEU . 86.7 tttt -87.61 115.94 25.39 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.474 -175.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.34 103.33 3.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.855 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.408 HD23 ' HE2' ' A' ' 31' ' ' LYS . 81.4 mt -104.95 143.84 32.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.884 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.47 ' HB2' HD22 ' A' ' 41' ' ' LEU . 41.9 t -84.69 108.81 16.29 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.427 174.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -48.1 -37.03 29.85 Favored 'Trans proline' 0 N--CA 1.474 0.382 0 C-N-CA 123.541 2.827 . . . . 0.0 114.2 -171.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -66.07 -22.96 66.44 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -175.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 p -129.65 -15.33 3.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -177.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.2 m80 60.59 26.15 15.84 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.189 0.519 . . . . 0.0 110.814 -176.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.784 ' HG3' ' HD2' ' A' ' 40' ' ' PRO . 1.4 tp-100 -108.86 147.68 36.33 Favored Pre-proline 0 N--CA 1.45 -0.449 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.863 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.784 ' HD2' ' HG3' ' A' ' 39' ' ' GLN . 12.6 Cg_endo -55.81 141.81 84.49 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.197 2.598 . . . . 0.0 113.551 -176.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 52' ' ' TYR . 52.0 mt -91.3 151.36 20.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.936 177.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -88.55 123.95 33.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.86 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.3 t -83.58 104.01 11.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.677 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 79.2 mt -89.08 90.11 8.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.078 177.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -79.24 88.82 4.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 175.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.03 74.73 8.07 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.392 -172.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.4 m 61.2 17.88 8.59 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.45 -0.796 . . . . 0.0 112.455 170.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 141.86 -31.29 2.11 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.669 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.22 163.68 13.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.1 t -133.89 112.32 16.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.472 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.494 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 45.9 m-20 -104.01 139.47 39.08 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.519 ' HB3' HD12 ' A' ' 41' ' ' LEU . 86.7 m-85 -99.69 104.28 16.01 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.165 0.507 . . . . 0.0 109.864 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -101.14 123.44 45.3 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.338 -175.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.405 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 42.2 t -89.56 89.87 8.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.352 -0.385 . . . . 0.0 109.99 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -65.2 94.52 0.16 Allowed 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.813 176.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 174.78 -22.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 1.175 . . . . 0.0 108.788 -173.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.77 50.03 0.81 Allowed Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.407 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 37.9 m170 -126.77 -11.07 6.1 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 122.694 -0.297 . . . . 0.0 110.62 176.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.15 -149.94 21.08 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.826 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.4 mt -96.45 127.82 42.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.211 0.529 . . . . 0.0 110.749 -178.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.44 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 50.6 mm -99.5 119.78 47.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.009 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.1 m -65.16 152.33 43.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.639 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -59.15 -28.32 66.46 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -175.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -79.11 -0.3 31.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.625 0.25 . . . . 0.0 111.589 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -120.98 12.4 11.19 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.3 t -92.68 126.18 45.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.347 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -93.75 102.81 14.96 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.695 -0.484 . . . . 0.0 109.695 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 98.8 m-85 -87.05 111.95 21.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.386 178.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.8 m -100.66 159.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.359 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.6 mt -79.97 120.79 24.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.749 0.309 . . . . 0.0 110.501 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.76 -0.638 . . . . 0.0 110.773 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.972 0.415 . . . . 0.0 111.353 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -128.18 160.29 32.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.233 177.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 2.0 m -74.53 132.15 78.89 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.346 178.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 43.8 Cg_exo -56.44 -49.96 13.4 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.742 2.295 . . . . 0.0 112.58 -178.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -96.13 -61.67 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.025 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.2 p -81.89 60.8 4.92 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -36.63 113.69 0.25 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.573 -1.194 . . . . 0.0 112.906 -177.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -176.76 178.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.002 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.621 HG13 ' HB3' ' A' ' 22' ' ' ARG . 7.7 p -68.6 133.29 32.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.267 0.556 . . . . 0.0 111.696 -179.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 21' ' ' CYS . 7.7 mt -119.25 93.94 4.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.269 174.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -98.95 144.18 28.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.355 0.598 . . . . 0.0 110.771 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -115.23 126.38 54.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.581 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -109.97 -58.17 2.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.23 0.538 . . . . 0.0 110.527 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -133.43 -151.65 0.45 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.213 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.1 -21.37 52.98 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.701 176.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -98.48 115.53 28.74 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 174.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.91 132.31 36.58 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -91.42 116.51 28.9 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.301 -174.492 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.443 ' HA ' HD21 ' A' ' 12' ' ' LEU . 11.0 t -79.29 89.66 4.94 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 173.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.621 ' HB3' HG13 ' A' ' 11' ' ' VAL . 15.1 ttp85 -83.82 146.41 28.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.182 -166.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 m 72.78 -13.3 0.68 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.923 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.467 ' H ' ' C ' ' A' ' 22' ' ' ARG . 59.4 m -94.12 -24.61 17.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.815 175.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.64 -10.39 74.79 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.713 177.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -98.4 175.67 5.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.803 0.335 . . . . 0.0 110.732 -177.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -140.51 152.35 45.51 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.55 HG23 HD22 ' A' ' 70' ' ' LEU . 61.6 mt -128.27 116.15 40.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -80.56 140.91 35.56 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.461 ' HE2' ' HB3' ' A' ' 68' ' ' PHE . 34.3 mtp -101.77 137.88 39.49 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.808 0.337 . . . . 0.0 110.099 -177.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -95.18 128.04 41.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.78 -178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.51 111.01 22.34 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.475 HD21 ' HA ' ' A' ' 40' ' ' PRO . 85.0 mt -119.39 161.57 20.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.748 178.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.514 ' SG ' ' OD1' ' A' ' 36' ' ' ASP . 50.8 t -99.73 114.54 65.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.525 ' HG3' ' HB2' ' A' ' 67' ' ' GLU . 52.3 Cg_exo -54.25 -28.33 51.85 Favored 'Trans proline' 0 N--CA 1.476 0.46 0 C-N-CA 123.291 2.661 . . . . 0.0 114.018 -171.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.514 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -76.34 -21.75 55.77 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -174.004 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.71 ' SG ' ' HG2' ' A' ' 39' ' ' GLN . 1.8 p -133.43 -16.55 2.37 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -176.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 71.12 2.23 4.15 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.609 0.764 . . . . 0.0 112.304 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.71 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 3.9 pt20 -76.06 158.51 82.1 Favored Pre-proline 0 C--O 1.238 0.495 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 174.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.475 ' HA ' HD21 ' A' ' 33' ' ' LEU . 22.3 Cg_exo -66.38 151.79 82.41 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.854 2.37 . . . . 0.0 112.296 177.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.512 HD13 ' HB3' ' A' ' 52' ' ' TYR . 70.7 mt -92.66 142.57 27.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.604 176.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -85.26 106.3 16.57 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.4 t -79.31 110.63 15.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.755 -175.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.52 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 38.8 mt -91.34 135.87 33.51 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.439 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -109.96 98.09 7.46 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.12 -162.14 0.88 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.735 -176.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.2 t -73.68 87.14 1.67 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.947 0.403 . . . . 0.0 110.216 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.44 8.79 81.01 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.432 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.98 138.04 53.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.957 0.408 . . . . 0.0 111.385 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 62.3 t -108.03 112.34 39.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 173.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.52 ' HB3' ' HB2' ' A' ' 44' ' ' LEU . 30.8 t0 -109.72 123.01 48.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.808 0.337 . . . . 0.0 110.356 -171.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.512 ' HB3' HD13 ' A' ' 41' ' ' LEU . 80.8 m-85 -93.03 103.74 16.02 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.005 0.431 . . . . 0.0 109.922 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -105.88 115.86 30.95 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.774 -174.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.6 t -91.19 89.59 7.41 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -78.53 94.73 5.02 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.814 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -177.49 24.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.034 -0.984 . . . . 0.0 108.43 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.97 44.37 61.78 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.69 -176.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 67.7 m170 -122.03 -65.86 1.08 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 117.077 0.438 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.02 -160.36 26.23 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.537 -0.84 . . . . 0.0 112.422 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.2 mt -91.19 140.71 29.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.057 0.456 . . . . 0.0 111.218 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.48 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 42.9 mm -114.34 130.26 68.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.16 -178.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.46 ' O ' HG22 ' A' ' 66' ' ' VAL . 25.8 t -83.53 161.76 21.11 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 177.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.542 ' HZ2' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -48.5 -44.92 36.37 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.267 0.627 . . . . 0.0 112.366 -176.052 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -75.16 -22.28 58.19 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -174.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -85.61 -20.1 30.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.689 0.281 . . . . 0.0 110.692 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 62' ' ' SER . 55.8 t -61.83 134.16 27.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 0.0 111.289 -178.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.525 ' HB2' ' HG3' ' A' ' 35' ' ' PRO . 34.4 tt0 -84.45 105.93 15.65 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.461 ' HB3' ' HE2' ' A' ' 30' ' ' MET . 77.7 m-85 -99.64 116.53 31.97 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.364 -177.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.8 m -108.68 166.58 4.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 172.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.55 HD22 HG23 ' A' ' 28' ' ' ILE . 78.5 mt -82.48 123.6 29.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.626 0.251 . . . . 0.0 110.887 -175.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.778 -0.629 . . . . 0.0 110.423 177.596 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.518 HD12 HE21 ' A' ' 14' ' ' GLN . 71.0 mt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.881 0.372 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.503 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 47.1 m80 -126.2 160.09 31.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.535 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.584 ' SG ' ' HG ' ' A' ' 12' ' ' LEU . 33.6 m -74.44 129.23 84.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.807 175.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 23.8 Cg_exo -64.71 -30.82 59.51 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.515 2.143 . . . . 0.0 112.07 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -102.7 -68.47 0.83 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.708 -178.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.524 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 9.0 p -87.33 62.74 7.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.689 -179.611 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -36.43 107.97 0.07 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 114.222 -1.354 . . . . 0.0 113.776 -174.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.503 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 1.5 t-160 -174.89 -165.96 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 177.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.445 ' HB ' ' HG ' ' A' ' 23' ' ' SER . 73.5 t -79.58 136.51 23.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-N 118.614 0.643 . . . . 0.0 112.187 -174.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.584 ' HG ' ' SG ' ' A' ' 5' ' ' CYS . 6.4 mt -123.16 140.05 53.43 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.383 177.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -121.17 104.8 10.02 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 171.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.518 HE21 HD12 ' A' ' 3' ' ' LEU . 22.1 pt20 -118.51 137.84 52.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.103 -0.498 . . . . 0.0 112.024 -170.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 14' ' ' GLN . 2.3 t70 172.71 -168.17 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 175.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 p30 59.97 -46.29 0.09 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.65 1.58 . . . . 0.0 114.924 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.78 -29.28 0.54 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.256 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -136.85 139.54 41.76 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 174.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.11 124.85 51.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.891 0.377 . . . . 0.0 111.099 -175.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.0 ttt-85 -105.65 134.79 48.2 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 175.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.625 ' CB ' ' HB2' ' A' ' 24' ' ' CYS . 61.7 m -62.97 122.85 17.04 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.331 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -62.79 -50.4 71.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.642 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.445 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -107.08 0.36 23.47 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -174.17 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.625 ' HB2' ' CB ' ' A' ' 21' ' ' CYS . 61.8 m -93.88 -75.83 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.282 0.563 . . . . 0.0 110.84 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.28 -24.1 2.37 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.839 -173.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.565 ' OE2' ' HB3' ' A' ' 24' ' ' CYS . 6.3 mp0 -64.81 143.93 57.6 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.907 0.384 . . . . 0.0 111.14 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -118.49 117.46 29.08 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 171.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.404 HG23 HD23 ' A' ' 70' ' ' LEU . 60.2 mt -118.76 116.56 51.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 -174.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -76.27 148.43 37.58 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.3 mtt -109.27 138.12 46.1 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.033 0.444 . . . . 0.0 110.697 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -86.74 110.27 19.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.81 105.42 7.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.724 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.0 mt -113.74 149.25 35.09 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.677 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.494 ' SG ' ' OD1' ' A' ' 36' ' ' ASP . 42.0 t -82.75 122.84 78.54 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 171.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.53 -32.67 44.64 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.875 2.383 . . . . 0.0 113.251 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.494 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -89.22 -10.14 48.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.453 -175.312 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.566 ' SG ' ' CE1' ' A' ' 58' ' ' HIS . 36.4 m -114.57 -40.81 3.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.03 0.443 . . . . 0.0 111.053 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.8 m80 61.57 22.03 12.58 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.496 -169.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -109.14 151.97 42.28 Favored Pre-proline 0 N--CA 1.445 -0.707 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.717 172.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.64 139.05 89.11 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 123.072 2.515 . . . . 0.0 113.481 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.487 HD23 ' HB2' ' A' ' 34' ' ' CYS . 84.1 mt -82.26 158.97 23.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.37 175.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -95.6 111.24 23.21 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.1 t -77.48 104.25 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.241 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.517 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 67.8 mt -93.72 126.31 38.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.181 -177.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -97.82 102.91 14.79 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 171.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.02 28.7 1.33 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.393 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.9 p 42.13 80.83 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 O-C-N 124.057 0.848 . . . . 0.0 111.508 -174.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.03 -59.1 0.69 Allowed Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -174.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.44 159.32 20.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.785 0.326 . . . . 0.0 110.58 176.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.4 t -117.58 124.75 73.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.517 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 26.1 m-20 -107.27 124.61 50.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.964 0.411 . . . . 0.0 111.197 -177.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -84.12 98.54 9.95 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -100.94 127.48 47.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.988 0.423 . . . . 0.0 111.094 -172.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 42.2 t -88.54 89.22 7.9 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 175.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -75.7 94.57 3.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.993 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -178.7 17.12 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.347 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.84 21.97 64.87 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.352 -176.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.566 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 39.0 m170 -99.09 -52.64 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 122.635 -0.332 . . . . 0.0 111.466 -177.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.96 -161.84 23.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.132 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mp -91.83 134.08 35.07 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.0 mm -95.54 136.52 26.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 m -65.28 147.2 53.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.787 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -59.53 -45.17 92.56 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -81.62 5.5 17.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.884 0.373 . . . . 0.0 111.279 -178.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -102.23 -12.04 18.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.757 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.74 130.7 35.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.193 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -86.55 107.13 17.98 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -95.37 116.18 28.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.581 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.4 167.03 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.719 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.404 HD23 HG23 ' A' ' 28' ' ' ILE . 90.3 mt -72.78 126.36 29.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.774 -177.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.742 -0.647 . . . . 0.0 111.047 179.607 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.512 ' HG ' ' H ' ' A' ' 4' ' ' HIS . 31.5 tp . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.512 ' H ' ' HG ' ' A' ' 3' ' ' LEU . 69.5 m80 -129.79 148.53 51.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.841 0.353 . . . . 0.0 110.611 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.43 129.04 61.84 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.355 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.58 -25.57 54.8 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.312 2.008 . . . . 0.0 111.094 171.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -85.41 -82.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.132 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p -95.16 69.34 3.17 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.387 -176.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -37.98 103.54 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 113.749 -1.568 . . . . 0.0 112.954 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.53 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 7.8 m-70 -170.01 179.05 3.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 176.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.3 p -71.62 137.31 23.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 CA-C-O 121.665 0.745 . . . . 0.0 111.822 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.503 ' HB2' ' HB3' ' A' ' 3' ' ' LEU . 81.3 mt -112.21 122.32 47.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.806 174.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -102.03 113.31 26.43 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -127.23 104.67 8.08 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.268 -173.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -98.09 -74.02 0.59 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.033 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -117.98 104.72 11.16 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.675 0.274 . . . . 0.0 111.507 -174.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.4 -51.15 4.52 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 114.451 0.54 . . . . 0.0 114.451 168.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -111.71 151.67 28.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.189 0.519 . . . . 0.0 112.255 -174.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.04 108.44 18.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.647 174.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 20' ' ' ARG . 14.1 ttm-85 -98.79 130.05 45.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.234 0.54 . . . . 0.0 110.952 -178.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.54 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 91.7 m -66.94 97.87 0.52 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.889 173.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -61.93 -38.56 88.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.853 0.359 . . . . 0.0 110.848 -174.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -89.86 -43.77 10.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.248 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.54 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 3.2 m -66.1 -41.96 89.94 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.169 -174.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.12 0.45 58.54 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.118 -175.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -91.7 166.01 13.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.77 0.319 . . . . 0.0 110.684 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -125.18 126.87 45.92 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.521 HG21 HD22 ' A' ' 70' ' ' LEU . 60.9 mt -107.15 136.17 43.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.694 -177.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -93.36 149.87 20.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.861 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.0 mtt -102.28 159.0 15.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.342 0.592 . . . . 0.0 111.445 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.766 ' HE3' ' HA ' ' A' ' 71' ' ' ALA . 36.1 ttmt -130.47 109.6 10.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.34 -178.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.14 98.73 6.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.957 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.9 mt -111.36 147.3 35.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.191 0.519 . . . . 0.0 110.847 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.485 ' HB2' HD23 ' A' ' 41' ' ' LEU . 50.4 t -78.68 135.39 60.08 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.935 175.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.33 -32.3 72.55 Favored 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 122.417 2.078 . . . . 0.0 113.468 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.47 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 3.4 p30 -89.66 -17.08 29.07 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -172.414 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.0 p -142.15 1.86 1.46 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 38.53 33.9 0.07 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.722 1.209 . . . . 0.0 113.92 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 64.2 mt-30 -93.57 145.23 29.56 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 172.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 39' ' ' GLN . 45.8 Cg_exo -57.52 126.76 22.94 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 123.148 2.566 . . . . 0.0 112.784 -177.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.485 HD23 ' HB2' ' A' ' 34' ' ' CYS . 96.0 mt -78.02 139.78 39.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.613 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.517 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 9.6 tt0 -79.45 121.39 25.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.965 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.7 t -74.26 103.39 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.628 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 75.8 mt -86.49 107.75 18.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.258 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -99.68 90.08 4.35 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.9 86.64 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.194 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.5 p 45.48 36.3 2.4 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.94 0.896 . . . . 0.0 112.908 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.37 -32.13 5.35 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.355 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.94 111.37 19.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.628 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 9.5 p -106.95 125.65 62.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.24 0.543 . . . . 0.0 111.002 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -134.84 170.76 15.37 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.402 ' HB3' HD12 ' A' ' 41' ' ' LEU . 97.4 m-85 -116.25 120.55 39.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.292 0.568 . . . . 0.0 111.45 -172.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.517 ' HB3' ' HB3' ' A' ' 42' ' ' GLN . 64.2 t80 -101.22 130.88 47.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.225 -179.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.662 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 51.1 t -87.89 103.1 15.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.634 -178.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.489 ' O ' ' HB2' ' A' ' 56' ' ' HIS . 40.4 mt-30 -72.47 95.26 1.76 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.503 0.668 . . . . 0.0 110.537 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 1.0 OUTLIER 170.04 -3.66 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.318 -1.31 . . . . 0.0 109.572 -177.281 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.88 28.31 16.18 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.223 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.662 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 59.6 m170 -100.86 -8.42 22.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 110.599 177.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.32 -148.06 32.22 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.237 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.2 mt -83.47 143.66 30.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.714 0.292 . . . . 0.0 110.754 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.5 mm -111.46 135.15 51.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.04 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.3 m -58.35 142.63 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -61.13 -30.74 70.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.619 -173.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -88.92 0.05 56.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.628 0.252 . . . . 0.0 111.651 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -99.42 -14.88 18.94 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.9 t -70.15 125.48 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.233 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -88.56 102.14 14.64 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -82.72 100.52 10.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.855 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.447 HG21 ' HB3' ' A' ' 31' ' ' LYS . 34.1 m -100.77 176.46 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.79 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.521 HD22 HG21 ' A' ' 28' ' ' ILE . 66.4 mt -87.26 130.46 34.58 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.848 0.356 . . . . 0.0 110.185 -178.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.766 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.992 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.8 mt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -127.03 155.96 42.41 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.9 m -74.72 122.19 86.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.74 -22.11 69.65 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.633 2.222 . . . . 0.0 111.942 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -105.06 -72.93 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.66 178.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.496 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 2.6 p -80.74 12.58 3.08 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -171.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 51.71 -152.86 0.21 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 174.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.2 m170 70.24 -97.9 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.27 0.628 . . . . 0.0 111.442 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.0 p -164.98 147.79 2.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.017 0.437 . . . . 0.0 111.49 -176.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.505 HD22 HD11 ' A' ' 28' ' ' ILE . 26.1 mt -112.01 81.4 1.46 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.58 173.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.458 ' HB3' ' HE ' ' A' ' 22' ' ' ARG . 8.9 t70 -94.78 100.81 12.64 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -89.3 145.54 25.31 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.759 -169.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -67.25 -63.52 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 170.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -176.74 104.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.724 -1.126 . . . . 0.0 108.986 176.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.68 -62.45 4.51 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.73 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -77.21 117.81 19.11 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.01 105.44 17.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.604 -174.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -91.13 121.9 33.32 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 173.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.63 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 74.3 m -70.64 90.93 0.78 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 174.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.458 ' HE ' ' HB3' ' A' ' 13' ' ' ASP . 34.7 mtm180 -58.83 -59.41 5.48 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -177.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.8 m -71.96 -9.48 58.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -176.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.63 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 29.7 m -93.77 -50.54 5.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.242 0.544 . . . . 0.0 110.891 175.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.52 14.27 24.12 Favored Glycine 0 CA--C 1.521 0.461 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.711 -172.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.496 ' OE1' ' SG ' ' A' ' 8' ' ' CYS . 12.5 mt-10 -103.38 173.46 6.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.026 0.441 . . . . 0.0 111.712 -175.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -132.43 116.48 16.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.742 175.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.505 HD11 HD22 ' A' ' 12' ' ' LEU . 58.0 mt -112.96 135.1 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.18 0.514 . . . . 0.0 110.989 -179.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -94.41 145.8 24.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.185 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.2 mtt -124.78 153.46 42.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.252 0.549 . . . . 0.0 111.189 176.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 71' ' ' ALA . 63.6 mttm -110.44 128.75 55.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.171 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.19 109.01 17.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.151 177.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 40' ' ' PRO . 67.0 mt -117.65 158.12 25.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.028 0.442 . . . . 0.0 110.995 -177.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.46 ' HB2' HD23 ' A' ' 41' ' ' LEU . 16.0 t -81.0 125.07 80.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.417 ' HG3' ' HG2' ' A' ' 65' ' ' ARG . 19.3 Cg_endo -57.03 -26.38 68.25 Favored 'Trans proline' 0 N--CA 1.476 0.46 0 C-N-CA 123.432 2.755 . . . . 0.0 114.912 -169.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.52 ' OD1' ' HE1' ' A' ' 58' ' ' HIS . 6.9 p-10 -98.92 -50.2 4.28 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -174.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 p -92.77 -10.7 36.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.884 0.373 . . . . 0.0 110.996 -174.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 34.2 t60 65.8 2.94 2.32 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.51 0.724 . . . . 0.0 112.044 174.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.509 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 32.8 mm-40 -69.81 146.55 95.63 Favored Pre-proline 0 C--O 1.236 0.386 0 CA-C-O 120.422 0.153 . . . . 0.0 110.773 176.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.455 ' HA ' HD22 ' A' ' 33' ' ' LEU . 17.0 Cg_exo -67.81 146.61 72.92 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.472 2.781 . . . . 0.0 113.055 -177.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.46 HD23 ' HB2' ' A' ' 34' ' ' CYS . 38.2 mt -99.42 137.93 37.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.585 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -87.85 128.59 35.34 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.33 111.64 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.012 0.434 . . . . 0.0 110.762 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' A' ' 53' ' ' PHE . 90.7 mt -88.49 85.88 6.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.348 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -90.76 101.84 14.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.635 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -114.1 161.71 17.41 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 175.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.0 p -74.69 79.75 2.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.511 0.672 . . . . 0.0 110.156 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 153.77 -61.52 0.38 Allowed Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.558 -177.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.29 136.18 51.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.83 0.348 . . . . 0.0 111.045 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.503 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 61.0 t -117.4 116.77 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.665 174.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -131.45 -172.09 2.76 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.693 -177.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.403 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 87.3 m-85 -121.51 131.59 54.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.942 0.401 . . . . 0.0 111.458 -178.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.521 ' HB2' HD12 ' A' ' 44' ' ' LEU . 75.2 t80 -107.17 122.32 46.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.243 178.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 45.5 t -68.05 98.9 0.81 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.564 178.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.515 ' O ' ' HB3' ' A' ' 56' ' ' HIS . 10.1 tt0 -70.78 116.02 10.6 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 173.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.515 ' HB3' ' O ' ' A' ' 55' ' ' GLN . 27.9 t60 88.43 86.1 0.02 OUTLIER 'General case' 0 C--O 1.233 0.227 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.91 88.6 0.31 Allowed Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.178 -0.919 . . . . 0.0 114.185 171.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.523 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 2.6 m80 156.29 -73.8 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.649 1.179 . . . . 0.0 111.533 164.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.12 -157.04 15.78 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -167.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.12 130.74 45.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.859 0.829 . . . . 0.0 111.1 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.0 mm -108.3 138.29 35.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.8 p -56.27 125.77 23.28 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.004 0.43 . . . . 0.0 110.332 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.594 ' HB2' ' HZ2' ' A' ' 63' ' ' LYS . 4.8 ttmp? -57.79 -29.28 64.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.405 -172.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -83.51 -9.49 58.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.012 0.434 . . . . 0.0 111.499 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.417 ' HG2' ' HG3' ' A' ' 35' ' ' PRO . 41.5 ttm180 -97.61 -15.27 20.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.024 0.44 . . . . 0.0 110.294 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.5 t -56.52 137.87 17.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.679 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -92.25 114.49 27.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.69 177.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -100.53 114.38 27.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.588 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.0 m -114.06 153.6 15.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.15 177.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.67 ' H ' HD21 ' A' ' 70' ' ' LEU . 2.3 pt? -75.41 145.14 41.81 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.411 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.488 -0.768 . . . . 0.0 110.547 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.536 ' HA ' ' HA ' ' A' ' 11' ' ' VAL . 18.7 m80 -84.52 152.74 23.72 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.91 104.14 2.21 Favored Pre-proline 0 C--N 1.332 -0.163 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.465 -173.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 4' ' ' HIS . 83.8 Cg_endo -77.97 72.82 6.0 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.246 2.631 . . . . 0.0 112.603 -172.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -173.54 -45.06 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.683 -1.144 . . . . 0.0 108.578 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.514 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 4.8 p -118.42 -25.52 6.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.484 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.461 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 15.5 mm-40 72.5 123.47 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.053 0.941 . . . . 0.0 112.8 177.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 174.41 -87.49 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.27 174.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.536 ' HA ' ' HA ' ' A' ' 4' ' ' HIS . 13.8 p -171.78 142.22 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.013 0.435 . . . . 0.0 111.264 179.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.493 HD21 ' HA ' ' A' ' 21' ' ' CYS . 82.5 mt -117.99 96.91 5.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.872 175.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -88.79 105.41 17.7 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.638 ' HG2' ' HB1' ' A' ' 19' ' ' ALA . 77.4 mt-30 -84.85 143.76 28.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.454 -168.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.8 -58.65 7.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.233 170.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -173.89 -54.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.362 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -104.37 -64.34 0.68 Allowed Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.715 177.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.79 158.33 22.85 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.638 ' HB1' ' HG2' ' A' ' 14' ' ' GLN . . . -129.95 170.41 13.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.089 0.471 . . . . 0.0 111.568 -175.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -150.91 144.37 24.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.479 -0.782 . . . . 0.0 108.97 176.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 56.8 m -62.68 109.33 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 174.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -62.86 -54.85 32.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.157 -172.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 m -77.89 -41.15 37.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.984 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.555 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 3.4 m -67.77 -53.22 28.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.049 0.452 . . . . 0.0 110.748 -175.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.78 -12.98 42.1 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.077 -0.582 . . . . 0.0 111.795 -174.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.514 ' OE1' ' SG ' ' A' ' 8' ' ' CYS . 11.0 mt-10 -65.3 152.01 44.82 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 123.038 0.535 . . . . 0.0 111.395 -177.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -96.62 112.42 24.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.666 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.2 mt -128.53 94.23 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -93.73 169.96 9.92 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 66.5 mtt -122.2 138.84 54.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.057 0.456 . . . . 0.0 111.297 -176.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -77.76 131.11 37.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.557 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.71 87.93 7.42 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 40' ' ' PRO . 72.1 mt -105.59 148.24 27.53 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.111 -175.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.471 ' HB2' HD22 ' A' ' 41' ' ' LEU . 53.2 t -76.67 124.03 87.69 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 171.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.11 -29.32 86.79 Favored 'Trans proline' 0 N--CA 1.474 0.382 0 C-N-CA 123.087 2.525 . . . . 0.0 113.459 -170.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.443 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -77.74 -36.84 50.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.712 -174.096 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.548 ' HB2' ' OE1' ' A' ' 39' ' ' GLN . 2.7 p -120.44 -22.36 6.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -170.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 44.0 m80 67.6 18.19 9.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.961 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.548 ' OE1' ' HB2' ' A' ' 37' ' ' CYS . 1.8 mp0 -78.86 139.93 58.02 Favored Pre-proline 0 C--O 1.238 0.463 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 168.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.435 ' HA ' HD23 ' A' ' 33' ' ' LEU . 38.5 Cg_exo -60.64 129.86 31.06 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.721 2.281 . . . . 0.0 112.04 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.491 ' HB3' ' HB3' ' A' ' 52' ' ' TYR . 95.8 mt -73.18 126.88 31.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.14 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -72.52 120.44 18.13 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.144 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.9 t -78.22 101.27 3.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.456 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' A' ' 53' ' ' PHE . 61.6 mt -80.75 99.0 8.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.696 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -98.21 106.43 18.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.113 0.482 . . . . 0.0 111.025 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -107.29 -179.12 3.83 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.305 174.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.1 t -80.55 82.83 6.47 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.05 0.452 . . . . 0.0 110.313 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.6 -12.38 23.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.846 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.93 138.02 53.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.607 0.241 . . . . 0.0 111.254 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 58.3 t -136.39 119.52 22.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 177.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.487 ' HB3' HD21 ' A' ' 60' ' ' LEU . 6.0 m-20 -130.61 158.43 40.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.926 0.394 . . . . 0.0 111.183 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.491 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 95.6 m-85 -108.03 113.35 26.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.191 177.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.507 ' HB2' HD13 ' A' ' 44' ' ' LEU . 62.3 t80 -103.61 132.19 50.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.01 -175.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 44.0 t -101.98 99.74 9.95 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.172 178.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -70.43 94.97 1.0 Allowed 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.53 0.681 . . . . 0.0 110.073 176.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 176.4 22.16 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.116 -1.402 . . . . 0.0 109.118 -179.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.01 31.63 66.64 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.633 -176.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.455 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 49.9 m170 -113.58 -10.49 13.13 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 117.082 0.441 . . . . 0.0 110.912 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.51 -142.41 35.32 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.063 176.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 51' ' ' ASP . 96.0 mt -92.84 134.47 35.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.876 0.37 . . . . 0.0 110.922 -177.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.2 mm -107.06 120.53 58.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.263 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.4 m -61.75 147.99 44.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.272 175.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.437 ' HA ' HG23 ' A' ' 66' ' ' VAL . 19.2 pttp -70.94 0.32 7.63 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -172.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -82.67 -30.52 29.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.429 0.633 . . . . 0.0 109.647 171.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 65' ' ' ARG . 42.2 mtm180 -102.95 13.67 33.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.875 -172.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 63' ' ' LYS . 61.7 t -87.48 128.42 40.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.737 175.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -92.5 105.1 17.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.001 0.429 . . . . 0.0 109.93 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -88.77 115.59 26.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.753 -178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.0 m -113.54 153.45 15.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.172 177.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.03 128.37 36.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.712 0.291 . . . . 0.0 110.459 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.068 -177.449 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.513 ' HB2' ' HB2' ' A' ' 12' ' ' LEU . 90.8 mt . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -116.49 139.22 50.7 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.499 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 7' ' ' GLN . 10.8 t -84.58 108.88 16.38 Favored Pre-proline 0 C--O 1.215 -0.738 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.147 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.51 -15.63 4.32 Favored 'Trans proline' 0 N--CA 1.48 0.709 0 C-N-CA 123.126 2.551 . . . . 0.0 113.316 -174.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . 0.484 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 7.3 tm0? -81.49 -39.57 24.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.423 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.6 p -132.51 1.71 3.75 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.878 0.37 . . . . 0.0 111.525 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 5' ' ' CYS . 87.2 mt-30 54.69 24.9 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 124.128 0.971 . . . . 0.0 112.656 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -99.87 171.81 7.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.467 175.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.49 133.86 29.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -172.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.513 ' HB2' ' HB2' ' A' ' 3' ' ' LEU . 97.5 mt -99.74 106.72 18.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.666 -1.152 . . . . 0.0 108.335 166.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -97.51 135.96 38.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.002 0.43 . . . . 0.0 110.841 -176.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -94.66 96.6 9.52 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.624 -176.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -73.59 -29.83 62.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.9 0.857 . . . . 0.0 109.244 172.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.472 ' C ' ' H ' ' A' ' 18' ' ' HIS . 8.3 p30 -160.74 -148.07 0.16 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.447 -1.251 . . . . 0.0 107.819 178.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.2 24.76 1.08 Allowed Glycine 0 CA--C 1.524 0.655 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.853 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.472 ' H ' ' C ' ' A' ' 16' ' ' ASN . 33.1 m170 -133.59 136.13 44.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.78 102.83 13.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.079 0.466 . . . . 0.0 109.746 176.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -100.92 110.65 22.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.63 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.5 t -71.72 104.17 3.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.161 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 22' ' ' ARG . 62.7 mtt85 -71.77 86.66 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.885 178.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.8 p 174.42 -66.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.983 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.478 ' SG ' ' OE1' ' A' ' 7' ' ' GLN . 4.0 p -93.78 -18.13 22.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.94 178.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.81 14.01 80.39 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.538 -0.839 . . . . 0.0 111.554 -177.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -61.11 130.3 45.63 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.423 -0.389 . . . . 0.0 110.331 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -98.54 104.88 16.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.396 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.2 mt -113.25 105.34 18.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.991 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -88.64 171.62 9.88 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.524 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 49.3 mtt -117.4 122.93 45.17 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.131 0.491 . . . . 0.0 110.778 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -88.46 119.46 28.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.562 -179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.424 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -78.01 107.53 10.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.69 -176.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 99.4 mt -113.58 157.64 21.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.257 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.624 ' SG ' HD11 ' A' ' 61' ' ' ILE . 36.8 t -84.93 115.92 63.1 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.52 -19.41 67.68 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.849 2.366 . . . . 0.0 113.795 -172.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.433 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 5.2 p30 -86.36 -36.5 19.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -175.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 3.6 p -118.86 -6.05 10.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.927 0.394 . . . . 0.0 111.485 -177.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 59.95 21.31 10.35 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.75 0.82 . . . . 0.0 111.844 177.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.479 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 78.2 mt-30 -109.33 157.15 38.03 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.479 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 16.7 Cg_endo -57.13 147.64 74.36 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.137 2.558 . . . . 0.0 113.627 -174.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.449 HD12 ' HB3' ' A' ' 52' ' ' TYR . 90.7 mt -92.81 159.79 15.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.641 177.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -93.87 109.49 21.19 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 174.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.31 101.85 3.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.987 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 85.4 mt -76.78 87.95 3.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.589 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -96.55 90.28 5.3 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.491 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.67 10.77 37.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.136 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 80.0 m 71.3 -47.1 0.65 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.727 0.811 . . . . 0.0 111.214 -177.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.69 -55.89 15.47 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.538 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.04 136.26 51.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.668 0.27 . . . . 0.0 110.669 175.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 58.1 t -109.43 109.39 28.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.863 176.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -112.93 152.5 29.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.107 0.479 . . . . 0.0 111.41 -175.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.449 ' HB3' HD12 ' A' ' 41' ' ' LEU . 88.0 m-85 -108.64 106.37 16.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.969 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -113.82 131.09 56.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.629 -174.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 41.7 t -81.76 89.66 6.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -71.54 94.72 1.32 Allowed 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 172.13 -35.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.0 -1.455 . . . . 0.0 107.404 -169.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.89 57.75 0.18 Allowed Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.795 178.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.476 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 23.7 m170 -137.16 -3.62 1.96 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 117.004 0.402 . . . . 0.0 111.282 174.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.28 -148.25 35.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.091 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mp -99.56 147.39 25.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.901 0.381 . . . . 0.0 110.31 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.624 HD11 ' SG ' ' A' ' 34' ' ' CYS . 44.4 mt -107.55 144.68 15.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.193 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.2 m -57.13 131.16 49.11 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -53.36 -39.48 64.2 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.813 -174.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -90.14 6.89 40.66 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -176.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -116.82 -5.76 11.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.942 0.401 . . . . 0.0 110.599 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.424 HG11 ' HB1' ' A' ' 32' ' ' ALA . 58.6 t -65.43 146.42 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.992 178.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -78.27 105.71 9.69 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.524 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 65.4 m-85 -100.11 110.36 22.65 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.563 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.3 m -100.93 153.69 4.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.161 175.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.9 mt -70.01 118.1 12.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.493 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.197 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.043 -178.738 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 96.5 mt . . . . . 0 C--O 1.232 0.173 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.482 ' HB3' ' OE1' ' A' ' 9' ' ' GLN . 63.2 m80 -124.78 162.09 25.04 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.967 0.413 . . . . 0.0 110.808 -175.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 61.2 m -80.63 150.55 70.07 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.001 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -86.98 12.08 3.08 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.799 2.333 . . . . 0.0 112.022 175.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -149.12 -69.4 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.743 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.656 ' SG ' ' HB2' ' A' ' 24' ' ' CYS . 26.6 p -98.71 72.59 1.99 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.559 0.695 . . . . 0.0 109.323 -178.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.482 ' OE1' ' HB3' ' A' ' 4' ' ' HIS . 17.8 mm-40 -35.0 107.47 0.05 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 113.447 -1.706 . . . . 0.0 113.353 178.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.667 ' HD2' HG12 ' A' ' 11' ' ' VAL . 6.4 t60 -155.05 -79.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.445 174.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.667 HG12 ' HD2' ' A' ' 10' ' ' HIS . 11.9 p -173.72 145.62 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.585 178.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.46 HD22 ' HB3' ' A' ' 21' ' ' CYS . 97.8 mt -94.73 109.67 21.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.607 174.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.611 ' HB2' ' HB2' ' A' ' 22' ' ' ARG . 15.6 t70 -104.76 86.73 2.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.206 0.527 . . . . 0.0 109.673 -178.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.475 ' NE2' ' H ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -72.52 131.38 42.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.386 0.612 . . . . 0.0 111.047 -173.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -94.32 -58.1 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.779 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -167.91 107.14 0.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.29 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.98 -41.06 2.99 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.075 175.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.501 ' HB2' ' O ' ' A' ' 28' ' ' ILE . 14.7 p80 -124.18 169.99 11.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.574 -0.368 . . . . 0.0 110.861 -178.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.85 110.41 22.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.354 0.597 . . . . 0.0 111.208 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -99.01 102.88 14.76 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.341 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.617 ' SG ' ' HB2' ' A' ' 26' ' ' GLU . 30.2 p -68.72 114.6 7.22 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.663 -177.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.611 ' HB2' ' HB2' ' A' ' 13' ' ' ASP . 26.2 ttt180 -61.64 128.62 37.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.895 -167.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.2 m 74.65 -33.62 0.25 Allowed 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.961 -1.018 . . . . 0.0 113.12 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.656 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 2.0 p -94.21 4.01 54.47 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -174.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.51 -57.5 0.55 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 159.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.617 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 9.5 mt-10 -43.46 123.35 3.0 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -170.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -97.97 95.21 7.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.729 170.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.501 ' O ' ' HB2' ' A' ' 18' ' ' HIS . 76.1 mt -97.14 145.79 8.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.315 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.459 ' HA ' ' HB2' ' A' ' 18' ' ' HIS . 38.0 mt-10 -104.22 148.12 26.69 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.547 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 89.7 mmm -114.22 151.58 32.56 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.586 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HB3' HG22 ' A' ' 69' ' ' VAL . 25.3 ttpt -118.48 116.3 26.39 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.942 -175.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.48 118.56 25.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.738 -174.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 40' ' ' PRO . 86.4 mt -119.29 148.1 43.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.409 177.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.471 ' HB2' HD23 ' A' ' 41' ' ' LEU . 42.1 t -77.86 126.41 84.11 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -56.92 -34.24 96.79 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 122.794 2.329 . . . . 0.0 113.928 -171.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.47 ' OD2' ' HE1' ' A' ' 58' ' ' HIS . 0.7 OUTLIER -78.74 -33.53 46.57 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -172.739 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -125.33 -14.8 6.37 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -170.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.7 m170 60.24 22.57 11.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.914 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -70.05 135.4 87.3 Favored Pre-proline 0 N--CA 1.451 -0.424 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 169.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.438 ' HA ' HD22 ' A' ' 33' ' ' LEU . 31.4 Cg_exo -59.32 119.18 6.27 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.577 2.185 . . . . 0.0 111.278 176.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.471 HD23 ' HB2' ' A' ' 34' ' ' CYS . 69.9 mt -71.24 138.95 49.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.175 0.512 . . . . 0.0 111.292 -176.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.443 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 6.0 tp60 -81.65 126.1 31.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.069 177.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.4 t -80.04 99.96 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.711 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 50.0 mt -82.65 122.15 27.75 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.892 -174.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HG2' HG23 ' A' ' 50' ' ' VAL . 53.5 mttt -103.99 87.66 2.83 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 165.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.23 92.03 8.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.188 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.7 t 68.79 -69.4 0.16 Allowed 'General case' 0 CA--C 1.533 0.29 0 O-C-N 124.033 0.833 . . . . 0.0 111.042 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -146.2 8.37 1.44 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.223 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.52 139.41 49.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.78 -0.247 . . . . 0.0 110.716 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.711 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 89.3 t -114.29 113.91 45.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 -178.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -131.76 -171.95 2.74 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -177.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -124.99 132.43 53.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.128 0.49 . . . . 0.0 111.011 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.477 ' HB2' HD13 ' A' ' 44' ' ' LEU . 38.9 t80 -118.57 131.0 56.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.564 -174.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.1 t -109.87 103.13 11.88 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.804 173.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.72 102.7 6.33 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 171.9 28.64 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.445 -1.252 . . . . 0.0 109.055 -176.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.39 21.4 79.63 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.586 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.47 ' HE1' ' OD2' ' A' ' 36' ' ' ASP . 53.5 m170 -109.19 -33.19 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 0.0 110.471 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.53 -135.92 31.44 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.334 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.7 mt -68.26 121.52 16.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.966 0.412 . . . . 0.0 111.32 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.4 mm -97.72 131.02 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.58 176.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.585 ' HB2' ' HD3' ' A' ' 65' ' ' ARG . 5.7 m -55.9 127.62 31.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.314 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -65.05 -22.02 66.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.47 -173.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -85.89 -4.0 59.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.082 0.468 . . . . 0.0 111.037 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.585 ' HD3' ' HB2' ' A' ' 62' ' ' SER . 65.0 mtp180 -115.61 5.77 14.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.702 -177.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.416 HG13 HD11 ' A' ' 41' ' ' LEU . 96.9 t -74.71 136.71 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.46 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -87.77 102.43 14.66 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -91.89 110.98 22.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.24 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.466 HG22 ' HB3' ' A' ' 31' ' ' LYS . 31.5 m -104.95 -174.69 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.22 144.31 28.21 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.41 -0.805 . . . . 0.0 110.726 178.682 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.9 mp . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -117.16 144.3 44.88 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 9' ' ' GLN . 2.4 m -74.49 141.73 76.94 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 174.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -70.14 -42.52 2.95 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 121.867 1.711 . . . . 0.0 112.178 176.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -91.45 -68.08 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.332 0.587 . . . . 0.0 110.492 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.472 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 20.3 p -84.9 56.73 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.033 178.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.449 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 8.5 pt20 -48.77 100.72 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.747 1.018 . . . . 0.0 113.747 -171.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.599 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 18.1 m80 -158.42 -172.33 3.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.126 174.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.6 t -68.19 129.92 33.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.148 0.499 . . . . 0.0 112.138 -176.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 mt -110.31 135.29 51.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.444 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -108.54 105.28 14.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -91.72 102.9 15.52 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.29 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -101.54 -86.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.912 -172.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -126.24 86.32 2.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.183 0.516 . . . . 0.0 110.43 -176.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.48 -35.62 2.64 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.17 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -112.67 138.69 49.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.75 112.32 23.92 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.664 0.269 . . . . 0.0 110.343 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -107.55 133.91 51.33 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.475 0.655 . . . . 0.0 110.481 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.618 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 12.8 m -61.91 139.07 58.41 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.334 177.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -88.01 -62.27 1.53 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.089 0.471 . . . . 0.0 110.125 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.496 ' HB2' ' HB3' ' A' ' 10' ' ' HIS . 0.7 OUTLIER -63.96 -48.63 75.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.826 -175.388 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.654 ' HB2' ' OE2' ' A' ' 26' ' ' GLU . 1.2 p -88.51 -33.9 17.6 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -176.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.62 -18.47 47.47 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 120.351 -0.928 . . . . 0.0 115.271 169.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.654 ' OE2' ' HB2' ' A' ' 24' ' ' CYS . 18.5 mp0 -60.25 158.93 10.65 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 117.947 0.873 . . . . 0.0 111.103 -177.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -115.51 129.86 56.68 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 174.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.1 mt -116.43 129.52 72.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.642 -176.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -87.17 144.52 26.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.464 ' HE2' ' HB3' ' A' ' 68' ' ' PHE . 68.0 mtp -126.81 149.49 49.66 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.001 0.429 . . . . 0.0 110.988 -177.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -108.98 130.7 55.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.218 -175.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.4 119.46 31.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.832 0.349 . . . . 0.0 111.152 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.4 mt -113.13 139.8 48.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.507 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.462 ' HB2' HD23 ' A' ' 41' ' ' LEU . 49.8 t -76.36 118.78 73.84 Favored Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.72 -43.41 40.3 Favored 'Trans proline' 0 N--CA 1.477 0.546 0 C-N-CA 123.166 2.577 . . . . 0.0 114.021 -171.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.407 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 0.3 OUTLIER -64.1 -72.25 0.15 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -178.237 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -74.69 -14.67 60.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.932 0.396 . . . . 0.0 111.612 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.72 18.29 10.51 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.951 0.9 . . . . 0.0 111.976 178.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.433 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 74.4 mt-30 -105.98 157.0 35.76 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.163 176.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.433 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 21.5 Cg_endo -60.3 156.36 41.1 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.231 2.62 . . . . 0.0 113.695 -174.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 52' ' ' TYR . 89.1 mt -99.33 150.83 21.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.109 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -79.34 113.35 17.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.541 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.7 t -74.35 109.64 7.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.947 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.513 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 87.5 mt -86.29 91.65 8.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.637 -178.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -84.39 87.51 7.22 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 174.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.18 -169.93 1.84 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.781 -176.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.0 m -75.33 86.93 2.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.988 0.423 . . . . 0.0 111.204 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.76 -7.01 82.63 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.553 176.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.96 131.38 51.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.799 0.333 . . . . 0.0 110.775 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.513 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 59.7 t -123.79 115.91 46.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 177.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -133.67 -173.8 3.34 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.281 -176.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.516 ' HD2' ' HB3' ' A' ' 63' ' ' LYS . 84.9 m-85 -129.11 118.26 22.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.437 0.636 . . . . 0.0 111.551 -175.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.501 ' HB2' HD12 ' A' ' 44' ' ' LEU . 88.4 t80 -107.18 132.23 53.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.077 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 51.7 t -80.86 89.25 5.84 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' A' ' 56' ' ' HIS . 5.5 tm0? -75.8 101.51 5.12 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.497 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 2.1 t-80 164.44 -27.84 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 113.947 -1.479 . . . . 0.0 107.862 -170.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.82 51.87 0.25 Allowed Glycine 0 C--N 1.333 0.367 0 CA-C-N 115.183 -0.917 . . . . 0.0 113.119 175.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.581 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 37.2 m170 -132.13 -8.85 3.41 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 117.204 0.502 . . . . 0.0 111.42 175.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.03 -161.97 38.41 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.065 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.95 150.79 28.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 117.223 0.511 . . . . 0.0 110.377 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.0 mm -120.21 144.05 30.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.681 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.5 m -65.51 121.24 14.45 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.516 ' HB3' ' HD2' ' A' ' 52' ' ' TYR . 14.5 pttm -73.19 -5.75 41.3 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -172.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 64' ' ' LYS . 46.7 mtpt -100.63 6.57 44.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.173 0.511 . . . . 0.0 110.222 171.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 65' ' ' ARG . 13.1 ttt180 -124.0 14.45 9.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.609 0.719 . . . . 0.0 109.453 -177.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.0 p -98.3 155.07 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.338 -176.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -93.63 116.73 29.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.802 0.334 . . . . 0.0 110.112 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.464 ' HB3' ' HE2' ' A' ' 30' ' ' MET . 66.3 m-85 -97.23 130.41 44.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.021 0.439 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.1 m -121.13 179.59 2.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.573 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.5 mt -78.24 143.9 36.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.709 0.29 . . . . 0.0 110.819 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.756 -0.64 . . . . 0.0 110.0 176.544 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -117.21 156.06 28.35 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 2.9 p -93.5 114.47 63.02 Favored Pre-proline 0 C--O 1.216 -0.692 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.832 -174.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 36.8 Cg_exo -60.83 -18.54 57.1 Favored 'Trans proline' 0 N--CA 1.474 0.372 0 C-N-CA 122.896 2.398 . . . . 0.0 113.267 -175.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -83.94 -36.44 23.26 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -176.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.534 ' SG ' ' OE2' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -135.39 2.44 2.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -173.438 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 45.89 84.05 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.571 1.148 . . . . 0.0 113.692 175.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -162.28 -177.94 6.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.767 171.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.4 p -72.36 134.99 28.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.504 0.669 . . . . 0.0 112.474 -173.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.714 HD22 HD13 ' A' ' 28' ' ' ILE . 18.0 mt -104.7 50.38 0.79 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.121 174.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.56 101.5 1.01 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.966 0.412 . . . . 0.0 109.94 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.536 ' HB3' ' HA ' ' A' ' 19' ' ' ALA . 10.1 pt20 -87.16 144.87 26.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.265 -176.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.61 -52.9 8.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.53 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -169.15 101.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.063 177.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.24 -53.52 4.78 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.54 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -88.69 124.89 34.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.699 0.285 . . . . 0.0 110.697 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.536 ' HA ' ' HB3' ' A' ' 14' ' ' GLN . . . -96.45 152.82 18.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.437 178.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -142.95 140.58 31.17 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.044 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.688 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 86.7 m -69.25 92.78 0.58 Allowed 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 170.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -60.51 -48.53 81.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.766 0.317 . . . . 0.0 111.225 -172.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -71.14 -36.82 72.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.26 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.688 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 2.3 m -79.5 -49.41 12.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.216 -174.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.26 -30.27 5.87 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.709 -177.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.535 ' OE2' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -75.1 156.82 35.64 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.949 0.404 . . . . 0.0 111.633 -175.004 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -99.19 151.74 20.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.458 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.714 HD13 HD22 ' A' ' 12' ' ' LEU . 51.2 mt -137.17 120.12 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 0.0 110.223 176.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -74.88 139.63 43.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.498 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 83.7 mtp -128.13 155.17 44.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.187 177.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.546 ' HB3' ' HZ1' ' A' ' 31' ' ' LYS . 7.6 mtpm? -118.84 138.16 52.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.137 -174.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.445 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -92.71 119.1 31.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.702 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.0 mt -126.67 160.81 29.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.078 0.465 . . . . 0.0 111.251 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.473 ' HB2' HD21 ' A' ' 41' ' ' LEU . 48.3 t -77.65 124.49 86.54 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 172.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -50.81 -41.54 54.6 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.418 2.745 . . . . 0.0 113.433 -174.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.0 -78.35 0.1 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -177.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 p -72.09 -14.54 61.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -173.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.3 m80 59.05 25.05 13.39 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.297 0.57 . . . . 0.0 111.628 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -89.86 152.61 46.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.062 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -60.52 130.15 32.42 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.866 2.378 . . . . 0.0 112.062 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.496 HD13 ' HB3' ' A' ' 52' ' ' TYR . 97.5 mt -80.53 142.54 34.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.375 178.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -83.67 122.35 28.5 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.818 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.0 t -74.44 110.72 9.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.262 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.6 mt -87.43 106.53 18.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.349 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -94.77 93.46 7.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.513 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.0 -176.45 3.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.158 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.6 p -83.01 81.74 8.54 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.203 0.525 . . . . 0.0 110.763 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.74 -38.65 2.38 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.952 177.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.19 146.37 50.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.178 0.513 . . . . 0.0 111.858 -173.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.4 t -117.07 128.14 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.748 177.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -125.39 167.87 14.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.998 0.427 . . . . 0.0 110.89 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.496 ' HB3' HD13 ' A' ' 41' ' ' LEU . 45.0 m-85 -114.02 114.25 25.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.202 -175.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -101.01 130.72 47.05 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.831 -176.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.586 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 50.8 t -87.24 89.52 8.03 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -67.54 95.24 0.46 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.872 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 172.22 -40.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.446 -1.252 . . . . 0.0 108.384 -175.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.09 46.07 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.724 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.586 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 35.8 m170 -126.94 -1.15 6.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 117.006 0.403 . . . . 0.0 111.14 176.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.42 -135.39 22.22 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.241 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.4 mt -96.66 132.01 42.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.075 0.464 . . . . 0.0 111.112 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.4 mm -95.14 128.61 46.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.206 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.6 m -56.94 142.67 40.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.541 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -57.21 -38.22 73.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.985 -171.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -84.79 -9.63 57.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.936 0.398 . . . . 0.0 110.609 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -89.43 -16.35 31.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.5 -177.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.445 HG11 ' HB1' ' A' ' 32' ' ' ALA . 96.3 t -58.56 129.86 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.389 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -87.78 109.74 19.96 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -91.27 112.01 23.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.378 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.1 m -104.2 169.53 2.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.9 mt -82.06 148.72 28.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.561 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.337 177.089 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.1 tp . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -80.87 151.34 28.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.63 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.496 ' HB2' ' N ' ' A' ' 9' ' ' GLN . 55.6 m -74.73 125.62 89.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.875 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.81 -42.15 71.47 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.516 2.144 . . . . 0.0 112.105 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -92.77 -68.68 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.019 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.493 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -79.79 13.62 2.07 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -170.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.496 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 33.8 mm-40 68.57 -69.8 0.14 Allowed 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 168.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.427 ' HB3' ' H ' ' A' ' 11' ' ' VAL . 4.5 t-80 -46.3 -97.19 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -160.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.427 ' H ' ' HB3' ' A' ' 10' ' ' HIS . 99.2 t -143.52 140.75 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 O-C-N 121.75 -0.594 . . . . 0.0 111.881 -170.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.429 HD21 HD13 ' A' ' 28' ' ' ILE . 96.0 mt -106.22 163.96 12.39 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.391 173.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.625 ' HB2' ' HG2' ' A' ' 22' ' ' ARG . 36.2 t70 -139.54 108.1 5.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.099 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -103.3 130.01 50.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.234 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -136.06 -78.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.252 171.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -93.11 49.65 1.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.929 -176.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.45 -37.79 2.25 Favored Glycine 0 CA--C 1.517 0.168 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.445 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -79.99 143.13 34.39 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.767 -0.255 . . . . 0.0 110.376 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.64 107.86 16.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.486 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.425 ' CD ' ' HD1' ' A' ' 27' ' ' PHE . 46.7 mmm-85 -95.99 127.81 42.33 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.941 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.652 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 99.1 m -74.13 90.0 2.02 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.17 176.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.625 ' HG2' ' HB2' ' A' ' 13' ' ' ASP . 12.5 ptt180 -82.32 57.47 3.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.85 0.833 . . . . 0.0 109.994 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.4 m -165.28 -54.62 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.372 -1.285 . . . . 0.0 108.491 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.652 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.1 OUTLIER -93.82 -51.71 4.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.913 178.781 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.25 -22.35 3.4 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 120.349 -0.929 . . . . 0.0 114.584 173.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.571 ' OE2' ' HB2' ' A' ' 24' ' ' CYS . 9.8 mp0 -56.92 156.18 7.08 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -172.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.425 ' HD1' ' CD ' ' A' ' 20' ' ' ARG . 51.0 t80 -110.1 112.92 25.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.986 -1.007 . . . . 0.0 109.571 172.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.429 HD13 HD21 ' A' ' 12' ' ' LEU . 64.5 mt -116.05 139.77 41.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.919 0.39 . . . . 0.0 110.125 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -114.96 134.88 54.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.981 0.419 . . . . 0.0 110.19 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.493 ' HE2' ' HB3' ' A' ' 68' ' ' PHE . 74.3 mtp -113.84 119.19 36.48 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -74.52 131.95 41.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.421 ' HB3' HG21 ' A' ' 66' ' ' VAL . . . -90.16 101.47 14.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.965 175.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.4 mt -111.41 162.05 15.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.741 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.485 ' SG ' ' OD1' ' A' ' 36' ' ' ASP . 40.5 t -78.55 111.11 16.71 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.422 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 53.2 Cg_exo -56.25 -23.6 46.53 Favored 'Trans proline' 0 N--CA 1.476 0.485 0 C-N-CA 123.414 2.742 . . . . 0.0 114.117 -171.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.485 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -75.51 -24.0 56.77 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.615 0.245 . . . . 0.0 111.371 -176.884 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.8 p -135.25 -11.83 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -175.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.1 m80 59.88 23.93 12.97 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 122.827 0.451 . . . . 0.0 111.381 -176.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -96.38 150.82 37.58 Favored Pre-proline 0 C--O 1.237 0.432 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -56.96 139.75 90.5 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 123.209 2.606 . . . . 0.0 113.502 -177.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.511 HD11 ' HB3' ' A' ' 52' ' ' TYR . 52.5 mt -92.13 152.28 19.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.905 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -95.57 113.67 25.34 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 174.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.6 t -75.8 101.6 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.368 -175.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.519 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 78.0 mt -87.58 89.19 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.72 176.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -112.36 112.07 23.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.558 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.49 -49.26 7.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.678 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.5 t -162.8 -74.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.74 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.47 -18.44 11.88 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 177.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.52 138.53 33.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.378 -0.411 . . . . 0.0 110.347 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.5 p -138.44 124.75 25.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.131 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.519 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 6.1 m-20 -113.78 134.99 54.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.126 -178.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.511 ' HB3' HD11 ' A' ' 41' ' ' LEU . 82.3 m-85 -89.16 102.33 14.98 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -100.66 116.81 33.45 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.481 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 41.8 t -78.25 88.76 4.3 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.9 94.98 1.49 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.523 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 177.47 -31.3 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.146 -1.388 . . . . 0.0 108.073 -173.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.76 49.66 0.19 Allowed Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.415 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 39.3 m170 -128.97 -26.94 2.57 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.957 0.378 . . . . 0.0 111.275 177.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.13 -155.39 18.63 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.919 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' A' ' 51' ' ' ASP . 96.1 mt -91.09 137.81 32.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.08 0.467 . . . . 0.0 111.563 -176.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 46.2 mm -113.26 140.56 32.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.025 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.7 m -69.56 161.18 30.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.173 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.437 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . 62.1 tttm -76.84 -24.23 52.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.159 0.504 . . . . 0.0 110.31 -178.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -84.08 -7.2 59.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.505 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' A' ' 35' ' ' PRO . 32.8 ttm180 -118.31 24.82 10.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.42 -170.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.421 HG21 ' HB3' ' A' ' 32' ' ' ALA . 13.9 p -98.87 153.65 4.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.647 -177.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -97.81 123.88 41.95 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.493 ' HB3' ' HE2' ' A' ' 30' ' ' MET . 59.8 m-85 -107.34 112.0 24.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.773 0.321 . . . . 0.0 110.468 176.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.9 m -112.94 142.85 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.913 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.451 HD23 ' HG2' ' A' ' 30' ' ' MET . 95.2 mt -72.99 135.62 44.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.484 -0.769 . . . . 0.0 110.279 175.883 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.5 mt . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.939 0.399 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -114.4 162.73 16.27 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.581 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 6.3 t -82.85 103.78 2.87 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -176.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -45.95 -41.62 20.6 Favored 'Trans proline' 0 N--CA 1.476 0.493 0 C-N-CA 123.672 2.915 . . . . 0.0 114.839 -165.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -76.31 -45.82 30.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -172.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.3 p -104.97 -4.69 21.77 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -173.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.454 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 16.0 mm-40 46.51 73.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 123.759 0.824 . . . . 0.0 112.371 -176.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -138.11 166.25 24.59 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.768 175.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.4 131.62 30.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.325 0.583 . . . . 0.0 111.724 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.473 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 82.4 mt -97.97 101.43 12.91 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 168.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.93 109.73 2.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.817 0.342 . . . . 0.0 111.491 -176.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -77.06 95.6 4.24 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 171.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -106.02 -89.79 0.43 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.372 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -136.4 115.83 12.74 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.39 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.48 -67.65 2.77 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.3 174.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.461 ' HB3' ' HA ' ' A' ' 29' ' ' GLU . 23.8 m-70 -127.45 170.94 12.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.048 0.424 . . . . 0.0 111.031 -175.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.473 ' HB1' ' HB3' ' A' ' 12' ' ' LEU . . . -97.59 147.16 24.57 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.47 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.547 ' HA ' ' HD1' ' A' ' 27' ' ' PHE . 41.4 mtp180 -130.79 131.07 44.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.551 -177.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 t -103.93 94.89 5.65 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 23' ' ' SER . 2.8 ptp85 -68.5 88.9 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.508 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.463 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 34.0 t 171.08 -58.14 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.53 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.896 ' SG ' ' HB3' ' A' ' 26' ' ' GLU . 9.0 p -94.02 -14.32 25.98 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -169.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.48 2.53 63.83 Favored Glycine 0 C--O 1.229 -0.182 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -172.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.896 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -95.28 104.58 16.48 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.233 -0.984 . . . . 0.0 108.874 -179.627 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.547 ' HD1' ' HA ' ' A' ' 20' ' ' ARG . 61.7 m-85 -109.3 140.18 43.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.499 -174.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.482 HG23 HD23 ' A' ' 70' ' ' LEU . 43.0 mm -106.77 111.8 37.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 0.6 OUTLIER -71.63 119.2 15.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.432 0.634 . . . . 0.0 110.124 -178.424 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.508 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 46.4 mtt -85.08 113.87 21.8 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.588 174.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' A' ' 31' ' ' LYS . 4.2 ttmp? -87.07 130.56 34.44 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.81 -178.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.483 ' HB2' HG23 ' A' ' 66' ' ' VAL . . . -81.32 103.15 10.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.624 -174.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.9 mt -109.9 155.37 21.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.816 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.441 ' HB2' HD22 ' A' ' 41' ' ' LEU . 42.3 t -76.92 131.41 73.31 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.82 -34.75 66.84 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 123.124 2.549 . . . . 0.0 113.244 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.32 -82.78 0.19 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 p -64.52 -19.42 65.59 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -175.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.44 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 19.5 m170 64.35 18.05 11.11 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 177.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -80.58 146.69 61.49 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 171.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -59.16 124.48 15.71 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.721 2.281 . . . . 0.0 111.432 176.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.441 HD22 ' HB2' ' A' ' 34' ' ' CYS . 79.9 mt -66.95 142.8 57.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.073 -177.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -73.89 115.55 13.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.933 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.6 t -74.04 97.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.463 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 53' ' ' PHE . 70.2 mt -83.36 95.98 8.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.35 -179.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -90.35 92.46 8.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.056 0.455 . . . . 0.0 109.887 176.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.15 84.69 4.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.037 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 61.7 m 66.06 -78.55 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.38 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -123.99 -5.86 7.29 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.383 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.62 148.62 26.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.58 0.229 . . . . 0.0 110.777 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 66.8 t -127.74 115.36 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.773 0.321 . . . . 0.0 110.689 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -114.65 160.69 19.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.362 178.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.418 ' HB3' HD12 ' A' ' 41' ' ' LEU . 91.6 m-85 -117.35 109.36 16.72 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 176.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.485 ' HB2' HD11 ' A' ' 44' ' ' LEU . 56.3 t80 -107.07 134.88 49.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.918 0.39 . . . . 0.0 111.331 -175.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.442 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 42.8 t -94.42 93.06 7.45 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 175.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.45 95.34 0.61 Allowed 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.471 0.653 . . . . 0.0 109.745 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 176.01 -28.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.017 -1.447 . . . . 0.0 108.074 -174.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.69 33.25 1.02 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.817 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.442 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 38.4 m170 -110.19 -3.28 16.41 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.402 -0.469 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.32 -164.59 35.03 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.825 175.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.85 120.65 34.38 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 65' ' ' ARG . 70.0 mt -92.5 124.56 44.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.785 -176.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.8 m -69.36 160.89 30.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.015 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -62.96 -21.12 65.87 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -175.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -96.57 -8.42 31.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.881 0.372 . . . . 0.0 110.74 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.443 ' HB3' HG23 ' A' ' 61' ' ' ILE . 32.5 ttt180 -103.84 -6.15 21.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.225 0.536 . . . . 0.0 110.263 -172.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.483 HG23 ' HB2' ' A' ' 32' ' ' ALA . 7.2 p -87.3 151.14 3.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.602 -177.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -92.54 115.42 28.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.508 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 45.4 m-85 -93.51 123.47 36.84 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.65 178.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 30' ' ' MET . 33.4 m -110.55 160.4 9.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.005 175.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.482 HD23 HG23 ' A' ' 28' ' ' ILE . 60.3 mt -84.48 93.39 8.31 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.975 -179.04 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.714 ' HB3' ' OE1' ' A' ' 9' ' ' GLN . 35.7 m80 -103.99 160.53 14.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.154 0.502 . . . . 0.0 111.547 -174.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.468 ' HB3' ' OE1' ' A' ' 26' ' ' GLU . 4.3 m -96.53 133.89 24.09 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.461 178.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -66.19 -31.61 44.4 Favored 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 122.251 1.967 . . . . 0.0 112.455 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -97.55 -49.13 5.0 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.521 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 15.2 p -120.38 76.84 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.321 0.581 . . . . 0.0 110.361 -177.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.714 ' OE1' ' HB3' ' A' ' 4' ' ' HIS . 16.9 mm-40 -46.64 112.57 0.52 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.603 -1.181 . . . . 0.0 112.975 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.696 ' HD2' HG11 ' A' ' 11' ' ' VAL . 8.0 t60 -165.95 -78.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.077 172.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.696 HG11 ' HD2' ' A' ' 10' ' ' HIS . 7.2 p -170.4 143.32 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.171 0.51 . . . . 0.0 111.31 177.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.3 mt -105.21 140.05 38.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.099 172.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.614 ' HB2' ' HB2' ' A' ' 22' ' ' ARG . 38.7 t70 -94.28 141.88 28.05 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.414 ' HA ' HE21 ' A' ' 14' ' ' GLN . 0.1 OUTLIER -121.4 103.26 8.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.907 0.384 . . . . 0.0 111.43 -175.187 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -119.04 -35.21 3.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.444 0.64 . . . . 0.0 109.944 174.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . 0.435 ' C ' ' H ' ' A' ' 18' ' ' HIS . 31.1 m-80 -131.79 -164.1 1.41 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.054 176.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.69 30.0 2.59 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.275 174.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.435 ' H ' ' C ' ' A' ' 16' ' ' ASN . 32.3 m170 -131.97 120.72 22.85 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.01 100.28 12.96 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.219 0.533 . . . . 0.0 110.816 -175.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -99.31 129.05 45.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.215 177.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.533 ' HB2' ' H ' ' A' ' 26' ' ' GLU . 58.3 m -69.64 106.97 3.24 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.614 ' HB2' ' HB2' ' A' ' 13' ' ' ASP . 0.6 OUTLIER -81.18 47.07 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.467 0.651 . . . . 0.0 109.266 176.396 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.3 p -174.88 -73.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.868 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.487 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -69.65 -19.07 63.62 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -175.304 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.6 29.82 46.91 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.668 -0.777 . . . . 0.0 113.793 174.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.533 ' H ' ' HB2' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -103.3 151.66 22.44 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 177.473 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -115.06 125.42 53.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.004 0.43 . . . . 0.0 110.758 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 57.9 mt -132.48 147.7 31.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.484 ' HG3' ' HB1' ' A' ' 71' ' ' ALA . 10.0 pt-20 -117.13 148.38 41.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.061 0.458 . . . . 0.0 110.194 174.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.451 ' HE1' ' HB3' ' A' ' 68' ' ' PHE . 77.9 mtp -108.71 112.05 24.14 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 177.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.504 ' HE2' HD22 ' A' ' 33' ' ' LEU . 80.9 tttt -74.17 119.37 18.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.452 -171.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.45 96.33 6.03 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.927 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.504 HD22 ' HE2' ' A' ' 31' ' ' LYS . 84.7 mt -110.24 160.54 16.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.975 -178.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.464 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 45.3 t -87.74 120.36 70.91 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 172.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -56.18 -21.66 36.62 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 123.297 2.664 . . . . 0.0 114.232 -171.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -92.51 -13.79 29.33 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -176.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 34' ' ' CYS . 3.6 p -140.47 -2.22 1.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -176.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 52.2 13.32 0.27 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.386 1.074 . . . . 0.0 113.232 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -89.15 147.12 37.74 Favored Pre-proline 0 C--O 1.238 0.475 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.02 127.35 23.92 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 123.141 2.561 . . . . 0.0 112.189 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.504 HD13 ' HB3' ' A' ' 52' ' ' TYR . 88.7 mt -70.27 133.76 47.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.542 177.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -66.2 109.2 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.786 178.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.07 101.58 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.102 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' A' ' 51' ' ' ASP . 84.1 mt -77.83 86.47 4.07 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.803 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -90.49 92.22 8.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.372 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.79 20.67 16.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.628 -173.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.7 m 66.53 88.68 0.11 Allowed 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.66 0.6 . . . . 0.0 111.016 -178.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.8 -24.58 30.26 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.524 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.41 136.01 54.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.469 -0.365 . . . . 0.0 110.033 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.3 t -135.97 114.03 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 123.326 0.391 . . . . 0.0 110.386 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.442 ' HB2' HD13 ' A' ' 44' ' ' LEU . 44.9 m-20 -122.13 154.68 37.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.243 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.504 ' HB3' HD13 ' A' ' 41' ' ' LEU . 95.1 m-85 -107.79 109.84 21.5 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 177.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -106.48 133.88 50.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.923 0.392 . . . . 0.0 111.564 -174.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 44.3 t -111.63 103.18 11.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.492 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -74.77 94.87 2.8 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -179.96 23.89 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.759 -176.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.57 28.71 73.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.087 -175.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.4 m170 -111.53 -21.61 11.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.825 0.345 . . . . 0.0 110.824 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.31 -149.5 35.65 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.771 176.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 mp -86.63 130.22 34.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.032 0.444 . . . . 0.0 110.823 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.6 mm -102.11 126.1 56.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.256 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -62.79 142.75 58.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.097 177.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HA ' HG22 ' A' ' 66' ' ' VAL . 37.3 ttpt -63.01 -31.96 73.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.706 0.289 . . . . 0.0 111.747 -171.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -75.98 -13.11 60.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.103 0.477 . . . . 0.0 110.476 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -102.17 -0.07 33.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.41 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.444 HG22 ' HA ' ' A' ' 63' ' ' LYS . 89.0 t -74.34 139.82 18.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.459 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -86.11 104.73 15.97 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.451 ' HB3' ' HE1' ' A' ' 30' ' ' MET . 96.0 m-85 -96.03 109.56 21.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.24 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.9 m -100.51 150.24 5.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.177 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.4 tp -82.03 107.16 14.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.208 -175.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.484 ' HB1' ' HG3' ' A' ' 29' ' ' GLU . . . . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.638 -178.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.825 0.345 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -112.97 153.17 28.46 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.165 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.558 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 15.8 t -74.84 117.76 65.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 178.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -45.66 -33.09 9.47 Favored 'Trans proline' 0 N--CA 1.475 0.402 0 C-N-CA 123.656 2.904 . . . . 0.0 114.452 -170.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -90.87 -73.62 0.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.0 0.429 . . . . 0.0 111.392 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.9 p -85.33 2.27 44.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.445 -171.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.423 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 17.0 mm-40 62.37 -103.74 0.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.96 0.504 . . . . 0.0 111.563 -178.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 52.6 -92.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.061 0.544 . . . . 0.0 111.046 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.8 p -178.4 146.65 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.461 HD12 ' HB2' ' A' ' 19' ' ' ALA . 51.7 mt -97.7 99.82 11.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.154 174.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -89.18 91.05 8.63 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 175.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -73.16 126.79 30.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.352 -170.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -65.98 -57.58 7.47 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.972 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -173.03 -58.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.228 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.43 15.43 15.03 Favored Glycine 0 C--O 1.228 -0.251 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.355 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -136.99 139.2 41.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.558 0.218 . . . . 0.0 110.575 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.461 ' HB2' HD12 ' A' ' 12' ' ' LEU . . . -92.55 90.33 7.1 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 172.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 ttm105 -101.53 117.88 35.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.376 0.608 . . . . 0.0 111.412 -173.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.445 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 48.9 t -84.54 90.08 7.57 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 23' ' ' SER . 41.6 mtt180 -64.35 89.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.513 -176.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.43 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 31.6 t 170.47 -53.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.279 -176.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.823 ' SG ' ' HB3' ' A' ' 26' ' ' GLU . 18.6 p -93.62 -16.63 24.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.798 -173.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.04 -37.8 3.08 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -172.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.823 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 2.6 tt0 -48.13 107.01 0.11 Allowed 'General case' 0 C--O 1.239 0.502 0 C-N-CA 124.076 0.95 . . . . 0.0 111.124 172.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -126.83 135.38 50.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.368 177.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.424 HG21 ' O ' ' A' ' 29' ' ' GLU . 54.3 mt -110.37 137.65 41.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.052 -173.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.424 ' O ' HG21 ' A' ' 28' ' ' ILE . 6.4 mp0 -72.94 155.62 39.68 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 173.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.476 ' HE3' ' HB3' ' A' ' 68' ' ' PHE . 67.0 mtp -121.94 136.35 54.92 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.748 ' HE3' ' HA ' ' A' ' 71' ' ' ALA . 96.7 mttt -84.47 122.13 28.55 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.179 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.31 94.73 7.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.261 178.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 40' ' ' PRO . 69.2 mt -103.41 162.73 12.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.173 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.477 ' HB2' HD23 ' A' ' 41' ' ' LEU . 26.1 t -84.84 130.95 50.77 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 176.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -56.64 -34.9 96.76 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.887 2.391 . . . . 0.0 112.837 -175.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.417 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -81.74 -75.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.123 -177.537 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 p -74.38 -10.16 59.3 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -174.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 64.14 5.98 2.71 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -86.26 144.68 38.76 Favored Pre-proline 0 N--CA 1.446 -0.633 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HA ' HD23 ' A' ' 33' ' ' LEU . 10.0 Cg_endo -53.54 143.23 56.97 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.454 2.77 . . . . 0.0 113.342 -175.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.477 HD23 ' HB2' ' A' ' 34' ' ' CYS . 96.5 mt -91.83 137.4 32.39 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.245 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.464 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 35.9 tt0 -74.0 112.4 10.09 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 177.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.6 t -73.73 116.45 16.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.397 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.496 HD11 ' HB2' ' A' ' 53' ' ' PHE . 43.3 mt -107.04 92.77 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.329 -178.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -97.18 110.06 22.69 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.052 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.99 89.16 2.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.466 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.2 t 67.81 -71.54 0.1 Allowed 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.469 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -119.52 -44.47 0.47 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.714 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.49 156.61 22.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.91 0.386 . . . . 0.0 111.215 -178.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 7.4 p -138.38 135.0 44.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.396 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -123.57 170.81 10.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.009 0.433 . . . . 0.0 110.382 177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.404 ' HB3' HD11 ' A' ' 41' ' ' LEU . 84.3 m-85 -124.39 113.71 18.54 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.496 ' HB2' HD11 ' A' ' 44' ' ' LEU . 52.7 t80 -104.33 118.23 36.12 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.865 -171.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 36.8 t -95.94 94.39 7.58 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.685 173.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -79.27 94.68 5.49 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -177.03 29.41 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.062 -175.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.18 18.07 77.08 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.361 -176.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 60.6 m170 -109.18 -56.59 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.91 -141.97 15.83 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.327 -0.94 . . . . 0.0 112.589 175.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.6 mt -73.68 119.33 17.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.974 0.416 . . . . 0.0 111.181 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.9 mm -93.61 136.64 24.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.631 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.8 t -62.21 140.88 58.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.385 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -64.36 -19.79 65.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -89.85 -11.53 41.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.694 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -113.43 15.64 19.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.291 0.567 . . . . 0.0 110.539 -172.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.472 HG12 HD12 ' A' ' 41' ' ' LEU . 57.7 t -81.35 143.06 12.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.277 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -82.37 102.07 11.01 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.476 ' HB3' ' HE3' ' A' ' 30' ' ' MET . 84.1 m-85 -94.58 102.84 14.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.993 -176.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.412 ' CG2' ' HB2' ' A' ' 31' ' ' LYS . 34.7 m -109.11 157.98 9.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.172 176.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.51 150.09 45.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.337 -0.392 . . . . 0.0 109.997 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.748 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.444 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -110.81 157.68 19.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.877 0.37 . . . . 0.0 111.511 -174.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.4 t -74.47 127.9 86.71 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.662 177.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -63.44 -18.37 64.25 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.437 2.092 . . . . 0.0 112.187 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -105.13 -81.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.701 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.0 p -92.31 70.73 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.474 0.654 . . . . 0.0 109.406 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -32.26 112.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 113.666 -1.606 . . . . 0.0 112.331 175.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -153.61 -82.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.445 -1.252 . . . . 0.0 108.578 -177.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p -176.93 144.3 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.066 176.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.0 mt -86.33 96.28 9.93 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.922 0.392 . . . . 0.0 110.272 176.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.55 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 14.2 t70 -66.56 105.18 1.44 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.236 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.473 ' HA ' ' HA ' ' A' ' 19' ' ' ALA . 6.8 pt20 -112.14 135.77 52.38 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.074 0.464 . . . . 0.0 111.324 -174.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -148.7 146.94 28.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.529 -178.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 73.28 -44.01 0.57 Allowed 'General case' 0 N--CA 1.471 0.621 0 O-C-N 123.706 0.629 . . . . 0.0 112.109 177.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.78 1.05 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.375 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 -136.96 160.66 38.25 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.709 -0.289 . . . . 0.0 110.325 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.473 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . . . -100.47 162.81 12.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.093 0.473 . . . . 0.0 111.322 -176.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 13' ' ' ASP . 36.5 ptt180 -148.19 144.01 27.43 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.24 176.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.5 t -110.08 107.81 17.79 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 171.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 22' ' ' ARG . 50.2 mtp180 -60.37 -28.9 68.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.967 -173.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.1 t -82.93 -12.73 57.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.858 0.361 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.5 m -93.89 -68.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.394 0.616 . . . . 0.0 110.746 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.51 -19.81 11.37 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -168.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -75.91 138.08 40.8 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.249 -0.476 . . . . 0.0 110.833 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -110.21 138.31 46.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.261 173.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.3 mt -115.08 121.86 67.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.033 -172.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -71.55 123.02 21.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.875 0.369 . . . . 0.0 110.205 174.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 81.6 mtp -110.94 130.39 55.6 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 174.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -98.13 118.93 35.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.955 0.407 . . . . 0.0 110.929 -175.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.43 102.91 8.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.145 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.2 mt -100.02 163.19 12.54 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.89 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.466 ' SG ' ' OD1' ' A' ' 36' ' ' ASP . 44.0 t -91.97 115.78 65.25 Favored Pre-proline 0 C--N 1.316 -0.867 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 173.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.25 -36.42 77.82 Favored 'Trans proline' 0 N--CA 1.475 0.427 0 C-N-CA 122.988 2.459 . . . . 0.0 113.195 -173.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.466 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 1.8 p30 -83.25 2.53 35.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.829 -177.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.8 m -128.27 -35.07 2.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.819 0.343 . . . . 0.0 110.834 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.8 t60 67.55 14.01 9.45 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.099 0.959 . . . . 0.0 110.188 -174.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.426 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 76.8 mt-30 -110.24 156.11 40.75 Favored Pre-proline 0 C--O 1.237 0.419 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.759 175.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 32.1 Cg_endo -62.9 151.41 84.55 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.961 2.44 . . . . 0.0 113.543 -173.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' ' 52' ' ' TYR . 95.5 mt -90.08 157.72 17.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.667 177.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.535 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 53.6 tt0 -89.04 130.36 35.51 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.745 177.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.7 t -79.1 117.28 24.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.128 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' A' ' 53' ' ' PHE . 85.1 mt -97.4 108.81 21.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.181 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -102.95 90.81 3.89 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 171.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.38 -81.42 0.57 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.948 0.404 . . . . 0.0 110.251 -173.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.433 ' C ' ' H ' ' A' ' 49' ' ' ALA . 32.3 m -86.55 -149.43 0.14 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 174.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.43 21.24 5.35 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.267 172.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 47' ' ' CYS . . . -127.26 134.37 50.07 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -176.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.2 t -94.21 129.51 44.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.464 ' HB3' HD12 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -127.99 -177.13 4.01 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.439 -177.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.515 ' HB3' HD11 ' A' ' 41' ' ' LEU . 85.1 m-85 -131.37 126.49 35.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 111.196 -175.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.535 ' HB3' ' HB3' ' A' ' 42' ' ' GLN . 78.1 t80 -111.4 133.27 53.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.528 179.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.579 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 41.9 t -85.76 89.07 7.65 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -73.1 94.71 1.95 Allowed 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 173.79 -32.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.277 -174.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 130.93 45.2 0.16 Allowed Glycine 0 C--N 1.334 0.443 0 CA-C-N 115.461 -0.79 . . . . 0.0 113.481 176.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.579 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 30.4 m170 -131.51 -7.78 3.69 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 117.478 0.639 . . . . 0.0 111.845 177.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.52 -154.24 38.01 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.33 -0.938 . . . . 0.0 111.45 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.2 mp -75.02 140.85 43.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.922 0.391 . . . . 0.0 110.434 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.46 HG13 HD23 ' A' ' 41' ' ' LEU . 33.3 mm -101.89 139.16 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.086 0.469 . . . . 0.0 111.298 -175.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.81 147.04 52.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.302 179.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 63' ' ' LYS . 10.7 mptt -78.98 -17.15 55.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.915 0.388 . . . . 0.0 110.616 -177.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -89.45 -4.57 57.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.212 0.529 . . . . 0.0 110.035 173.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 65' ' ' ARG . 12.6 ttp180 -124.18 32.53 5.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.724 0.773 . . . . 0.0 109.668 -175.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.9 p -105.58 150.21 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.101 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -105.39 101.8 11.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.797 0.332 . . . . 0.0 110.168 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -87.26 112.31 21.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.737 0.303 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.4 m -107.4 145.71 14.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.919 0.39 . . . . 0.0 110.394 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.0 tt -86.72 122.5 30.71 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.827 -178.339 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 CA--C 1.52 -0.18 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . 0.463 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 37.8 m80 -112.71 156.79 22.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.886 0.374 . . . . 0.0 111.146 -177.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 8' ' ' CYS . 40.0 m -75.23 126.01 88.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.982 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.92 -46.31 34.59 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.747 2.298 . . . . 0.0 112.687 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -99.0 -59.73 1.67 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.38 0.61 . . . . 0.0 110.561 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.468 ' SG ' ' OE2' ' A' ' 26' ' ' GLU . 8.6 p -86.55 61.56 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.503 -175.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -29.4 101.54 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.805 1.315 . . . . 0.0 113.514 -177.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . 0.463 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 0.4 OUTLIER -169.45 -173.63 1.73 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.41 178.342 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.1 t -89.07 134.42 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.259 0.552 . . . . 0.0 111.868 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.405 HD23 HD13 ' A' ' 28' ' ' ILE . 83.3 mt -99.82 124.02 44.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.885 173.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -104.35 124.1 48.59 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -96.48 149.98 21.13 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.16 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -139.69 -72.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.859 0.361 . . . . 0.0 110.7 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -102.47 -71.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.651 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.36 9.52 0.51 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.501 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -119.25 150.48 40.02 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.507 ' HB3' ' HB ' ' A' ' 28' ' ' ILE . . . -92.54 115.54 28.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.265 0.555 . . . . 0.0 109.582 178.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 20' ' ' ARG . 16.8 mmm180 -97.4 114.59 26.44 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.165 -176.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.662 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 85.1 m -68.66 92.33 0.47 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 171.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -70.58 -24.39 62.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.619 -169.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 p -102.29 -58.63 1.84 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.217 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.662 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.2 OUTLIER -63.29 -43.73 97.05 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.701 -178.026 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.46 -45.47 1.2 Allowed Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.121 -1.038 . . . . 0.0 114.446 172.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.482 ' OE2' ' SG ' ' A' ' 21' ' ' CYS . 5.8 pm0 -58.65 162.76 3.68 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -171.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -100.0 140.77 33.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.676 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.507 ' HB ' ' HB3' ' A' ' 19' ' ' ALA . 64.8 mt -122.95 106.47 17.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.179 0.514 . . . . 0.0 110.261 174.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.53 129.5 38.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.024 175.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.448 ' SD ' ' HB3' ' A' ' 68' ' ' PHE . 42.1 mtt -109.14 134.38 51.79 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.929 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.635 ' HZ2' HD22 ' A' ' 33' ' ' LEU . 42.8 tttm -82.95 102.12 11.5 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.239 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.7 98.82 4.87 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.008 -176.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.635 HD22 ' HZ2' ' A' ' 31' ' ' LYS . 87.0 mt -114.84 164.21 14.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.943 -177.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.465 ' HB2' HD21 ' A' ' 41' ' ' LEU . 41.5 t -93.57 118.09 67.44 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 172.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -64.99 -18.96 63.62 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.913 2.409 . . . . 0.0 113.444 -170.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.416 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 21.0 p30 -86.25 -14.93 42.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -177.105 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 38' ' ' HIS . 5.6 p -139.37 -6.98 1.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -175.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 10.5 m170 70.7 0.06 3.16 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.778 0.431 . . . . 0.0 111.864 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -91.39 149.5 39.68 Favored Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 121.206 -0.197 . . . . 0.0 110.629 -176.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.07 152.44 81.27 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 123.021 2.481 . . . . 0.0 112.723 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.465 HD21 ' HB2' ' A' ' 34' ' ' CYS . 96.6 mt -92.21 132.68 36.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.623 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -76.34 128.69 35.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.971 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.9 t -81.56 111.05 17.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.3 mt -88.13 107.07 18.58 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -91.75 133.5 35.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.301 -175.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.79 14.98 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.468 176.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.1 t 70.38 -74.25 0.09 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.445 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.01 -32.61 65.91 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.895 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.12 147.12 50.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.4 p -138.56 138.6 42.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.48 ' HB3' HD21 ' A' ' 60' ' ' LEU . 2.7 m-20 -126.25 157.47 38.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.179 0.514 . . . . 0.0 111.693 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.453 ' HB3' HD12 ' A' ' 41' ' ' LEU . 53.9 m-85 -107.45 104.14 13.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.373 -0.831 . . . . 0.0 108.989 176.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -100.9 123.78 45.6 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.008 0.433 . . . . 0.0 111.273 -175.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.513 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 40.5 t -91.51 92.67 8.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.678 175.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.41 95.11 2.66 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 172.42 20.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.205 -1.362 . . . . 0.0 109.325 -173.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.75 26.27 58.97 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.107 -0.568 . . . . 0.0 113.383 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.513 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 53.1 m170 -114.38 -16.64 11.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.302 0.551 . . . . 0.0 111.255 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.68 -153.24 38.29 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.722 -0.751 . . . . 0.0 113.057 175.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.48 HD21 ' HB3' ' A' ' 51' ' ' ASP . 90.7 mt -81.61 122.57 27.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.72 0.295 . . . . 0.0 110.733 -178.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.4 HG21 ' HG2' ' A' ' 65' ' ' ARG . 45.2 mm -90.39 127.12 43.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.113 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.2 m -70.2 159.13 34.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.256 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -48.62 -53.37 18.78 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.633 -175.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -86.22 7.74 23.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.275 0.559 . . . . 0.0 111.136 -174.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.4 ' HG2' HG21 ' A' ' 61' ' ' ILE . 32.3 ttm105 -104.35 -7.02 20.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.287 0.565 . . . . 0.0 109.794 176.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.8 t -75.67 132.86 32.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.67 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -90.56 107.44 19.17 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 92.7 m-85 -96.27 104.2 16.14 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.535 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.403 HG21 ' HB3' ' A' ' 31' ' ' LYS . 27.2 m -109.4 176.54 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.123 176.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.4 mt -70.26 123.41 21.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.704 0.288 . . . . 0.0 110.617 178.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.677 -0.677 . . . . 0.0 110.355 178.579 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 C--O 1.234 0.285 0 CA-C-O 121.319 0.58 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -116.31 162.41 17.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 173.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.1 m -73.89 122.46 87.62 Favored Pre-proline 0 C--N 1.323 -0.565 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.966 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -84.66 28.55 0.57 Allowed 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 123.073 2.515 . . . . 0.0 111.509 176.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -155.2 -73.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.981 -176.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.2 p -93.7 63.24 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.13 -0.941 . . . . 0.0 108.99 176.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -35.03 102.45 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 O-C-N 124.917 1.386 . . . . 0.0 113.654 -172.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -168.36 -167.73 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.463 -1.244 . . . . 0.0 107.849 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.5 p -82.97 147.02 6.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-O 120.791 0.329 . . . . 0.0 111.407 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.1 mt -119.29 119.05 32.91 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -111.37 79.3 1.19 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.26 0.553 . . . . 0.0 111.241 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.684 ' NE2' ' H ' ' A' ' 14' ' ' GLN . 0.7 OUTLIER -84.6 128.47 34.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.697 173.579 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.1 p30 -99.67 -39.4 8.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.346 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -160.2 -73.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.798 0.332 . . . . 0.0 110.847 176.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.19 -6.52 36.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.371 -0.919 . . . . 0.0 113.251 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -137.24 145.71 43.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.817 0.341 . . . . 0.0 110.641 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.523 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . . . -103.66 126.74 51.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.499 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 20' ' ' ARG . 19.6 mtp180 -91.08 115.35 27.94 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -94.73 90.25 6.02 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.175 -175.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -70.88 152.37 43.76 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.024 -178.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.5 m 70.43 -47.08 0.63 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 124.043 0.839 . . . . 0.0 110.92 -174.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.3 m -65.75 -41.38 92.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.045 177.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.31 -2.47 81.08 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.821 174.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -97.45 175.54 6.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.092 0.472 . . . . 0.0 110.953 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -128.91 137.97 51.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.439 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.523 ' HB ' ' HB2' ' A' ' 19' ' ' ALA . 63.2 mt -114.85 107.87 23.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -72.07 155.69 40.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.153 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 62.4 mtt -123.46 144.21 49.66 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.447 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.473 ' NZ ' ' HA ' ' A' ' 71' ' ' ALA . 17.0 mtmm -88.02 130.18 35.05 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.232 176.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.43 102.27 14.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.49 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 40' ' ' PRO . 82.9 mt -110.34 153.88 24.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.735 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.466 ' SG ' ' OD1' ' A' ' 36' ' ' ASP . 49.2 t -94.14 109.7 43.78 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.74 -26.43 73.25 Favored 'Trans proline' 0 N--CA 1.475 0.4 0 C-N-CA 123.295 2.663 . . . . 0.0 114.133 -169.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.466 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 30.8 p30 -75.87 -13.51 60.27 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -177.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 p -137.44 -8.47 1.71 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 50.2 t60 56.56 25.89 10.39 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.661 0.743 . . . . 0.0 110.39 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -104.5 149.94 37.95 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.293 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HA ' HD22 ' A' ' 33' ' ' LEU . 24.3 Cg_exo -63.66 146.24 92.18 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.958 2.439 . . . . 0.0 113.09 -176.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' ' 52' ' ' TYR . 92.0 mt -86.92 141.56 28.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.627 176.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . 0.483 ' HB2' ' HB2' ' A' ' 55' ' ' GLN . 63.6 tt0 -89.34 108.57 19.71 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.243 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.7 t -76.17 99.61 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.594 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.515 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 61.2 mt -80.45 96.44 6.74 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 176.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -109.02 102.37 11.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -173.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -117.42 -175.15 2.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.631 176.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.1 m -71.52 107.36 4.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.779 0.323 . . . . 0.0 110.194 176.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.29 -44.63 2.79 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.822 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.07 117.79 34.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.008 0.432 . . . . 0.0 111.579 -174.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 88.4 t -125.9 116.79 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.659 176.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.448 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 49.0 m-20 -119.66 131.52 55.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.83 0.348 . . . . 0.0 111.604 -175.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.508 ' HB3' HD13 ' A' ' 41' ' ' LEU . 95.2 m-85 -88.53 99.3 12.19 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 171.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -100.98 133.67 45.12 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.033 -175.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.511 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 43.7 t -75.44 94.29 3.08 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 177.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.489 ' O ' ' HB2' ' A' ' 56' ' ' HIS . 9.2 tt0 -72.77 94.76 1.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.718 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 0.8 OUTLIER 169.25 -39.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -178.134 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.64 68.18 0.11 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.826 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.511 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 18.4 m170 -136.32 -53.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.023 0.439 . . . . 0.0 109.913 174.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.56 -154.29 25.7 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mp -91.97 142.23 27.77 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.7 mm -112.15 124.48 68.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.62 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.3 m -66.0 141.95 58.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.61 174.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HA ' HG22 ' A' ' 66' ' ' VAL . 34.5 pttt -58.27 -28.38 64.9 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -173.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -71.61 -19.19 62.15 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.653 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -98.73 0.29 44.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.774 0.321 . . . . 0.0 110.678 -176.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.455 HG22 ' HA ' ' A' ' 63' ' ' LYS . 77.4 t -74.57 136.34 25.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.977 0.418 . . . . 0.0 110.695 -178.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -84.7 102.15 12.76 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 175.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -95.77 116.05 28.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.942 -177.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.6 m -115.15 154.6 16.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 173.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.1 mt -68.64 146.01 53.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.871 0.367 . . . . 0.0 110.763 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.473 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.15 -0.928 . . . . 0.0 111.442 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.997 0.427 . . . . 0.0 111.567 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -113.3 156.15 23.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.604 177.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.49 ' HB2' ' HA ' ' A' ' 9' ' ' GLN . 11.5 m -77.07 154.84 82.71 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.454 -174.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -69.33 -51.55 0.41 Allowed 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.529 2.153 . . . . 0.0 111.401 172.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -98.71 -69.29 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.142 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.511 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 29.1 p -85.1 62.19 7.35 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.438 0.637 . . . . 0.0 109.706 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.49 ' HA ' ' HB2' ' A' ' 5' ' ' CYS . 72.7 mt-30 -46.08 116.61 1.28 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.412 -1.267 . . . . 0.0 112.739 -177.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -162.74 -85.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.287 171.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.7 t -143.11 130.87 18.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 120.63 0.253 . . . . 0.0 110.526 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.5 mt -113.18 113.25 25.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.568 174.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.47 ' HB2' ' HD2' ' A' ' 22' ' ' ARG . 33.7 t70 -91.0 104.21 16.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.825 177.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 18' ' ' HIS . 8.5 tt0 -116.09 125.24 52.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.499 -178.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -126.46 -69.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.188 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -97.71 62.36 1.64 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.89 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.46 -41.01 1.58 Allowed Glycine 0 CA--C 1.52 0.397 0 CA-C-N 115.747 -0.66 . . . . 0.0 113.057 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.405 ' O ' ' HA ' ' A' ' 14' ' ' GLN . 41.7 m80 -81.1 140.77 34.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.703 0.287 . . . . 0.0 111.12 -177.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.18 127.13 53.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.081 176.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -121.83 137.42 54.78 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.318 0.58 . . . . 0.0 110.222 177.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.631 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 47.9 m -79.14 102.82 8.68 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.277 176.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.47 ' HD2' ' HB2' ' A' ' 13' ' ' ASP . 9.4 ptm180 -76.43 44.63 0.35 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.704 177.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.6 t -174.36 -58.43 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.656 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.631 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -90.44 4.61 50.51 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.854 0.686 . . . . 0.0 112.854 -174.323 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.47 -39.9 2.83 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.781 -0.723 . . . . 0.0 114.222 171.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.614 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 13.0 tt0 -43.5 129.09 5.19 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.391 0.676 . . . . 0.0 111.972 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -125.35 115.78 20.86 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.9 mt -102.91 128.54 55.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.4 0.619 . . . . 0.0 112.027 -171.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -90.41 101.1 13.84 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 171.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' MET . . . . . 0.485 ' HE1' ' HB3' ' A' ' 68' ' ' PHE . 78.3 mtp -101.3 122.87 44.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -92.17 131.16 37.63 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.97 -172.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.91 106.4 13.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.038 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.6 mt -116.41 169.11 9.56 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.699 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 11.0 t -80.3 132.64 58.7 Favored Pre-proline 0 C--N 1.318 -0.761 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 177.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.424 ' HA ' ' HB2' ' A' ' 67' ' ' GLU . 17.8 Cg_endo -59.42 -38.89 81.13 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.902 2.401 . . . . 0.0 112.761 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.435 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 0.5 OUTLIER -78.12 -80.02 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.148 -177.198 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.16 -16.62 62.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -174.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.524 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 17.1 m80 62.29 15.95 8.04 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.404 ' OE1' ' HA ' ' A' ' 39' ' ' GLN . 15.7 mm-40 -84.84 149.63 54.08 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 174.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.86 133.8 60.26 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.911 2.407 . . . . 0.0 112.568 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.486 HD12 ' HB3' ' A' ' 52' ' ' TYR . 97.7 mt -84.57 151.71 24.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.456 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -83.57 111.83 19.45 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.0 t -75.78 108.67 8.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.42 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.448 HD13 ' HB2' ' A' ' 53' ' ' PHE . 59.2 mt -92.83 85.78 5.29 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.289 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -100.14 110.64 22.92 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.047 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.24 -167.68 1.41 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.109 177.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.9 p -73.31 95.44 2.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.249 0.547 . . . . 0.0 110.604 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.07 -59.51 0.38 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.651 178.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -106.89 155.39 19.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.099 0.476 . . . . 0.0 111.968 -173.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.1 p -133.32 138.62 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.075 178.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -129.92 175.0 9.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.694 0.283 . . . . 0.0 110.496 -178.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.486 ' HB3' HD12 ' A' ' 41' ' ' LEU . 88.1 m-85 -129.31 116.72 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.813 0.339 . . . . 0.0 110.27 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.448 ' HB2' HD13 ' A' ' 44' ' ' LEU . 61.4 t80 -113.67 124.14 51.59 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.276 -174.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 40.5 t -92.75 89.17 6.53 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -78.95 94.52 5.26 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -176.48 -34.65 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -174.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 142.73 42.67 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.113 -0.948 . . . . 0.0 112.433 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -136.67 -17.57 1.46 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.981 0.39 . . . . 0.0 111.128 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.04 -146.62 36.75 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.948 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.0 131.82 41.77 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.1 mm -93.03 129.03 44.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.796 -176.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 t -56.75 124.47 18.54 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.837 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -74.4 3.13 7.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.238 -171.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.826 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 9.6 mmpt? -100.22 -7.22 24.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.163 0.506 . . . . 0.0 110.09 172.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -113.1 -10.73 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.172 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.6 p -54.81 143.2 7.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.442 0 CA-C-O 121.057 0.456 . . . . 0.0 111.38 -176.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 35' ' ' PRO . 5.2 tp10 -93.02 102.01 14.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.541 -176.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.485 ' HB3' ' HE1' ' A' ' 30' ' ' MET . 36.2 m-85 -92.45 108.11 19.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.803 0.335 . . . . 0.0 110.443 176.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 m -101.45 162.38 3.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.318 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.3 mt -90.43 126.87 36.04 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.692 -0.67 . . . . 0.0 110.649 177.326 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 C--O 1.232 0.165 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -101.02 146.18 27.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.018 0.437 . . . . 0.0 110.289 -177.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 3.3 m -80.29 140.81 52.87 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.566 -176.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 8.6 Cg_exo -73.16 0.4 7.96 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.88 2.387 . . . . 0.0 112.181 177.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -131.61 -77.01 0.51 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.877 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.475 ' HB2' ' HB2' ' A' ' 24' ' ' CYS . 26.9 p -84.34 63.05 7.56 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.768 177.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 5' ' ' CYS . 91.6 mt-30 -45.61 107.09 0.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.374 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -171.99 -78.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.859 174.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.9 t -138.68 132.56 40.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.034 0.445 . . . . 0.0 111.83 -176.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.7 mt -112.89 104.05 12.04 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 167.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -101.12 114.97 29.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -177.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -82.71 117.44 22.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.587 -173.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -63.39 -60.17 3.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.069 173.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -156.12 -44.8 0.08 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.284 173.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.09 -32.38 0.12 Allowed Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 172.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.42 ' HD2' ' HA ' ' A' ' 29' ' ' GLU . 28.2 t-80 -77.05 136.5 38.67 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 172.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.87 134.0 41.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.17 0.509 . . . . 0.0 111.391 -177.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -116.53 118.96 34.1 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 175.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.709 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 20.5 m -78.86 90.9 4.71 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.309 0.576 . . . . 0.0 112.022 -177.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -56.92 119.83 6.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.366 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.8 t 75.46 -38.36 0.36 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.685 0.794 . . . . 0.0 112.707 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' CYS . . . . . 0.709 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 7.6 p -87.3 -0.33 56.58 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.456 -0.497 . . . . 0.0 111.915 -177.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.18 -68.09 3.62 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 115.302 0.881 . . . . 0.0 115.302 165.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 64.2 mt-10 -43.61 117.26 1.11 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -168.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -82.15 124.64 30.05 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 175.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.4 mt -124.18 121.17 61.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.065 0.459 . . . . 0.0 111.169 -174.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.447 ' HB3' ' HB1' ' A' ' 71' ' ' ALA . 9.2 tp10 -83.07 143.19 30.74 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.4 mtt -132.46 141.99 49.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.383 0.611 . . . . 0.0 111.365 -177.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.446 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 43.1 mmtm -96.56 123.41 40.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.286 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.68 94.63 5.75 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.151 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.4 mt -99.26 145.52 27.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.03 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.487 ' SG ' ' OD1' ' A' ' 36' ' ' ASP . 36.7 t -81.08 115.69 57.76 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 170.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -60.35 -28.8 87.51 Favored 'Trans proline' 0 N--CA 1.471 0.164 0 C-N-CA 122.843 2.362 . . . . 0.0 112.466 -171.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.487 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 1.2 p30 -89.88 1.84 55.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.782 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.2 m -129.27 -27.82 2.41 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.0 t60 69.12 8.34 6.77 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.565 0.698 . . . . 0.0 109.672 -174.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -107.23 143.08 26.44 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.309 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -57.21 152.78 43.34 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.647 2.231 . . . . 0.0 112.723 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.432 HD22 ' HB2' ' A' ' 34' ' ' CYS . 99.2 mt -89.93 150.62 22.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.67 178.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -82.18 115.72 21.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.912 176.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.4 t -74.65 110.29 8.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.982 176.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.514 HD12 ' HB3' ' A' ' 51' ' ' ASP . 87.7 mt -79.58 102.79 9.07 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 177.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -102.99 110.44 22.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.29 -176.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.465 ' HB1' ' HB1' ' A' ' 49' ' ' ALA . . . -119.02 -165.36 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.9 m -57.49 -54.28 48.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.063 0.458 . . . . 0.0 111.002 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -137.92 24.73 2.98 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.386 -0.685 . . . . 0.0 111.386 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.465 ' HB1' ' HB1' ' A' ' 46' ' ' ALA . . . -127.09 129.56 48.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.713 0.292 . . . . 0.0 110.693 -177.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 57.7 t -127.15 123.23 61.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.514 ' HB3' HD12 ' A' ' 44' ' ' LEU . 1.5 t70 -137.6 177.49 7.83 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.881 -0.327 . . . . 0.0 111.07 -176.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' TYR . . . . . 0.432 ' HB3' HD12 ' A' ' 41' ' ' LEU . 68.8 m-85 -127.93 107.66 10.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.516 -175.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -103.94 135.26 45.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.988 0.423 . . . . 0.0 110.999 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 36.5 t -93.29 94.68 8.9 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.989 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -70.67 94.81 1.04 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 174.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 171.48 -29.46 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.557 -1.201 . . . . 0.0 108.91 -177.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.27 48.21 0.32 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.879 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' HIS . . . . . 0.546 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 34.8 m170 -128.39 -2.9 5.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.972 0.386 . . . . 0.0 110.64 175.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.07 -144.02 29.32 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.281 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.0 mt -88.3 135.95 33.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.858 0.361 . . . . 0.0 110.758 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.6 mm -100.01 130.05 49.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.761 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.9 t -58.8 147.85 31.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.37 175.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -65.47 -18.11 65.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.075 0.464 . . . . 0.0 110.896 -176.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -89.55 -17.85 27.76 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -93.62 13.58 21.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.738 -178.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.44 127.41 45.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.517 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -85.81 107.6 17.72 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -91.69 108.32 19.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.649 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.446 ' CG2' ' HB2' ' A' ' 31' ' ' LYS . 34.8 m -105.1 149.5 8.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.173 175.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.2 mp -73.67 136.34 43.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.414 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.447 ' HB1' ' HB3' ' A' ' 29' ' ' GLU . . . . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.357 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 mmt . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 63.49 -167.21 0.22 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.923 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.3 mt -101.04 143.25 31.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.771 0.32 . . . . 0.0 110.241 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.463 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 36.8 m170 -113.49 157.07 22.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.487 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.4 m -74.52 142.0 77.2 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.023 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -85.66 31.12 0.48 Allowed 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.937 2.424 . . . . 0.0 111.927 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -161.07 -75.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.671 -177.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.6 p -89.13 63.03 6.46 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -46.78 101.49 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.123 -1.399 . . . . 0.0 113.435 -172.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.47 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 4.1 m-70 -162.23 -172.12 3.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.588 -1.187 . . . . 0.0 107.834 173.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.0 t -72.6 137.35 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.152 0.501 . . . . 0.0 111.717 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.5 mt -94.93 117.12 29.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.011 173.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.476 ' HB2' ' HD2' ' A' ' 22' ' ' ARG . 18.0 t70 -83.83 97.49 9.22 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -102.3 130.16 48.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.408 0.623 . . . . 0.0 112.374 -170.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -128.11 -153.73 0.59 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 174.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -66.3 101.81 0.78 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.64 0.734 . . . . 0.0 111.27 -177.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 65.02 11.45 51.41 Favored Glycine 0 C--N 1.334 0.45 0 CA-C-N 115.338 -0.846 . . . . 0.0 113.696 175.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -136.93 139.64 41.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.407 -0.466 . . . . 0.0 111.025 -175.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.41 102.77 5.25 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.693 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.529 ' HG2' ' HD1' ' A' ' 27' ' ' PHE . 18.6 mtp180 -92.78 133.35 36.13 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.258 0.551 . . . . 0.0 109.719 176.389 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.981 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 15.7 m -72.64 97.95 2.26 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.543 178.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.476 ' HD2' ' HB2' ' A' ' 13' ' ' ASP . 11.5 ptm180 -71.04 139.09 50.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 171.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.2 m 74.22 -15.9 0.57 Allowed 'General case' 0 CA--C 1.538 0.515 0 O-C-N 123.827 0.705 . . . . 0.0 111.817 -176.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.981 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 27.1 m -93.74 -53.9 3.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.139 0.495 . . . . 0.0 110.132 172.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.26 -20.92 29.83 Favored Glycine 0 C--N 1.334 0.461 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.581 -174.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.39 154.15 40.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.963 0.505 . . . . 0.0 111.753 -177.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.529 ' HD1' ' HG2' ' A' ' 20' ' ' ARG . 59.7 t80 -119.63 126.0 50.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.225 177.331 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.2 mt -127.16 138.52 54.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.066 0.46 . . . . 0.0 110.602 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -112.39 147.8 35.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.473 ' HE2' ' HB3' ' A' ' 68' ' ' PHE . 79.3 mtp -125.46 149.74 47.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.858 0.361 . . . . 0.0 110.952 -174.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.604 ' HG3' ' HB1' ' A' ' 71' ' ' ALA . 94.8 mttt -93.13 139.56 30.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.894 -177.449 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.489 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -93.98 101.3 13.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.204 176.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 mt -107.39 146.97 30.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.957 0.408 . . . . 0.0 110.85 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.499 ' HB3' ' HB2' ' A' ' 37' ' ' CYS . 53.2 t -77.13 121.9 85.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 173.011 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.75 -40.53 47.47 Favored 'Trans proline' 0 N--CA 1.475 0.413 0 C-N-CA 122.868 2.379 . . . . 0.0 113.311 -176.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -86.96 2.59 48.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.136 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.499 ' HB2' ' HB3' ' A' ' 34' ' ' CYS . 82.1 m -123.7 -42.57 2.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.714 0.292 . . . . 0.0 111.375 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.7 m80 67.58 14.38 9.54 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.481 -171.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -104.62 154.25 38.62 Favored Pre-proline 0 N--CA 1.45 -0.448 0 CA-C-N 115.254 -0.885 . . . . 0.0 108.738 172.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.42 146.82 95.61 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.797 2.332 . . . . 0.0 113.189 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.478 HD12 ' HB3' ' A' ' 52' ' ' TYR . 90.0 mt -85.12 150.75 24.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.574 176.049 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -80.95 112.84 18.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.614 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.6 100.26 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.628 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.501 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 50.8 mt -84.88 105.8 15.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.78 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -97.33 113.87 25.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.003 0.43 . . . . 0.0 111.158 -175.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.58 31.27 5.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.904 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.5 t 71.62 -70.82 0.15 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.995 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.33 -45.78 6.4 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.189 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.01 147.81 26.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.801 0.334 . . . . 0.0 110.652 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 69.7 t -129.67 122.01 54.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.809 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.501 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 42.1 m-20 -103.02 149.79 24.21 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.534 ' HB2' ' O ' ' A' ' 61' ' ' ILE . 88.0 m-85 -111.79 107.13 16.09 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 177.376 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.454 ' HB2' HD12 ' A' ' 44' ' ' LEU . 73.0 t80 -101.29 131.94 47.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.914 -174.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.599 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 28.9 t -75.53 92.74 2.92 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.29 177.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -71.69 94.6 1.37 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 169.49 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.112 -176.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.07 58.14 0.24 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.583 -0.818 . . . . 0.0 113.161 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.599 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 27.2 m170 -131.76 -27.23 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.98 0.39 . . . . 0.0 111.36 176.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.98 -154.05 16.57 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.044 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mp -95.4 139.87 31.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.935 0.398 . . . . 0.0 110.662 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.534 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 50.2 mm -120.77 129.01 76.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.819 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.0 t -81.63 159.85 23.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.902 0.382 . . . . 0.0 110.266 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -71.81 -3.7 23.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.589 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -97.64 0.06 46.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.916 0.388 . . . . 0.0 110.927 174.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.7 ttm-85 -120.82 -22.11 6.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.158 0.504 . . . . 0.0 110.4 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.489 HG21 ' HB1' ' A' ' 32' ' ' ALA . 14.9 p -64.09 154.17 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.415 -178.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -103.33 113.07 26.27 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.513 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 45.3 m-85 -92.99 121.34 34.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.765 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.6 m -113.01 163.43 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.494 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.16 122.81 21.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.149 -178.455 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.604 ' HB1' ' HG3' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.563 -0.732 . . . . 0.0 110.616 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ttt . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.72 0.295 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -109.69 155.57 21.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.097 0.475 . . . . 0.0 111.329 -178.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.528 ' HG ' HD11 ' A' ' 12' ' ' LEU . 48.6 tp -113.86 118.1 33.28 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 169.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -98.99 149.22 23.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.585 0.231 . . . . 0.0 110.557 -174.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.2 p -81.13 118.27 71.63 Favored Pre-proline 0 C--O 1.222 -0.382 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.928 -176.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 79.6 Cg_exo -45.56 -50.26 9.57 Favored 'Trans proline' 0 N--CA 1.476 0.467 0 C-N-CA 124.103 3.202 . . . . 0.0 115.096 -170.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -77.72 -51.26 10.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.154 0.502 . . . . 0.0 111.976 -172.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.66 -34.32 17.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.247 -172.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.476 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 14.9 mm-40 64.71 104.18 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.837 0.855 . . . . 0.0 113.286 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.602 ' HD1' HG11 ' A' ' 11' ' ' VAL . 47.9 t-80 -171.79 -71.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.197 170.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.602 HG11 ' HD1' ' A' ' 10' ' ' HIS . 7.2 p -169.3 148.14 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.243 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.528 HD11 ' HG ' ' A' ' 3' ' ' LEU . 46.2 mt -108.66 129.21 55.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.06 175.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -105.86 87.73 2.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.197 0.522 . . . . 0.0 109.847 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -104.3 120.71 41.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.214 178.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -153.01 -42.23 0.1 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.344 -178.052 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -73.14 -41.64 63.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.349 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.57 -18.29 1.66 Allowed Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -174.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -106.81 156.37 18.74 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 172.264 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.519 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . . . -92.02 101.26 13.8 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -93.76 115.09 27.49 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.8 -174.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.746 ' HB2' ' HG2' ' A' ' 26' ' ' GLU . 57.0 m -79.51 92.59 5.3 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 172.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -54.38 -52.66 60.97 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.382 0.426 . . . . 0.0 111.449 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.4 p -68.27 -38.56 81.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.008 0.432 . . . . 0.0 111.772 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.651 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 2.7 m -78.64 -36.51 43.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.126 -174.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.23 15.78 60.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.998 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.746 ' HG2' ' HB2' ' A' ' 21' ' ' CYS . 2.5 pt-20 -103.36 157.31 17.12 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -178.245 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -120.95 118.16 29.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.368 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.519 ' HB ' ' HB2' ' A' ' 19' ' ' ALA . 65.8 mt -106.8 134.99 46.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.204 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -80.65 145.16 31.79 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.339 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.448 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 79.8 mtp -115.11 114.59 25.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.177 0.513 . . . . 0.0 109.628 177.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.408 ' HE2' HD23 ' A' ' 33' ' ' LEU . 86.7 tttt -87.61 115.94 25.39 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.474 -175.382 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.34 103.33 3.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.855 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.408 HD23 ' HE2' ' A' ' 31' ' ' LYS . 81.4 mt -104.95 143.84 32.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.884 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.47 ' HB2' HD22 ' A' ' 41' ' ' LEU . 41.9 t -84.69 108.81 16.29 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.427 174.264 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -48.1 -37.03 29.85 Favored 'Trans proline' 0 N--CA 1.474 0.382 0 C-N-CA 123.541 2.827 . . . . 0.0 114.2 -171.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -66.07 -22.96 66.44 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -175.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 p -129.65 -15.33 3.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -177.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.2 m80 60.59 26.15 15.84 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.189 0.519 . . . . 0.0 110.814 -176.009 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.784 ' HG3' ' HD2' ' A' ' 40' ' ' PRO . 1.4 tp-100 -108.86 147.68 36.33 Favored Pre-proline 0 N--CA 1.45 -0.449 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.863 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.784 ' HD2' ' HG3' ' A' ' 39' ' ' GLN . 12.6 Cg_endo -55.81 141.81 84.49 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.197 2.598 . . . . 0.0 113.551 -176.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.519 HD12 ' HB3' ' A' ' 52' ' ' TYR . 52.0 mt -91.3 151.36 20.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.936 177.635 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -88.55 123.95 33.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.86 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.3 t -83.58 104.01 11.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.677 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.494 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 79.2 mt -89.08 90.11 8.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.078 177.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -79.24 88.82 4.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 175.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.03 74.73 8.07 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.392 -172.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.4 m 61.2 17.88 8.59 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.45 -0.796 . . . . 0.0 112.455 170.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 141.86 -31.29 2.11 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.669 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.22 163.68 13.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.1 t -133.89 112.32 16.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.472 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.494 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 45.9 m-20 -104.01 139.47 39.08 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.519 ' HB3' HD12 ' A' ' 41' ' ' LEU . 86.7 m-85 -99.69 104.28 16.01 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.165 0.507 . . . . 0.0 109.864 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -101.14 123.44 45.3 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.338 -175.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.405 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 42.2 t -89.56 89.87 8.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.352 -0.385 . . . . 0.0 109.99 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -65.2 94.52 0.16 Allowed 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.813 176.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 174.78 -22.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 1.175 . . . . 0.0 108.788 -173.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.77 50.03 0.81 Allowed Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.407 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 37.9 m170 -126.77 -11.07 6.1 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 122.694 -0.297 . . . . 0.0 110.62 176.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.15 -149.94 21.08 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.826 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.4 mt -96.45 127.82 42.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.211 0.529 . . . . 0.0 110.749 -178.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.44 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 50.6 mm -99.5 119.78 47.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.009 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.1 m -65.16 152.33 43.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.639 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -59.15 -28.32 66.46 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -175.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -79.11 -0.3 31.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.625 0.25 . . . . 0.0 111.589 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -120.98 12.4 11.19 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.3 t -92.68 126.18 45.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.347 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -93.75 102.81 14.96 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.695 -0.484 . . . . 0.0 109.695 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 98.8 m-85 -87.05 111.95 21.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.386 178.498 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.8 m -100.66 159.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.359 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.6 mt -79.97 120.79 24.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.749 0.309 . . . . 0.0 110.501 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.76 -0.638 . . . . 0.0 110.773 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 120.627 0.251 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -159.97 101.24 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -175.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.7 155.32 18.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.972 0.415 . . . . 0.0 111.353 -172.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -128.18 160.29 32.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.233 177.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 2.0 m -74.53 132.15 78.89 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.346 178.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 43.8 Cg_exo -56.44 -49.96 13.4 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.742 2.295 . . . . 0.0 112.58 -178.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -96.13 -61.67 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.025 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.2 p -81.89 60.8 4.92 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -36.63 113.69 0.25 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.573 -1.194 . . . . 0.0 112.906 -177.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -176.76 178.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.002 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.621 HG13 ' HB3' ' A' ' 22' ' ' ARG . 7.7 p -68.6 133.29 32.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.267 0.556 . . . . 0.0 111.696 -179.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 21' ' ' CYS . 7.7 mt -119.25 93.94 4.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.269 174.102 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -98.95 144.18 28.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.355 0.598 . . . . 0.0 110.771 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -115.23 126.38 54.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.581 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -109.97 -58.17 2.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.23 0.538 . . . . 0.0 110.527 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -133.43 -151.65 0.45 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.213 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.1 -21.37 52.98 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.701 176.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -98.48 115.53 28.74 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 174.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.91 132.31 36.58 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -91.42 116.51 28.9 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.301 -174.492 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.443 ' HA ' HD21 ' A' ' 12' ' ' LEU . 11.0 t -79.29 89.66 4.94 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 173.379 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.621 ' HB3' HG13 ' A' ' 11' ' ' VAL . 15.1 ttp85 -83.82 146.41 28.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.182 -166.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 m 72.78 -13.3 0.68 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.923 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.467 ' H ' ' C ' ' A' ' 22' ' ' ARG . 59.4 m -94.12 -24.61 17.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.815 175.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.64 -10.39 74.79 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.713 177.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -98.4 175.67 5.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.803 0.335 . . . . 0.0 110.732 -177.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -140.51 152.35 45.51 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.55 HG23 HD22 ' A' ' 70' ' ' LEU . 61.6 mt -128.27 116.15 40.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -80.56 140.91 35.56 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.461 ' HE2' ' HB3' ' A' ' 68' ' ' PHE . 34.3 mtp -101.77 137.88 39.49 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.808 0.337 . . . . 0.0 110.099 -177.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -95.18 128.04 41.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.78 -178.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.51 111.01 22.34 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.475 HD21 ' HA ' ' A' ' 40' ' ' PRO . 85.0 mt -119.39 161.57 20.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.748 178.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.469 ' HB2' HD21 ' A' ' 41' ' ' LEU . 50.8 t -99.73 114.54 65.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.525 ' HG3' ' HB2' ' A' ' 67' ' ' GLU . 52.3 Cg_exo -54.25 -28.33 51.85 Favored 'Trans proline' 0 N--CA 1.476 0.46 0 C-N-CA 123.291 2.661 . . . . 0.0 114.018 -171.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.34 -21.75 55.77 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -174.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.71 ' SG ' ' HG2' ' A' ' 39' ' ' GLN . 1.8 p -133.43 -16.55 2.37 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -176.168 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 71.12 2.23 4.15 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.609 0.764 . . . . 0.0 112.304 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.71 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 3.9 pt20 -76.06 158.51 82.1 Favored Pre-proline 0 C--O 1.238 0.495 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 174.164 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.475 ' HA ' HD21 ' A' ' 33' ' ' LEU . 22.3 Cg_exo -66.38 151.79 82.41 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.854 2.37 . . . . 0.0 112.296 177.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.512 HD13 ' HB3' ' A' ' 52' ' ' TYR . 70.7 mt -92.66 142.57 27.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.604 176.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -85.26 106.3 16.57 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.4 t -79.31 110.63 15.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.755 -175.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.52 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 38.8 mt -91.34 135.87 33.51 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.439 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -109.96 98.09 7.46 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.12 -162.14 0.88 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.735 -176.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.2 t -73.68 87.14 1.67 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.947 0.403 . . . . 0.0 110.216 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.44 8.79 81.01 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.432 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.98 138.04 53.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.957 0.408 . . . . 0.0 111.385 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 62.3 t -108.03 112.34 39.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 173.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.52 ' HB3' ' HB2' ' A' ' 44' ' ' LEU . 30.8 t0 -109.72 123.01 48.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.808 0.337 . . . . 0.0 110.356 -171.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.512 ' HB3' HD13 ' A' ' 41' ' ' LEU . 80.8 m-85 -93.03 103.74 16.02 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.005 0.431 . . . . 0.0 109.922 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -105.88 115.86 30.95 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.774 -174.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.6 t -91.19 89.59 7.41 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -78.53 94.73 5.02 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.814 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -177.49 24.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.034 -0.984 . . . . 0.0 108.43 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.97 44.37 61.78 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.69 -176.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 67.7 m170 -122.03 -65.86 1.08 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 117.077 0.438 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.02 -160.36 26.23 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.537 -0.84 . . . . 0.0 112.422 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.2 mt -91.19 140.71 29.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.057 0.456 . . . . 0.0 111.218 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.48 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 42.9 mm -114.34 130.26 68.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.16 -178.093 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.46 ' O ' HG22 ' A' ' 66' ' ' VAL . 25.8 t -83.53 161.76 21.11 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 177.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.542 ' HZ2' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -48.5 -44.92 36.37 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.267 0.627 . . . . 0.0 112.366 -176.052 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -75.16 -22.28 58.19 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -174.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -85.61 -20.1 30.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.689 0.281 . . . . 0.0 110.692 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.46 HG22 ' O ' ' A' ' 62' ' ' SER . 55.8 t -61.83 134.16 27.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 0.0 111.289 -178.143 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.525 ' HB2' ' HG3' ' A' ' 35' ' ' PRO . 34.4 tt0 -84.45 105.93 15.65 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.461 ' HB3' ' HE2' ' A' ' 30' ' ' MET . 77.7 m-85 -99.64 116.53 31.97 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.364 -177.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.8 m -108.68 166.58 4.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 172.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.55 HD22 HG23 ' A' ' 28' ' ' ILE . 78.5 mt -82.48 123.6 29.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.626 0.251 . . . . 0.0 110.887 -175.672 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.778 -0.629 . . . . 0.0 110.423 177.596 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.9 ttp . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -59.72 139.11 57.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.793 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.518 HD12 HE21 ' A' ' 14' ' ' GLN . 71.0 mt -76.98 127.18 32.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.81 -175.619 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.503 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 47.1 m80 -126.2 160.09 31.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.535 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.584 ' SG ' ' HG ' ' A' ' 12' ' ' LEU . 33.6 m -74.44 129.23 84.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.807 175.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 23.8 Cg_exo -64.71 -30.82 59.51 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.515 2.143 . . . . 0.0 112.07 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -102.7 -68.47 0.83 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.708 -178.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.0 p -87.33 62.74 7.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.689 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -36.43 107.97 0.07 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 114.222 -1.354 . . . . 0.0 113.776 -174.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.503 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 1.5 t-160 -174.89 -165.96 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 177.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.445 ' HB ' ' HG ' ' A' ' 23' ' ' SER . 73.5 t -79.58 136.51 23.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-N 118.614 0.643 . . . . 0.0 112.187 -174.419 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.584 ' HG ' ' SG ' ' A' ' 5' ' ' CYS . 6.4 mt -123.16 140.05 53.43 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.383 177.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -121.17 104.8 10.02 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 171.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.518 HE21 HD12 ' A' ' 3' ' ' LEU . 22.1 pt20 -118.51 137.84 52.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.103 -0.498 . . . . 0.0 112.024 -170.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.424 ' HB2' ' O ' ' A' ' 14' ' ' GLN . 2.3 t70 172.71 -168.17 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 175.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 p30 59.97 -46.29 0.09 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.65 1.58 . . . . 0.0 114.924 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.78 -29.28 0.54 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.256 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -136.85 139.54 41.76 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 174.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.11 124.85 51.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.891 0.377 . . . . 0.0 111.099 -175.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.0 ttt-85 -105.65 134.79 48.2 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 175.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.625 ' CB ' ' HB2' ' A' ' 24' ' ' CYS . 61.7 m -62.97 122.85 17.04 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.331 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -62.79 -50.4 71.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.642 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.445 ' HG ' ' HB ' ' A' ' 11' ' ' VAL . 0.3 OUTLIER -107.08 0.36 23.47 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -174.17 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.625 ' HB2' ' CB ' ' A' ' 21' ' ' CYS . 61.8 m -93.88 -75.83 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.282 0.563 . . . . 0.0 110.84 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 142.28 -24.1 2.37 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.839 -173.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.565 ' OE2' ' HB3' ' A' ' 24' ' ' CYS . 6.3 mp0 -64.81 143.93 57.6 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.907 0.384 . . . . 0.0 111.14 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -118.49 117.46 29.08 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 171.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.404 HG23 HD23 ' A' ' 70' ' ' LEU . 60.2 mt -118.76 116.56 51.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 -174.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -76.27 148.43 37.58 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.3 mtt -109.27 138.12 46.1 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.033 0.444 . . . . 0.0 110.697 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -86.74 110.27 19.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.81 105.42 7.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.724 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.0 mt -113.74 149.25 35.09 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.677 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.487 ' HB2' HD23 ' A' ' 41' ' ' LEU . 42.0 t -82.75 122.84 78.54 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 171.016 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.53 -32.67 44.64 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.875 2.383 . . . . 0.0 113.251 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -10.14 48.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.453 -175.312 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 36.4 m -114.57 -40.81 3.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.03 0.443 . . . . 0.0 111.053 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.8 m80 61.57 22.03 12.58 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.496 -169.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -109.14 151.97 42.28 Favored Pre-proline 0 N--CA 1.445 -0.707 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.717 172.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.64 139.05 89.11 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 123.072 2.515 . . . . 0.0 113.481 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.487 HD23 ' HB2' ' A' ' 34' ' ' CYS . 84.1 mt -82.26 158.97 23.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.37 175.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -95.6 111.24 23.21 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.1 t -77.48 104.25 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.241 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.517 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 67.8 mt -93.72 126.31 38.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.181 -177.62 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -97.82 102.91 14.79 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 171.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.02 28.7 1.33 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.393 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.9 p 42.13 80.83 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 O-C-N 124.057 0.848 . . . . 0.0 111.508 -174.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.03 -59.1 0.69 Allowed Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -174.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.44 159.32 20.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.785 0.326 . . . . 0.0 110.58 176.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.4 t -117.58 124.75 73.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.517 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 26.1 m-20 -107.27 124.61 50.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.964 0.411 . . . . 0.0 111.197 -177.435 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -84.12 98.54 9.95 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -100.94 127.48 47.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.988 0.423 . . . . 0.0 111.094 -172.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.451 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 42.2 t -88.54 89.22 7.9 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 175.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -75.7 94.57 3.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.993 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -178.7 17.12 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.347 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.84 21.97 64.87 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.352 -176.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.451 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 39.0 m170 -99.09 -52.64 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 122.635 -0.332 . . . . 0.0 111.466 -177.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.96 -161.84 23.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.132 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mp -91.83 134.08 35.07 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.0 mm -95.54 136.52 26.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 m -65.28 147.2 53.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.787 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -59.53 -45.17 92.56 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -81.62 5.5 17.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.884 0.373 . . . . 0.0 111.279 -178.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -102.23 -12.04 18.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.757 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.74 130.7 35.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.193 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -86.55 107.13 17.98 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -95.37 116.18 28.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.581 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.4 167.03 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.719 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.404 HD23 HG23 ' A' ' 28' ' ' ILE . 90.3 mt -72.78 126.36 29.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.774 -177.063 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.742 -0.647 . . . . 0.0 111.047 179.607 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.772 0.32 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.553 ' HB3' HG21 ' A' ' 11' ' ' VAL . 1.8 mp0 -80.81 106.66 12.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.119 177.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.512 ' HG ' ' H ' ' A' ' 4' ' ' HIS . 31.5 tp -98.13 175.39 6.11 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 177.16 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.512 ' H ' ' HG ' ' A' ' 3' ' ' LEU . 69.5 m80 -129.79 148.53 51.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.841 0.353 . . . . 0.0 110.611 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.43 129.04 61.84 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.355 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.58 -25.57 54.8 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.312 2.008 . . . . 0.0 111.094 171.107 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -85.41 -82.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.132 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p -95.16 69.34 3.17 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.387 -176.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -37.98 103.54 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 113.749 -1.568 . . . . 0.0 112.954 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.53 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 7.8 m-70 -170.01 179.05 3.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 176.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.553 HG21 ' HB3' ' A' ' 2' ' ' GLU . 10.3 p -71.62 137.31 23.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 CA-C-O 121.665 0.745 . . . . 0.0 111.822 -177.201 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.503 ' HB2' ' HB3' ' A' ' 3' ' ' LEU . 81.3 mt -112.21 122.32 47.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.806 174.022 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -102.03 113.31 26.43 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -127.23 104.67 8.08 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.268 -173.362 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -98.09 -74.02 0.59 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.033 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -117.98 104.72 11.16 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.675 0.274 . . . . 0.0 111.507 -174.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.4 -51.15 4.52 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 114.451 0.54 . . . . 0.0 114.451 168.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -111.71 151.67 28.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.189 0.519 . . . . 0.0 112.255 -174.137 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.04 108.44 18.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.647 174.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.436 HH11 ' HD3' ' A' ' 20' ' ' ARG . 14.1 ttm-85 -98.79 130.05 45.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.234 0.54 . . . . 0.0 110.952 -178.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.538 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 91.7 m -66.94 97.87 0.52 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.889 173.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -61.93 -38.56 88.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.853 0.359 . . . . 0.0 110.848 -174.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -89.86 -43.77 10.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.248 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.538 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 3.2 m -66.1 -41.96 89.94 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.169 -174.102 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.12 0.45 58.54 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.118 -175.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -91.7 166.01 13.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.77 0.319 . . . . 0.0 110.684 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -125.18 126.87 45.92 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.521 HG21 HD22 ' A' ' 70' ' ' LEU . 60.9 mt -107.15 136.17 43.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.694 -177.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -93.36 149.87 20.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.861 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.0 mtt -102.28 159.0 15.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.342 0.592 . . . . 0.0 111.445 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.766 ' HE3' ' HA ' ' A' ' 71' ' ' ALA . 36.1 ttmt -130.47 109.6 10.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.34 -178.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.14 98.73 6.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.957 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.9 mt -111.36 147.3 35.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.191 0.519 . . . . 0.0 110.847 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.485 ' HB2' HD23 ' A' ' 41' ' ' LEU . 50.4 t -78.68 135.39 60.08 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.935 175.072 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.33 -32.3 72.55 Favored 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 122.417 2.078 . . . . 0.0 113.468 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -89.66 -17.08 29.07 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -172.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.0 p -142.15 1.86 1.46 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 38.53 33.9 0.07 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.722 1.209 . . . . 0.0 113.92 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 64.2 mt-30 -93.57 145.23 29.56 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 172.304 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 39' ' ' GLN . 45.8 Cg_exo -57.52 126.76 22.94 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 123.148 2.566 . . . . 0.0 112.784 -177.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.485 HD23 ' HB2' ' A' ' 34' ' ' CYS . 96.0 mt -78.02 139.78 39.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.613 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.517 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 9.6 tt0 -79.45 121.39 25.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.965 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.7 t -74.26 103.39 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.628 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 75.8 mt -86.49 107.75 18.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.258 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -99.68 90.08 4.35 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.9 86.64 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.194 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.5 p 45.48 36.3 2.4 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.94 0.896 . . . . 0.0 112.908 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.37 -32.13 5.35 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.355 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.94 111.37 19.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.628 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 9.5 p -106.95 125.65 62.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.24 0.543 . . . . 0.0 111.002 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -134.84 170.76 15.37 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.402 ' HB3' HD12 ' A' ' 41' ' ' LEU . 97.4 m-85 -116.25 120.55 39.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.292 0.568 . . . . 0.0 111.45 -172.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.517 ' HB3' ' HB3' ' A' ' 42' ' ' GLN . 64.2 t80 -101.22 130.88 47.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.225 -179.002 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.662 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 51.1 t -87.89 103.1 15.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.634 -178.165 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.489 ' O ' ' HB2' ' A' ' 56' ' ' HIS . 40.4 mt-30 -72.47 95.26 1.76 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.503 0.668 . . . . 0.0 110.537 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 1.0 OUTLIER 170.04 -3.66 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.318 -1.31 . . . . 0.0 109.572 -177.281 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.88 28.31 16.18 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.223 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.662 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 59.6 m170 -100.86 -8.42 22.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 110.599 177.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.32 -148.06 32.22 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.237 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.2 mt -83.47 143.66 30.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.714 0.292 . . . . 0.0 110.754 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.5 mm -111.46 135.15 51.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.04 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.3 m -58.35 142.63 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -61.13 -30.74 70.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.619 -173.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -88.92 0.05 56.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.628 0.252 . . . . 0.0 111.651 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -99.42 -14.88 18.94 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.9 t -70.15 125.48 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.233 177.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -88.56 102.14 14.64 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -82.72 100.52 10.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.855 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.447 HG21 ' HB3' ' A' ' 31' ' ' LYS . 34.1 m -100.77 176.46 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.79 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.521 HD22 HG21 ' A' ' 28' ' ' ILE . 66.4 mt -87.26 130.46 34.58 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.848 0.356 . . . . 0.0 110.185 -178.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.766 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.992 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -117.78 29.16 7.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.179 0.514 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.8 mt -75.06 148.36 39.86 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 174.24 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 33.6 m80 -127.03 155.96 42.41 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -178.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.9 m -74.72 122.19 86.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.74 -22.11 69.65 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.633 2.222 . . . . 0.0 111.942 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -105.06 -72.93 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.66 178.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.6 p -80.74 12.58 3.08 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -171.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.4 mm-40 51.71 -152.86 0.21 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 174.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.2 m170 70.24 -97.9 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.27 0.628 . . . . 0.0 111.442 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.0 p -164.98 147.79 2.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.017 0.437 . . . . 0.0 111.49 -176.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.505 HD22 HD11 ' A' ' 28' ' ' ILE . 26.1 mt -112.01 81.4 1.46 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.58 173.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.458 ' HB3' ' HE ' ' A' ' 22' ' ' ARG . 8.9 t70 -94.78 100.81 12.64 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -89.3 145.54 25.31 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.759 -169.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -67.25 -63.52 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 170.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -176.74 104.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.724 -1.126 . . . . 0.0 108.986 176.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.68 -62.45 4.51 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.73 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -77.21 117.81 19.11 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.01 105.44 17.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.604 -174.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -91.13 121.9 33.32 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 173.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.63 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 74.3 m -70.64 90.93 0.78 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 174.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.458 ' HE ' ' HB3' ' A' ' 13' ' ' ASP . 34.7 mtm180 -58.83 -59.41 5.48 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -177.596 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.8 m -71.96 -9.48 58.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -176.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.63 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 29.7 m -93.77 -50.54 5.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.242 0.544 . . . . 0.0 110.891 175.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.52 14.27 24.12 Favored Glycine 0 CA--C 1.521 0.461 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.711 -172.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -103.38 173.46 6.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.026 0.441 . . . . 0.0 111.712 -175.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -132.43 116.48 16.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.742 175.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.505 HD11 HD22 ' A' ' 12' ' ' LEU . 58.0 mt -112.96 135.1 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.18 0.514 . . . . 0.0 110.989 -179.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -94.41 145.8 24.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.185 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.2 mtt -124.78 153.46 42.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.252 0.549 . . . . 0.0 111.189 176.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.411 ' HE2' ' HA ' ' A' ' 71' ' ' ALA . 63.6 mttm -110.44 128.75 55.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.171 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.19 109.01 17.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.151 177.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 40' ' ' PRO . 67.0 mt -117.65 158.12 25.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.028 0.442 . . . . 0.0 110.995 -177.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.46 ' HB2' HD23 ' A' ' 41' ' ' LEU . 16.0 t -81.0 125.07 80.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.479 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.417 ' HG3' ' HG2' ' A' ' 65' ' ' ARG . 19.3 Cg_endo -57.03 -26.38 68.25 Favored 'Trans proline' 0 N--CA 1.476 0.46 0 C-N-CA 123.432 2.755 . . . . 0.0 114.912 -169.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.52 ' OD1' ' HE1' ' A' ' 58' ' ' HIS . 6.9 p-10 -98.92 -50.2 4.28 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -174.377 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 p -92.77 -10.7 36.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.884 0.373 . . . . 0.0 110.996 -174.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 34.2 t60 65.8 2.94 2.32 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.51 0.724 . . . . 0.0 112.044 174.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.509 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 32.8 mm-40 -69.81 146.55 95.63 Favored Pre-proline 0 C--O 1.236 0.386 0 CA-C-O 120.422 0.153 . . . . 0.0 110.773 176.233 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.455 ' HA ' HD22 ' A' ' 33' ' ' LEU . 17.0 Cg_exo -67.81 146.61 72.92 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.472 2.781 . . . . 0.0 113.055 -177.293 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.46 HD23 ' HB2' ' A' ' 34' ' ' CYS . 38.2 mt -99.42 137.93 37.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.585 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -87.85 128.59 35.34 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.33 111.64 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.012 0.434 . . . . 0.0 110.762 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.521 HD12 ' HB2' ' A' ' 53' ' ' PHE . 90.7 mt -88.49 85.88 6.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.348 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -90.76 101.84 14.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.635 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -114.1 161.71 17.41 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 175.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.0 p -74.69 79.75 2.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.511 0.672 . . . . 0.0 110.156 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 153.77 -61.52 0.38 Allowed Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.558 -177.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.29 136.18 51.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.83 0.348 . . . . 0.0 111.045 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.503 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 61.0 t -117.4 116.77 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.665 174.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -131.45 -172.09 2.76 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.693 -177.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.403 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 87.3 m-85 -121.51 131.59 54.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.942 0.401 . . . . 0.0 111.458 -178.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.521 ' HB2' HD12 ' A' ' 44' ' ' LEU . 75.2 t80 -107.17 122.32 46.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.243 178.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.523 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 45.5 t -68.05 98.9 0.81 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.564 178.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.515 ' O ' ' HB3' ' A' ' 56' ' ' HIS . 10.1 tt0 -70.78 116.02 10.6 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 173.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.515 ' HB3' ' O ' ' A' ' 55' ' ' GLN . 27.9 t60 88.43 86.1 0.02 OUTLIER 'General case' 0 C--O 1.233 0.227 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.91 88.6 0.31 Allowed Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.178 -0.919 . . . . 0.0 114.185 171.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.523 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 2.6 m80 156.29 -73.8 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.649 1.179 . . . . 0.0 111.533 164.356 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.12 -157.04 15.78 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -167.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.12 130.74 45.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.859 0.829 . . . . 0.0 111.1 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.0 mm -108.3 138.29 35.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.8 p -56.27 125.77 23.28 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.004 0.43 . . . . 0.0 110.332 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.594 ' HB2' ' HZ2' ' A' ' 63' ' ' LYS . 4.8 ttmp? -57.79 -29.28 64.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.405 -172.031 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -83.51 -9.49 58.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.012 0.434 . . . . 0.0 111.499 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.417 ' HG2' ' HG3' ' A' ' 35' ' ' PRO . 41.5 ttm180 -97.61 -15.27 20.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.024 0.44 . . . . 0.0 110.294 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.5 t -56.52 137.87 17.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.679 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -92.25 114.49 27.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.69 177.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -100.53 114.38 27.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.588 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.0 m -114.06 153.6 15.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.15 177.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.67 ' H ' HD21 ' A' ' 70' ' ' LEU . 2.3 pt? -75.41 145.14 41.81 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.411 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.488 -0.768 . . . . 0.0 110.547 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.7 ttp . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 121.299 0.571 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.99 112.25 24.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.199 178.281 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.53 125.25 26.98 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.536 ' HA ' ' HA ' ' A' ' 11' ' ' VAL . 18.7 m80 -84.52 152.74 23.72 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.91 104.14 2.21 Favored Pre-proline 0 C--N 1.332 -0.163 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.465 -173.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.535 ' HD3' ' O ' ' A' ' 4' ' ' HIS . 83.8 Cg_endo -77.97 72.82 6.0 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.246 2.631 . . . . 0.0 112.603 -172.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -173.54 -45.06 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.683 -1.144 . . . . 0.0 108.578 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.8 p -118.42 -25.52 6.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.484 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.461 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 15.5 mm-40 72.5 123.47 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.053 0.941 . . . . 0.0 112.8 177.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 174.41 -87.49 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.27 174.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.536 ' HA ' ' HA ' ' A' ' 4' ' ' HIS . 13.8 p -171.78 142.22 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.013 0.435 . . . . 0.0 111.264 179.042 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.493 HD21 ' HA ' ' A' ' 21' ' ' CYS . 82.5 mt -117.99 96.91 5.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.872 175.127 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -88.79 105.41 17.7 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.638 ' HG2' ' HB1' ' A' ' 19' ' ' ALA . 77.4 mt-30 -84.85 143.76 28.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.454 -168.184 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.8 -58.65 7.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.233 170.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -173.89 -54.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.362 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -104.37 -64.34 0.68 Allowed Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.715 177.26 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.79 158.33 22.85 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.297 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.638 ' HB1' ' HG2' ' A' ' 14' ' ' GLN . . . -129.95 170.41 13.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.089 0.471 . . . . 0.0 111.568 -175.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -150.91 144.37 24.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.479 -0.782 . . . . 0.0 108.97 176.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.555 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 56.8 m -62.68 109.33 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 174.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.5 tpt180 -62.86 -54.85 32.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.157 -172.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 m -77.89 -41.15 37.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.984 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.555 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 3.4 m -67.77 -53.22 28.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.049 0.452 . . . . 0.0 110.748 -175.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.78 -12.98 42.1 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.077 -0.582 . . . . 0.0 111.795 -174.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -65.3 152.01 44.82 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 123.038 0.535 . . . . 0.0 111.395 -177.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -96.62 112.42 24.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.666 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.2 mt -128.53 94.23 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -93.73 169.96 9.92 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 66.5 mtt -122.2 138.84 54.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.057 0.456 . . . . 0.0 111.297 -176.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -77.76 131.11 37.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.557 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.71 87.93 7.42 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 40' ' ' PRO . 72.1 mt -105.59 148.24 27.53 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.111 -175.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.471 ' HB2' HD22 ' A' ' 41' ' ' LEU . 53.2 t -76.67 124.03 87.69 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 171.687 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.11 -29.32 86.79 Favored 'Trans proline' 0 N--CA 1.474 0.382 0 C-N-CA 123.087 2.525 . . . . 0.0 113.459 -170.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.74 -36.84 50.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.712 -174.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.548 ' HB2' ' OE1' ' A' ' 39' ' ' GLN . 2.7 p -120.44 -22.36 6.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -170.025 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 44.0 m80 67.6 18.19 9.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.961 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.548 ' OE1' ' HB2' ' A' ' 37' ' ' CYS . 1.8 mp0 -78.86 139.93 58.02 Favored Pre-proline 0 C--O 1.238 0.463 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 168.292 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.435 ' HA ' HD23 ' A' ' 33' ' ' LEU . 38.5 Cg_exo -60.64 129.86 31.06 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.721 2.281 . . . . 0.0 112.04 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.491 ' HB3' ' HB3' ' A' ' 52' ' ' TYR . 95.8 mt -73.18 126.88 31.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.14 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -72.52 120.44 18.13 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.144 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.9 t -78.22 101.27 3.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.456 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' A' ' 53' ' ' PHE . 61.6 mt -80.75 99.0 8.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.696 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 32.2 mtpt -98.21 106.43 18.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.113 0.482 . . . . 0.0 111.025 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -107.29 -179.12 3.83 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.305 174.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.1 t -80.55 82.83 6.47 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.05 0.452 . . . . 0.0 110.313 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.6 -12.38 23.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.846 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.93 138.02 53.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.607 0.241 . . . . 0.0 111.254 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.446 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 58.3 t -136.39 119.52 22.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 177.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.487 ' HB3' HD21 ' A' ' 60' ' ' LEU . 6.0 m-20 -130.61 158.43 40.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.926 0.394 . . . . 0.0 111.183 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.491 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 95.6 m-85 -108.03 113.35 26.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.191 177.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.507 ' HB2' HD13 ' A' ' 44' ' ' LEU . 62.3 t80 -103.61 132.19 50.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.01 -175.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.455 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 44.0 t -101.98 99.74 9.95 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.172 178.489 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -70.43 94.97 1.0 Allowed 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.53 0.681 . . . . 0.0 110.073 176.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 176.4 22.16 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.116 -1.402 . . . . 0.0 109.118 -179.306 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.01 31.63 66.64 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.633 -176.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.455 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 49.9 m170 -113.58 -10.49 13.13 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 117.082 0.441 . . . . 0.0 110.912 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.51 -142.41 35.32 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.063 176.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 51' ' ' ASP . 96.0 mt -92.84 134.47 35.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.876 0.37 . . . . 0.0 110.922 -177.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.2 mm -107.06 120.53 58.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.263 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.4 m -61.75 147.99 44.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.272 175.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.437 ' HA ' HG23 ' A' ' 66' ' ' VAL . 19.2 pttp -70.94 0.32 7.63 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -172.029 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -82.67 -30.52 29.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.429 0.633 . . . . 0.0 109.647 171.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.425 HH11 ' HD2' ' A' ' 65' ' ' ARG . 42.2 mtm180 -102.95 13.67 33.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.875 -172.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 63' ' ' LYS . 61.7 t -87.48 128.42 40.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.737 175.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -92.5 105.1 17.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.001 0.429 . . . . 0.0 109.93 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -88.77 115.59 26.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.753 -178.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.0 m -113.54 153.45 15.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.172 177.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.03 128.37 36.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.712 0.291 . . . . 0.0 110.459 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.068 -177.449 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 2' ' ' GLU . 5.2 pt-20 -75.65 117.38 17.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.444 0.64 . . . . 0.0 111.833 -175.214 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.513 ' HB2' ' HB2' ' A' ' 12' ' ' LEU . 90.8 mt -97.7 163.85 12.65 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 167.071 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -116.49 139.22 50.7 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.499 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 7' ' ' GLN . 10.8 t -84.58 108.88 16.38 Favored Pre-proline 0 C--O 1.215 -0.738 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.147 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.51 -15.63 4.32 Favored 'Trans proline' 0 N--CA 1.48 0.709 0 C-N-CA 123.126 2.551 . . . . 0.0 113.316 -174.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . 0.484 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 7.3 tm0? -81.49 -39.57 24.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.423 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.6 p -132.51 1.71 3.75 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.878 0.37 . . . . 0.0 111.525 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 5' ' ' CYS . 87.2 mt-30 54.69 24.9 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 124.128 0.971 . . . . 0.0 112.656 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -99.87 171.81 7.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.467 175.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.49 133.86 29.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -172.627 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.513 ' HB2' ' HB2' ' A' ' 3' ' ' LEU . 97.5 mt -99.74 106.72 18.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.666 -1.152 . . . . 0.0 108.335 166.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -97.51 135.96 38.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.002 0.43 . . . . 0.0 110.841 -176.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -94.66 96.6 9.52 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.624 -176.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -73.59 -29.83 62.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.9 0.857 . . . . 0.0 109.244 172.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.472 ' C ' ' H ' ' A' ' 18' ' ' HIS . 8.3 p30 -160.74 -148.07 0.16 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.447 -1.251 . . . . 0.0 107.819 178.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.2 24.76 1.08 Allowed Glycine 0 CA--C 1.524 0.655 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.853 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.472 ' H ' ' C ' ' A' ' 16' ' ' ASN . 33.1 m170 -133.59 136.13 44.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.78 102.83 13.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.079 0.466 . . . . 0.0 109.746 176.031 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -100.92 110.65 22.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.63 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.5 t -71.72 104.17 3.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.161 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 22' ' ' ARG . 62.7 mtt85 -71.77 86.66 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.885 178.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.8 p 174.42 -66.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.983 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.0 p -93.78 -18.13 22.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.94 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.81 14.01 80.39 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.538 -0.839 . . . . 0.0 111.554 -177.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -61.11 130.3 45.63 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.423 -0.389 . . . . 0.0 110.331 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -98.54 104.88 16.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.396 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.2 mt -113.25 105.34 18.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.991 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -88.64 171.62 9.88 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.524 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 49.3 mtt -117.4 122.93 45.17 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.131 0.491 . . . . 0.0 110.778 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -88.46 119.46 28.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.562 -179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.424 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -78.01 107.53 10.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.69 -176.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 99.4 mt -113.58 157.64 21.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.257 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.624 ' SG ' HD11 ' A' ' 61' ' ' ILE . 36.8 t -84.93 115.92 63.1 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.52 -19.41 67.68 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.849 2.366 . . . . 0.0 113.795 -172.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -86.36 -36.5 19.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 3.6 p -118.86 -6.05 10.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.927 0.394 . . . . 0.0 111.485 -177.237 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 59.95 21.31 10.35 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.75 0.82 . . . . 0.0 111.844 177.026 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.479 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 78.2 mt-30 -109.33 157.15 38.03 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.479 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 16.7 Cg_endo -57.13 147.64 74.36 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.137 2.558 . . . . 0.0 113.627 -174.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.449 HD12 ' HB3' ' A' ' 52' ' ' TYR . 90.7 mt -92.81 159.79 15.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.641 177.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -93.87 109.49 21.19 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 174.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.31 101.85 3.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.987 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.422 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 85.4 mt -76.78 87.95 3.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.589 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -96.55 90.28 5.3 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.491 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.67 10.77 37.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.136 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 80.0 m 71.3 -47.1 0.65 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.727 0.811 . . . . 0.0 111.214 -177.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.69 -55.89 15.47 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.538 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.04 136.26 51.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.668 0.27 . . . . 0.0 110.669 175.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.422 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 58.1 t -109.43 109.39 28.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.863 176.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -112.93 152.5 29.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.107 0.479 . . . . 0.0 111.41 -175.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.449 ' HB3' HD12 ' A' ' 41' ' ' LEU . 88.0 m-85 -108.64 106.37 16.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.969 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -113.82 131.09 56.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.629 -174.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.476 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 41.7 t -81.76 89.66 6.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -71.54 94.72 1.32 Allowed 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 172.13 -35.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.0 -1.455 . . . . 0.0 107.404 -169.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.89 57.75 0.18 Allowed Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.795 178.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.476 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 23.7 m170 -137.16 -3.62 1.96 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 117.004 0.402 . . . . 0.0 111.282 174.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.28 -148.25 35.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.091 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mp -99.56 147.39 25.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.901 0.381 . . . . 0.0 110.31 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.624 HD11 ' SG ' ' A' ' 34' ' ' CYS . 44.4 mt -107.55 144.68 15.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.193 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.2 m -57.13 131.16 49.11 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -53.36 -39.48 64.2 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.813 -174.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -90.14 6.89 40.66 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -176.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -116.82 -5.76 11.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.942 0.401 . . . . 0.0 110.599 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.424 HG11 ' HB1' ' A' ' 32' ' ' ALA . 58.6 t -65.43 146.42 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.992 178.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -78.27 105.71 9.69 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.524 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 65.4 m-85 -100.11 110.36 22.65 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.563 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.3 m -100.93 153.69 4.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.161 175.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.9 mt -70.01 118.1 12.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.493 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.197 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.043 -178.738 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 tpp . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -144.48 98.35 3.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.406 0.622 . . . . 0.0 111.168 -175.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.403 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 96.5 mt -127.92 95.47 4.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.475 177.177 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.482 ' HB3' ' OE1' ' A' ' 9' ' ' GLN . 63.2 m80 -124.78 162.09 25.04 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.967 0.413 . . . . 0.0 110.808 -175.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 61.2 m -80.63 150.55 70.07 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.001 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -86.98 12.08 3.08 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.799 2.333 . . . . 0.0 112.022 175.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -149.12 -69.4 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.743 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.656 ' SG ' ' HB2' ' A' ' 24' ' ' CYS . 26.6 p -98.71 72.59 1.99 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.559 0.695 . . . . 0.0 109.323 -178.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.482 ' OE1' ' HB3' ' A' ' 4' ' ' HIS . 17.8 mm-40 -35.0 107.47 0.05 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 113.447 -1.706 . . . . 0.0 113.353 178.252 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.667 ' HD2' HG12 ' A' ' 11' ' ' VAL . 6.4 t60 -155.05 -79.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.445 174.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.667 HG12 ' HD2' ' A' ' 10' ' ' HIS . 11.9 p -173.72 145.62 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.585 178.776 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.46 HD22 ' HB3' ' A' ' 21' ' ' CYS . 97.8 mt -94.73 109.67 21.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.607 174.61 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.611 ' HB2' ' HB2' ' A' ' 22' ' ' ARG . 15.6 t70 -104.76 86.73 2.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.206 0.527 . . . . 0.0 109.673 -178.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.475 ' NE2' ' H ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -72.52 131.38 42.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.386 0.612 . . . . 0.0 111.047 -173.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -94.32 -58.1 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.779 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -167.91 107.14 0.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.29 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.98 -41.06 2.99 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.075 175.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.501 ' HB2' ' O ' ' A' ' 28' ' ' ILE . 14.7 p80 -124.18 169.99 11.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.574 -0.368 . . . . 0.0 110.861 -178.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.85 110.41 22.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.354 0.597 . . . . 0.0 111.208 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -99.01 102.88 14.76 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.341 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.617 ' SG ' ' HB2' ' A' ' 26' ' ' GLU . 30.2 p -68.72 114.6 7.22 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.663 -177.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.611 ' HB2' ' HB2' ' A' ' 13' ' ' ASP . 26.2 ttt180 -61.64 128.62 37.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.895 -167.318 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.2 m 74.65 -33.62 0.25 Allowed 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.961 -1.018 . . . . 0.0 113.12 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.656 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 2.0 p -94.21 4.01 54.47 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -174.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.51 -57.5 0.55 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 159.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.617 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 9.5 mt-10 -43.46 123.35 3.0 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -170.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -97.97 95.21 7.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.729 170.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.501 ' O ' ' HB2' ' A' ' 18' ' ' HIS . 76.1 mt -97.14 145.79 8.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.315 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.459 ' HA ' ' HB2' ' A' ' 18' ' ' HIS . 38.0 mt-10 -104.22 148.12 26.69 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.547 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 89.7 mmm -114.22 151.58 32.56 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.586 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.466 ' HB3' HG22 ' A' ' 69' ' ' VAL . 25.3 ttpt -118.48 116.3 26.39 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.942 -175.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.48 118.56 25.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.738 -174.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 40' ' ' PRO . 86.4 mt -119.29 148.1 43.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.409 177.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.471 ' HB2' HD23 ' A' ' 41' ' ' LEU . 42.1 t -77.86 126.41 84.11 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.648 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -56.92 -34.24 96.79 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 122.794 2.329 . . . . 0.0 113.928 -171.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.47 ' OD2' ' HE1' ' A' ' 58' ' ' HIS . 0.7 OUTLIER -78.74 -33.53 46.57 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -172.739 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -125.33 -14.8 6.37 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -170.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.7 m170 60.24 22.57 11.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.914 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -70.05 135.4 87.3 Favored Pre-proline 0 N--CA 1.451 -0.424 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 169.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.438 ' HA ' HD22 ' A' ' 33' ' ' LEU . 31.4 Cg_exo -59.32 119.18 6.27 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.577 2.185 . . . . 0.0 111.278 176.461 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.471 HD23 ' HB2' ' A' ' 34' ' ' CYS . 69.9 mt -71.24 138.95 49.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.175 0.512 . . . . 0.0 111.292 -176.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.443 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 6.0 tp60 -81.65 126.1 31.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.069 177.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.4 t -80.04 99.96 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.711 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 50.0 mt -82.65 122.15 27.75 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.892 -174.314 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.407 ' HG2' HG23 ' A' ' 50' ' ' VAL . 53.5 mttt -103.99 87.66 2.83 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 165.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.23 92.03 8.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.188 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.7 t 68.79 -69.4 0.16 Allowed 'General case' 0 CA--C 1.533 0.29 0 O-C-N 124.033 0.833 . . . . 0.0 111.042 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -146.2 8.37 1.44 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.223 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.52 139.41 49.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.78 -0.247 . . . . 0.0 110.716 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.711 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 89.3 t -114.29 113.91 45.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 -178.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -131.76 -171.95 2.74 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -177.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -124.99 132.43 53.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.128 0.49 . . . . 0.0 111.011 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.477 ' HB2' HD13 ' A' ' 44' ' ' LEU . 38.9 t80 -118.57 131.0 56.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.564 -174.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.1 t -109.87 103.13 11.88 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.804 173.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.72 102.7 6.33 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 171.9 28.64 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.445 -1.252 . . . . 0.0 109.055 -176.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.39 21.4 79.63 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.586 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.47 ' HE1' ' OD2' ' A' ' 36' ' ' ASP . 53.5 m170 -109.19 -33.19 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 0.0 110.471 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.53 -135.92 31.44 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.334 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.7 mt -68.26 121.52 16.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.966 0.412 . . . . 0.0 111.32 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.4 mm -97.72 131.02 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.58 176.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.585 ' HB2' ' HD3' ' A' ' 65' ' ' ARG . 5.7 m -55.9 127.62 31.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.314 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -65.05 -22.02 66.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.47 -173.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -85.89 -4.0 59.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.082 0.468 . . . . 0.0 111.037 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.585 ' HD3' ' HB2' ' A' ' 62' ' ' SER . 65.0 mtp180 -115.61 5.77 14.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.702 -177.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.416 HG13 HD11 ' A' ' 41' ' ' LEU . 96.9 t -74.71 136.71 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.46 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -87.77 102.43 14.66 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -91.89 110.98 22.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.24 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.466 HG22 ' HB3' ' A' ' 31' ' ' LYS . 31.5 m -104.95 -174.69 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.22 144.31 28.21 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.41 -0.805 . . . . 0.0 110.726 178.682 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.479 ' HB3' HG13 ' A' ' 11' ' ' VAL . 2.7 mp0 -89.56 137.58 32.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.882 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.9 mp -77.15 151.17 35.44 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.376 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -117.16 144.3 44.88 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.449 ' O ' ' HA ' ' A' ' 9' ' ' GLN . 2.4 m -74.49 141.73 76.94 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 174.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -70.14 -42.52 2.95 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 121.867 1.711 . . . . 0.0 112.178 176.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -91.45 -68.08 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.332 0.587 . . . . 0.0 110.492 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.427 ' C ' ' HB2' ' A' ' 5' ' ' CYS . 20.3 p -84.9 56.73 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.033 178.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.449 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 8.5 pt20 -48.77 100.72 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.747 1.018 . . . . 0.0 113.747 -171.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.599 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 18.1 m80 -158.42 -172.33 3.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.126 174.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.479 HG13 ' HB3' ' A' ' 2' ' ' GLU . 94.6 t -68.19 129.92 33.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.148 0.499 . . . . 0.0 112.138 -176.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 mt -110.31 135.29 51.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.444 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -108.54 105.28 14.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -91.72 102.9 15.52 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.29 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -101.54 -86.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.912 -172.599 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -126.24 86.32 2.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.183 0.516 . . . . 0.0 110.43 -176.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.48 -35.62 2.64 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.17 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -112.67 138.69 49.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.75 112.32 23.92 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.664 0.269 . . . . 0.0 110.343 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -107.55 133.91 51.33 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.475 0.655 . . . . 0.0 110.481 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.618 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 12.8 m -61.91 139.07 58.41 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.334 177.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -88.01 -62.27 1.53 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.089 0.471 . . . . 0.0 110.125 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.496 ' HB2' ' HB3' ' A' ' 10' ' ' HIS . 0.7 OUTLIER -63.96 -48.63 75.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.826 -175.388 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.654 ' HB2' ' OE2' ' A' ' 26' ' ' GLU . 1.2 p -88.51 -33.9 17.6 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -176.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.62 -18.47 47.47 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 120.351 -0.928 . . . . 0.0 115.271 169.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.654 ' OE2' ' HB2' ' A' ' 24' ' ' CYS . 18.5 mp0 -60.25 158.93 10.65 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 117.947 0.873 . . . . 0.0 111.103 -177.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -115.51 129.86 56.68 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 174.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.1 mt -116.43 129.52 72.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.642 -176.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -87.17 144.52 26.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.464 ' HE2' ' HB3' ' A' ' 68' ' ' PHE . 68.0 mtp -126.81 149.49 49.66 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.001 0.429 . . . . 0.0 110.988 -177.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -108.98 130.7 55.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.218 -175.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.4 119.46 31.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.832 0.349 . . . . 0.0 111.152 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.4 mt -113.13 139.8 48.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.507 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.462 ' HB2' HD23 ' A' ' 41' ' ' LEU . 49.8 t -76.36 118.78 73.84 Favored Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.72 -43.41 40.3 Favored 'Trans proline' 0 N--CA 1.477 0.546 0 C-N-CA 123.166 2.577 . . . . 0.0 114.021 -171.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -72.25 0.15 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -178.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -74.69 -14.67 60.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.932 0.396 . . . . 0.0 111.612 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.72 18.29 10.51 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.951 0.9 . . . . 0.0 111.976 178.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.433 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 74.4 mt-30 -105.98 157.0 35.76 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.163 176.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.433 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 21.5 Cg_endo -60.3 156.36 41.1 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.231 2.62 . . . . 0.0 113.695 -174.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.513 HD11 ' HB3' ' A' ' 52' ' ' TYR . 89.1 mt -99.33 150.83 21.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.109 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -79.34 113.35 17.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.541 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.7 t -74.35 109.64 7.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.947 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.513 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 87.5 mt -86.29 91.65 8.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.637 -178.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -84.39 87.51 7.22 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 174.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.18 -169.93 1.84 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.781 -176.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.0 m -75.33 86.93 2.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.988 0.423 . . . . 0.0 111.204 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.76 -7.01 82.63 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.553 176.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.96 131.38 51.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.799 0.333 . . . . 0.0 110.775 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.513 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 59.7 t -123.79 115.91 46.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 177.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -133.67 -173.8 3.34 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.281 -176.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.516 ' HD2' ' HB3' ' A' ' 63' ' ' LYS . 84.9 m-85 -129.11 118.26 22.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.437 0.636 . . . . 0.0 111.551 -175.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.501 ' HB2' HD12 ' A' ' 44' ' ' LEU . 88.4 t80 -107.18 132.23 53.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.077 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.581 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 51.7 t -80.86 89.25 5.84 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.497 ' O ' ' HB2' ' A' ' 56' ' ' HIS . 5.5 tm0? -75.8 101.51 5.12 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.497 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 2.1 t-80 164.44 -27.84 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 113.947 -1.479 . . . . 0.0 107.862 -170.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.82 51.87 0.25 Allowed Glycine 0 C--N 1.333 0.367 0 CA-C-N 115.183 -0.917 . . . . 0.0 113.119 175.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.581 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 37.2 m170 -132.13 -8.85 3.41 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 117.204 0.502 . . . . 0.0 111.42 175.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.03 -161.97 38.41 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.065 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.95 150.79 28.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 117.223 0.511 . . . . 0.0 110.377 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.0 mm -120.21 144.05 30.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.681 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.5 m -65.51 121.24 14.45 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.516 ' HB3' ' HD2' ' A' ' 52' ' ' TYR . 14.5 pttm -73.19 -5.75 41.3 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -172.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.404 ' HE2' ' HB3' ' A' ' 64' ' ' LYS . 46.7 mtpt -100.63 6.57 44.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.173 0.511 . . . . 0.0 110.222 171.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.411 HH11 ' HD2' ' A' ' 65' ' ' ARG . 13.1 ttt180 -124.0 14.45 9.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.609 0.719 . . . . 0.0 109.453 -177.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.0 p -98.3 155.07 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.338 -176.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -93.63 116.73 29.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.802 0.334 . . . . 0.0 110.112 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.464 ' HB3' ' HE2' ' A' ' 30' ' ' MET . 66.3 m-85 -97.23 130.41 44.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.021 0.439 . . . . 0.0 111.019 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.1 m -121.13 179.59 2.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.573 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.5 mt -78.24 143.9 36.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.709 0.29 . . . . 0.0 110.819 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.756 -0.64 . . . . 0.0 110.0 176.544 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.2 mtt . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -132.1 169.26 16.62 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -177.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.77 124.93 28.11 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 171.429 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -117.21 156.06 28.35 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.424 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 2.9 p -93.5 114.47 63.02 Favored Pre-proline 0 C--O 1.216 -0.692 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.832 -174.512 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 36.8 Cg_exo -60.83 -18.54 57.1 Favored 'Trans proline' 0 N--CA 1.474 0.372 0 C-N-CA 122.896 2.398 . . . . 0.0 113.267 -175.451 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -83.94 -36.44 23.26 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -176.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -135.39 2.44 2.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -173.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 45.89 84.05 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.571 1.148 . . . . 0.0 113.692 175.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -162.28 -177.94 6.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.767 171.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.4 p -72.36 134.99 28.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.504 0.669 . . . . 0.0 112.474 -173.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.714 HD22 HD13 ' A' ' 28' ' ' ILE . 18.0 mt -104.7 50.38 0.79 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.121 174.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.56 101.5 1.01 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.966 0.412 . . . . 0.0 109.94 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.536 ' HB3' ' HA ' ' A' ' 19' ' ' ALA . 10.1 pt20 -87.16 144.87 26.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.265 -176.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.61 -52.9 8.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.53 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -169.15 101.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.063 177.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.24 -53.52 4.78 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.54 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -88.69 124.89 34.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.699 0.285 . . . . 0.0 110.697 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.536 ' HA ' ' HB3' ' A' ' 14' ' ' GLN . . . -96.45 152.82 18.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.437 178.244 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -142.95 140.58 31.17 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.044 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.688 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 86.7 m -69.25 92.78 0.58 Allowed 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 170.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -60.51 -48.53 81.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.766 0.317 . . . . 0.0 111.225 -172.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -71.14 -36.82 72.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.26 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.688 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 2.3 m -79.5 -49.41 12.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.216 -174.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.26 -30.27 5.87 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.709 -177.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.1 156.82 35.64 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.949 0.404 . . . . 0.0 111.633 -175.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -99.19 151.74 20.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.458 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.714 HD13 HD22 ' A' ' 12' ' ' LEU . 51.2 mt -137.17 120.12 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 0.0 110.223 176.267 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -74.88 139.63 43.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.498 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 83.7 mtp -128.13 155.17 44.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.187 177.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.546 ' HB3' ' HZ1' ' A' ' 31' ' ' LYS . 7.6 mtpm? -118.84 138.16 52.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.137 -174.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.445 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -92.71 119.1 31.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.702 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.0 mt -126.67 160.81 29.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.078 0.465 . . . . 0.0 111.251 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.473 ' HB2' HD21 ' A' ' 41' ' ' LEU . 48.3 t -77.65 124.49 86.54 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 172.541 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -50.81 -41.54 54.6 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.418 2.745 . . . . 0.0 113.433 -174.636 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.0 -78.35 0.1 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -177.521 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 p -72.09 -14.54 61.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -173.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.3 m80 59.05 25.05 13.39 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.297 0.57 . . . . 0.0 111.628 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -89.86 152.61 46.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.062 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -60.52 130.15 32.42 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.866 2.378 . . . . 0.0 112.062 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.496 HD13 ' HB3' ' A' ' 52' ' ' TYR . 97.5 mt -80.53 142.54 34.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.375 178.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -83.67 122.35 28.5 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.818 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.0 t -74.44 110.72 9.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.262 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.6 mt -87.43 106.53 18.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.349 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -94.77 93.46 7.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.513 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.0 -176.45 3.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.158 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.6 p -83.01 81.74 8.54 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.203 0.525 . . . . 0.0 110.763 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.74 -38.65 2.38 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.952 177.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.19 146.37 50.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.178 0.513 . . . . 0.0 111.858 -173.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.4 t -117.07 128.14 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.748 177.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -125.39 167.87 14.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.998 0.427 . . . . 0.0 110.89 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.496 ' HB3' HD13 ' A' ' 41' ' ' LEU . 45.0 m-85 -114.02 114.25 25.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.202 -175.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -101.01 130.72 47.05 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.831 -176.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.586 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 50.8 t -87.24 89.52 8.03 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -67.54 95.24 0.46 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.872 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 172.22 -40.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.446 -1.252 . . . . 0.0 108.384 -175.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.09 46.07 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.724 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.586 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 35.8 m170 -126.94 -1.15 6.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 117.006 0.403 . . . . 0.0 111.14 176.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.42 -135.39 22.22 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.241 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.4 mt -96.66 132.01 42.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.075 0.464 . . . . 0.0 111.112 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.4 mm -95.14 128.61 46.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.206 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.6 m -56.94 142.67 40.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.541 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -57.21 -38.22 73.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.985 -171.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -84.79 -9.63 57.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.936 0.398 . . . . 0.0 110.609 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -89.43 -16.35 31.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.5 -177.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.445 HG11 ' HB1' ' A' ' 32' ' ' ALA . 96.3 t -58.56 129.86 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.389 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -87.78 109.74 19.96 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -91.27 112.01 23.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.378 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.1 m -104.2 169.53 2.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.9 mt -82.06 148.72 28.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.561 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.337 177.089 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mmm . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 121.161 0.505 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -117.36 81.96 1.74 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.901 -176.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.1 tp -72.81 125.04 26.6 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -80.87 151.34 28.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.63 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.496 ' HB2' ' N ' ' A' ' 9' ' ' GLN . 55.6 m -74.73 125.62 89.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.875 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.81 -42.15 71.47 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.516 2.144 . . . . 0.0 112.105 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -92.77 -68.68 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.019 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.79 13.62 2.07 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -170.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.496 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 33.8 mm-40 68.57 -69.8 0.14 Allowed 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 168.22 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.427 ' HB3' ' H ' ' A' ' 11' ' ' VAL . 4.5 t-80 -46.3 -97.19 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -160.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.427 ' H ' ' HB3' ' A' ' 10' ' ' HIS . 99.2 t -143.52 140.75 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 O-C-N 121.75 -0.594 . . . . 0.0 111.881 -170.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.429 HD21 HD13 ' A' ' 28' ' ' ILE . 96.0 mt -106.22 163.96 12.39 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.391 173.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.625 ' HB2' ' HG2' ' A' ' 22' ' ' ARG . 36.2 t70 -139.54 108.1 5.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.099 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -103.3 130.01 50.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.234 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -136.06 -78.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.252 171.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -93.11 49.65 1.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.929 -176.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.45 -37.79 2.25 Favored Glycine 0 CA--C 1.517 0.168 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.445 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -79.99 143.13 34.39 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.767 -0.255 . . . . 0.0 110.376 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.64 107.86 16.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.486 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.425 ' CD ' ' HD1' ' A' ' 27' ' ' PHE . 46.7 mmm-85 -95.99 127.81 42.33 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.941 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.652 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 99.1 m -74.13 90.0 2.02 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.17 176.165 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.625 ' HG2' ' HB2' ' A' ' 13' ' ' ASP . 12.5 ptt180 -82.32 57.47 3.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.85 0.833 . . . . 0.0 109.994 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.4 m -165.28 -54.62 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.372 -1.285 . . . . 0.0 108.491 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.652 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.1 OUTLIER -93.82 -51.71 4.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.913 178.781 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.25 -22.35 3.4 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 120.349 -0.929 . . . . 0.0 114.584 173.597 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.571 ' OE2' ' HB2' ' A' ' 24' ' ' CYS . 9.8 mp0 -56.92 156.18 7.08 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -172.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.425 ' HD1' ' CD ' ' A' ' 20' ' ' ARG . 51.0 t80 -110.1 112.92 25.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.986 -1.007 . . . . 0.0 109.571 172.353 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.429 HD13 HD21 ' A' ' 12' ' ' LEU . 64.5 mt -116.05 139.77 41.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.919 0.39 . . . . 0.0 110.125 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -114.96 134.88 54.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.981 0.419 . . . . 0.0 110.19 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.493 ' HE2' ' HB3' ' A' ' 68' ' ' PHE . 74.3 mtp -113.84 119.19 36.48 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -74.52 131.95 41.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.421 ' HB3' HG21 ' A' ' 66' ' ' VAL . . . -90.16 101.47 14.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.965 175.436 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.4 mt -111.41 162.05 15.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.741 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.46 ' HB2' HD23 ' A' ' 41' ' ' LEU . 40.5 t -78.55 111.11 16.71 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.422 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 53.2 Cg_exo -56.25 -23.6 46.53 Favored 'Trans proline' 0 N--CA 1.476 0.485 0 C-N-CA 123.414 2.742 . . . . 0.0 114.117 -171.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -24.0 56.77 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.615 0.245 . . . . 0.0 111.371 -176.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.8 p -135.25 -11.83 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -175.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.1 m80 59.88 23.93 12.97 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 122.827 0.451 . . . . 0.0 111.381 -176.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -96.38 150.82 37.58 Favored Pre-proline 0 C--O 1.237 0.432 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -56.96 139.75 90.5 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 123.209 2.606 . . . . 0.0 113.502 -177.277 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.511 HD11 ' HB3' ' A' ' 52' ' ' TYR . 52.5 mt -92.13 152.28 19.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.905 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -95.57 113.67 25.34 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 174.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.6 t -75.8 101.6 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.368 -175.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.519 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 78.0 mt -87.58 89.19 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.72 176.521 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -112.36 112.07 23.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.558 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.49 -49.26 7.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.678 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.5 t -162.8 -74.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.74 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.47 -18.44 11.88 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 177.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.52 138.53 33.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.378 -0.411 . . . . 0.0 110.347 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.5 p -138.44 124.75 25.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.131 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.519 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 6.1 m-20 -113.78 134.99 54.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.126 -178.387 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.511 ' HB3' HD11 ' A' ' 41' ' ' LEU . 82.3 m-85 -89.16 102.33 14.98 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.134 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -100.66 116.81 33.45 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.481 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.525 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 41.8 t -78.25 88.76 4.3 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.9 94.98 1.49 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.523 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 177.47 -31.3 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.146 -1.388 . . . . 0.0 108.073 -173.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.76 49.66 0.19 Allowed Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.415 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.525 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 39.3 m170 -128.97 -26.94 2.57 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.957 0.378 . . . . 0.0 111.275 177.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.13 -155.39 18.63 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.919 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.459 HD22 ' HB3' ' A' ' 51' ' ' ASP . 96.1 mt -91.09 137.81 32.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.08 0.467 . . . . 0.0 111.563 -176.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 46.2 mm -113.26 140.56 32.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.025 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.7 m -69.56 161.18 30.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.173 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.437 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . 62.1 tttm -76.84 -24.23 52.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.159 0.504 . . . . 0.0 110.31 -178.143 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -84.08 -7.2 59.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.505 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.422 ' O ' ' HG2' ' A' ' 35' ' ' PRO . 32.8 ttm180 -118.31 24.82 10.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.42 -170.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.421 HG21 ' HB3' ' A' ' 32' ' ' ALA . 13.9 p -98.87 153.65 4.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.647 -177.616 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -97.81 123.88 41.95 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.493 ' HB3' ' HE2' ' A' ' 30' ' ' MET . 59.8 m-85 -107.34 112.0 24.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.773 0.321 . . . . 0.0 110.468 176.397 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.9 m -112.94 142.85 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.913 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.451 HD23 ' HG2' ' A' ' 30' ' ' MET . 95.2 mt -72.99 135.62 44.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.484 -0.769 . . . . 0.0 110.279 175.883 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtm . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.24 112.37 1.21 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.105 0.478 . . . . 0.0 112.033 -176.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.5 mt -79.84 153.63 28.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.952 173.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -114.4 162.73 16.27 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.3 t -82.85 103.78 2.87 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -45.95 -41.62 20.6 Favored 'Trans proline' 0 N--CA 1.476 0.493 0 C-N-CA 123.672 2.915 . . . . 0.0 114.839 -165.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -76.31 -45.82 30.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -172.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.3 p -104.97 -4.69 21.77 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -173.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.454 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 16.0 mm-40 46.51 73.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 123.759 0.824 . . . . 0.0 112.371 -176.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -138.11 166.25 24.59 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.768 175.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.4 131.62 30.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.325 0.583 . . . . 0.0 111.724 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 82.4 mt -97.97 101.43 12.91 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 168.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.93 109.73 2.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.817 0.342 . . . . 0.0 111.491 -176.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -77.06 95.6 4.24 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 171.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -106.02 -89.79 0.43 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.372 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -136.4 115.83 12.74 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.39 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.48 -67.65 2.77 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.3 174.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.461 ' HB3' ' HA ' ' A' ' 29' ' ' GLU . 23.8 m-70 -127.45 170.94 12.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.048 0.424 . . . . 0.0 111.031 -175.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' HB1' ' HB3' ' A' ' 12' ' ' LEU . . . -97.59 147.16 24.57 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.47 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.547 ' HA ' ' HD1' ' A' ' 27' ' ' PHE . 41.4 mtp180 -130.79 131.07 44.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.551 -177.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 t -103.93 94.89 5.65 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' A' ' 23' ' ' SER . 2.8 ptp85 -68.5 88.9 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.508 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.463 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 34.0 t 171.08 -58.14 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.53 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.896 ' SG ' ' HB3' ' A' ' 26' ' ' GLU . 9.0 p -94.02 -14.32 25.98 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -169.007 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.48 2.53 63.83 Favored Glycine 0 C--O 1.229 -0.182 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -172.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.896 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -95.28 104.58 16.48 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.233 -0.984 . . . . 0.0 108.874 -179.627 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.547 ' HD1' ' HA ' ' A' ' 20' ' ' ARG . 61.7 m-85 -109.3 140.18 43.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.499 -174.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.482 HG23 HD23 ' A' ' 70' ' ' LEU . 43.0 mm -106.77 111.8 37.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.496 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 0.6 OUTLIER -71.63 119.2 15.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.432 0.634 . . . . 0.0 110.124 -178.424 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.508 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 46.4 mtt -85.08 113.87 21.8 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.588 174.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' A' ' 31' ' ' LYS . 4.2 ttmp? -87.07 130.56 34.44 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.81 -178.155 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.483 ' HB2' HG23 ' A' ' 66' ' ' VAL . . . -81.32 103.15 10.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.624 -174.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.9 mt -109.9 155.37 21.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.816 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.441 ' HB2' HD22 ' A' ' 41' ' ' LEU . 42.3 t -76.92 131.41 73.31 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.8 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.82 -34.75 66.84 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 123.124 2.549 . . . . 0.0 113.244 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.32 -82.78 0.19 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.529 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 p -64.52 -19.42 65.59 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -175.466 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.44 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 19.5 m170 64.35 18.05 11.11 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 177.44 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.9 mt-30 -80.58 146.69 61.49 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 171.418 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -59.16 124.48 15.71 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.721 2.281 . . . . 0.0 111.432 176.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.441 HD22 ' HB2' ' A' ' 34' ' ' CYS . 79.9 mt -66.95 142.8 57.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.073 -177.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -73.89 115.55 13.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.933 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.6 t -74.04 97.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.463 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.485 HD11 ' HB2' ' A' ' 53' ' ' PHE . 70.2 mt -83.36 95.98 8.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.35 -179.048 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -90.35 92.46 8.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.056 0.455 . . . . 0.0 109.887 176.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.15 84.69 4.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.037 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 61.7 m 66.06 -78.55 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.38 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -123.99 -5.86 7.29 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.383 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.62 148.62 26.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.58 0.229 . . . . 0.0 110.777 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 66.8 t -127.74 115.36 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.773 0.321 . . . . 0.0 110.689 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -114.65 160.69 19.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.362 178.399 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.418 ' HB3' HD12 ' A' ' 41' ' ' LEU . 91.6 m-85 -117.35 109.36 16.72 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 176.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.485 ' HB2' HD11 ' A' ' 44' ' ' LEU . 56.3 t80 -107.07 134.88 49.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.918 0.39 . . . . 0.0 111.331 -175.588 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.442 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 42.8 t -94.42 93.06 7.45 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 175.504 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.45 95.34 0.61 Allowed 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.471 0.653 . . . . 0.0 109.745 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 176.01 -28.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.017 -1.447 . . . . 0.0 108.074 -174.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.69 33.25 1.02 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.817 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.442 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 38.4 m170 -110.19 -3.28 16.41 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.402 -0.469 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.32 -164.59 35.03 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.825 175.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.85 120.65 34.38 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.443 HG23 ' HB3' ' A' ' 65' ' ' ARG . 70.0 mt -92.5 124.56 44.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.785 -176.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.8 m -69.36 160.89 30.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.015 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -62.96 -21.12 65.87 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -175.095 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -96.57 -8.42 31.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.881 0.372 . . . . 0.0 110.74 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.443 ' HB3' HG23 ' A' ' 61' ' ' ILE . 32.5 ttt180 -103.84 -6.15 21.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.225 0.536 . . . . 0.0 110.263 -172.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.483 HG23 ' HB2' ' A' ' 32' ' ' ALA . 7.2 p -87.3 151.14 3.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.602 -177.496 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -92.54 115.42 28.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.508 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 45.4 m-85 -93.51 123.47 36.84 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.65 178.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.449 ' O ' ' HA ' ' A' ' 30' ' ' MET . 33.4 m -110.55 160.4 9.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.005 175.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.482 HD23 HG23 ' A' ' 28' ' ' ILE . 60.3 mt -84.48 93.39 8.31 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.975 -179.04 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 4' ' ' HIS . 43.0 mt-10 -79.7 71.83 6.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.901 0.381 . . . . 0.0 111.594 -179.094 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.8 mt -81.27 103.76 11.27 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 174.362 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.714 ' HB3' ' OE1' ' A' ' 9' ' ' GLN . 35.7 m80 -103.99 160.53 14.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.154 0.502 . . . . 0.0 111.547 -174.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.468 ' HB3' ' OE1' ' A' ' 26' ' ' GLU . 4.3 m -96.53 133.89 24.09 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.461 178.188 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -66.19 -31.61 44.4 Favored 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 122.251 1.967 . . . . 0.0 112.455 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -97.55 -49.13 5.0 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.2 p -120.38 76.84 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.321 0.581 . . . . 0.0 110.361 -177.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.714 ' OE1' ' HB3' ' A' ' 4' ' ' HIS . 16.9 mm-40 -46.64 112.57 0.52 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.603 -1.181 . . . . 0.0 112.975 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.696 ' HD2' HG11 ' A' ' 11' ' ' VAL . 8.0 t60 -165.95 -78.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.077 172.669 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.696 HG11 ' HD2' ' A' ' 10' ' ' HIS . 7.2 p -170.4 143.32 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.171 0.51 . . . . 0.0 111.31 177.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.3 mt -105.21 140.05 38.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.099 172.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.614 ' HB2' ' HB2' ' A' ' 22' ' ' ARG . 38.7 t70 -94.28 141.88 28.05 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.414 ' HA ' HE21 ' A' ' 14' ' ' GLN . 0.1 OUTLIER -121.4 103.26 8.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.907 0.384 . . . . 0.0 111.43 -175.187 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -119.04 -35.21 3.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.444 0.64 . . . . 0.0 109.944 174.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.435 ' C ' ' H ' ' A' ' 18' ' ' HIS . 31.1 m-80 -131.79 -164.1 1.41 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.054 176.013 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.69 30.0 2.59 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.275 174.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.435 ' H ' ' C ' ' A' ' 16' ' ' ASN . 32.3 m170 -131.97 120.72 22.85 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.01 100.28 12.96 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.219 0.533 . . . . 0.0 110.816 -175.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -99.31 129.05 45.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.215 177.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.533 ' HB2' ' H ' ' A' ' 26' ' ' GLU . 58.3 m -69.64 106.97 3.24 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.614 ' HB2' ' HB2' ' A' ' 13' ' ' ASP . 0.6 OUTLIER -81.18 47.07 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.467 0.651 . . . . 0.0 109.266 176.396 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.3 p -174.88 -73.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.868 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.486 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -69.65 -19.07 63.62 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -175.304 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.6 29.82 46.91 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.668 -0.777 . . . . 0.0 113.793 174.414 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.533 ' H ' ' HB2' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -103.3 151.66 22.44 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 177.473 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -115.06 125.42 53.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.004 0.43 . . . . 0.0 110.758 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 57.9 mt -132.48 147.7 31.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.484 ' HG3' ' HB1' ' A' ' 71' ' ' ALA . 10.0 pt-20 -117.13 148.38 41.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.061 0.458 . . . . 0.0 110.194 174.498 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.451 ' HE1' ' HB3' ' A' ' 68' ' ' PHE . 77.9 mtp -108.71 112.05 24.14 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 177.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.504 ' HE2' HD22 ' A' ' 33' ' ' LEU . 80.9 tttt -74.17 119.37 18.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.452 -171.074 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.45 96.33 6.03 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.927 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.504 HD22 ' HE2' ' A' ' 31' ' ' LYS . 84.7 mt -110.24 160.54 16.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.975 -178.278 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.455 ' HB3' ' SG ' ' A' ' 37' ' ' CYS . 45.3 t -87.74 120.36 70.91 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 172.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -56.18 -21.66 36.62 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 123.297 2.664 . . . . 0.0 114.232 -171.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -92.51 -13.79 29.33 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -176.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.455 ' SG ' ' HB3' ' A' ' 34' ' ' CYS . 3.6 p -140.47 -2.22 1.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -176.447 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 52.2 13.32 0.27 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.386 1.074 . . . . 0.0 113.232 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -89.15 147.12 37.74 Favored Pre-proline 0 C--O 1.238 0.475 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 177.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -59.02 127.35 23.92 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 123.141 2.561 . . . . 0.0 112.189 179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.504 HD13 ' HB3' ' A' ' 52' ' ' TYR . 88.7 mt -70.27 133.76 47.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.542 177.601 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -66.2 109.2 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.786 178.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.07 101.58 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.102 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.442 HD13 ' HB2' ' A' ' 51' ' ' ASP . 84.1 mt -77.83 86.47 4.07 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.803 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -90.49 92.22 8.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.372 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.79 20.67 16.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.628 -173.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.7 m 66.53 88.68 0.11 Allowed 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.66 0.6 . . . . 0.0 111.016 -178.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.8 -24.58 30.26 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.524 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.41 136.01 54.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.469 -0.365 . . . . 0.0 110.033 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.3 t -135.97 114.03 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 123.326 0.391 . . . . 0.0 110.386 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.442 ' HB2' HD13 ' A' ' 44' ' ' LEU . 44.9 m-20 -122.13 154.68 37.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.243 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.504 ' HB3' HD13 ' A' ' 41' ' ' LEU . 95.1 m-85 -107.79 109.84 21.5 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 177.637 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -106.48 133.88 50.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.923 0.392 . . . . 0.0 111.564 -174.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 44.3 t -111.63 103.18 11.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.492 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -74.77 94.87 2.8 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -179.96 23.89 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.759 -176.192 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.57 28.71 73.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.087 -175.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.4 m170 -111.53 -21.61 11.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.825 0.345 . . . . 0.0 110.824 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.31 -149.5 35.65 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.771 176.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 mp -86.63 130.22 34.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.032 0.444 . . . . 0.0 110.823 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.6 mm -102.11 126.1 56.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.256 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -62.79 142.75 58.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.097 177.648 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.444 ' HA ' HG22 ' A' ' 66' ' ' VAL . 37.3 ttpt -63.01 -31.96 73.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.706 0.289 . . . . 0.0 111.747 -171.505 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -75.98 -13.11 60.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.103 0.477 . . . . 0.0 110.476 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -102.17 -0.07 33.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.41 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.444 HG22 ' HA ' ' A' ' 63' ' ' LYS . 89.0 t -74.34 139.82 18.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.459 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -86.11 104.73 15.97 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.531 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.451 ' HB3' ' HE1' ' A' ' 30' ' ' MET . 96.0 m-85 -96.03 109.56 21.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.24 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.9 m -100.51 150.24 5.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.177 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.4 tp -82.03 107.16 14.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.208 -175.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.484 ' HB1' ' HG3' ' A' ' 29' ' ' GLU . . . . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.638 -178.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.899 0.38 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.437 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -103.24 97.43 7.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.368 0.604 . . . . 0.0 110.076 177.511 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 mp -85.84 163.77 17.92 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.369 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -112.97 153.17 28.46 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.165 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.405 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 15.8 t -74.84 117.76 65.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 178.719 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -45.66 -33.09 9.47 Favored 'Trans proline' 0 N--CA 1.475 0.402 0 C-N-CA 123.656 2.904 . . . . 0.0 114.452 -170.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -90.87 -73.62 0.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.0 0.429 . . . . 0.0 111.392 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.9 p -85.33 2.27 44.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.445 -171.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.423 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 17.0 mm-40 62.37 -103.74 0.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.96 0.504 . . . . 0.0 111.563 -178.686 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 52.6 -92.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.061 0.544 . . . . 0.0 111.046 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.8 p -178.4 146.65 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.461 HD12 ' HB2' ' A' ' 19' ' ' ALA . 51.7 mt -97.7 99.82 11.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.154 174.681 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -89.18 91.05 8.63 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 175.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -73.16 126.79 30.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.352 -170.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -65.98 -57.58 7.47 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.972 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -173.03 -58.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.228 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.43 15.43 15.03 Favored Glycine 0 C--O 1.228 -0.251 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.355 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -136.99 139.2 41.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.558 0.218 . . . . 0.0 110.575 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.461 ' HB2' HD12 ' A' ' 12' ' ' LEU . . . -92.55 90.33 7.1 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 172.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 ttm105 -101.53 117.88 35.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.376 0.608 . . . . 0.0 111.412 -173.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.441 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 48.9 t -84.54 90.08 7.57 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 23' ' ' SER . 41.6 mtt180 -64.35 89.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.513 -176.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.43 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 31.6 t 170.47 -53.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.279 -176.266 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.823 ' SG ' ' HB3' ' A' ' 26' ' ' GLU . 18.6 p -93.62 -16.63 24.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.798 -173.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.04 -37.8 3.08 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -172.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.823 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 2.6 tt0 -48.13 107.01 0.11 Allowed 'General case' 0 C--O 1.239 0.502 0 C-N-CA 124.076 0.95 . . . . 0.0 111.124 172.017 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -126.83 135.38 50.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.368 177.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.424 HG21 ' O ' ' A' ' 29' ' ' GLU . 54.3 mt -110.37 137.65 41.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.052 -173.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.424 ' O ' HG21 ' A' ' 28' ' ' ILE . 6.4 mp0 -72.94 155.62 39.68 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 173.278 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.476 ' HE3' ' HB3' ' A' ' 68' ' ' PHE . 67.0 mtp -121.94 136.35 54.92 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.748 ' HE3' ' HA ' ' A' ' 71' ' ' ALA . 96.7 mttt -84.47 122.13 28.55 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.179 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.31 94.73 7.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.261 178.012 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.423 HD23 ' HA ' ' A' ' 40' ' ' PRO . 69.2 mt -103.41 162.73 12.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.173 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.477 ' HB2' HD23 ' A' ' 41' ' ' LEU . 26.1 t -84.84 130.95 50.77 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 176.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -56.64 -34.9 96.76 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.887 2.391 . . . . 0.0 112.837 -175.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.74 -75.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.123 -177.537 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 p -74.38 -10.16 59.3 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -174.421 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 64.14 5.98 2.71 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -86.26 144.68 38.76 Favored Pre-proline 0 N--CA 1.446 -0.633 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.423 ' HA ' HD23 ' A' ' 33' ' ' LEU . 10.0 Cg_endo -53.54 143.23 56.97 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.454 2.77 . . . . 0.0 113.342 -175.738 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.477 HD23 ' HB2' ' A' ' 34' ' ' CYS . 96.5 mt -91.83 137.4 32.39 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.245 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.464 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 35.9 tt0 -74.0 112.4 10.09 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 177.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.6 t -73.73 116.45 16.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.397 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.496 HD11 ' HB2' ' A' ' 53' ' ' PHE . 43.3 mt -107.04 92.77 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.329 -178.734 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -97.18 110.06 22.69 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.052 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.99 89.16 2.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.466 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.2 t 67.81 -71.54 0.1 Allowed 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.469 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -119.52 -44.47 0.47 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.714 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.49 156.61 22.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.91 0.386 . . . . 0.0 111.215 -178.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.486 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 7.4 p -138.38 135.0 44.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.396 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -123.57 170.81 10.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.009 0.433 . . . . 0.0 110.382 177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.404 ' HB3' HD11 ' A' ' 41' ' ' LEU . 84.3 m-85 -124.39 113.71 18.54 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.496 ' HB2' HD11 ' A' ' 44' ' ' LEU . 52.7 t80 -104.33 118.23 36.12 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.865 -171.494 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 36.8 t -95.94 94.39 7.58 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.685 173.459 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -79.27 94.68 5.49 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -177.03 29.41 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.062 -175.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.18 18.07 77.08 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.361 -176.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 60.6 m170 -109.18 -56.59 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.91 -141.97 15.83 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.327 -0.94 . . . . 0.0 112.589 175.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.6 mt -73.68 119.33 17.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.974 0.416 . . . . 0.0 111.181 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.9 mm -93.61 136.64 24.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.631 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.8 t -62.21 140.88 58.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.385 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -64.36 -19.79 65.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -89.85 -11.53 41.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.694 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -113.43 15.64 19.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.291 0.567 . . . . 0.0 110.539 -172.004 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.472 HG12 HD12 ' A' ' 41' ' ' LEU . 57.7 t -81.35 143.06 12.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.277 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -82.37 102.07 11.01 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.476 ' HB3' ' HE3' ' A' ' 30' ' ' MET . 84.1 m-85 -94.58 102.84 14.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.993 -176.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.412 ' CG2' ' HB2' ' A' ' 31' ' ' LYS . 34.7 m -109.11 157.98 9.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.172 176.789 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.51 150.09 45.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.337 -0.392 . . . . 0.0 109.997 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.748 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.444 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -84.71 107.39 16.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.971 -175.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.7 mt -93.54 144.25 25.54 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 173.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -110.81 157.68 19.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.877 0.37 . . . . 0.0 111.511 -174.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.4 t -74.47 127.9 86.71 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.662 177.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -63.44 -18.37 64.25 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.437 2.092 . . . . 0.0 112.187 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -105.13 -81.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.701 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.0 p -92.31 70.73 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.474 0.654 . . . . 0.0 109.406 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -32.26 112.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 113.666 -1.606 . . . . 0.0 112.331 175.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -153.61 -82.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.445 -1.252 . . . . 0.0 108.578 -177.442 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p -176.93 144.3 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.066 176.403 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.0 mt -86.33 96.28 9.93 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.922 0.392 . . . . 0.0 110.272 176.252 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.55 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 14.2 t70 -66.56 105.18 1.44 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.236 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.473 ' HA ' ' HA ' ' A' ' 19' ' ' ALA . 6.8 pt20 -112.14 135.77 52.38 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.074 0.464 . . . . 0.0 111.324 -174.544 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -148.7 146.94 28.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.529 -178.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 73.28 -44.01 0.57 Allowed 'General case' 0 N--CA 1.471 0.621 0 O-C-N 123.706 0.629 . . . . 0.0 112.109 177.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.78 1.05 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.375 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 -136.96 160.66 38.25 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.709 -0.289 . . . . 0.0 110.325 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.473 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . . . -100.47 162.81 12.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.093 0.473 . . . . 0.0 111.322 -176.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.55 ' HG2' ' O ' ' A' ' 13' ' ' ASP . 36.5 ptt180 -148.19 144.01 27.43 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.24 176.582 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.5 t -110.08 107.81 17.79 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 171.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 22' ' ' ARG . 50.2 mtp180 -60.37 -28.9 68.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.967 -173.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.1 t -82.93 -12.73 57.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.858 0.361 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.5 m -93.89 -68.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.394 0.616 . . . . 0.0 110.746 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.51 -19.81 11.37 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -168.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -75.91 138.08 40.8 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.249 -0.476 . . . . 0.0 110.833 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -110.21 138.31 46.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.261 173.322 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.3 mt -115.08 121.86 67.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.033 -172.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -71.55 123.02 21.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.875 0.369 . . . . 0.0 110.205 174.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 81.6 mtp -110.94 130.39 55.6 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 174.729 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -98.13 118.93 35.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.955 0.407 . . . . 0.0 110.929 -175.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.43 102.91 8.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.145 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.2 mt -100.02 163.19 12.54 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.89 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.42 ' HB2' HD23 ' A' ' 41' ' ' LEU . 44.0 t -91.97 115.78 65.25 Favored Pre-proline 0 C--N 1.316 -0.867 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 173.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.25 -36.42 77.82 Favored 'Trans proline' 0 N--CA 1.475 0.427 0 C-N-CA 122.988 2.459 . . . . 0.0 113.195 -173.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -83.25 2.53 35.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.829 -177.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.8 m -128.27 -35.07 2.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.819 0.343 . . . . 0.0 110.834 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.8 t60 67.55 14.01 9.45 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.099 0.959 . . . . 0.0 110.188 -174.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.426 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 76.8 mt-30 -110.24 156.11 40.75 Favored Pre-proline 0 C--O 1.237 0.419 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.759 175.445 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.426 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 32.1 Cg_endo -62.9 151.41 84.55 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.961 2.44 . . . . 0.0 113.543 -173.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.515 HD11 ' HB3' ' A' ' 52' ' ' TYR . 95.5 mt -90.08 157.72 17.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.667 177.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.535 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 53.6 tt0 -89.04 130.36 35.51 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.745 177.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.7 t -79.1 117.28 24.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.128 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' A' ' 53' ' ' PHE . 85.1 mt -97.4 108.81 21.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.181 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -102.95 90.81 3.89 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 171.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.38 -81.42 0.57 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.948 0.404 . . . . 0.0 110.251 -173.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.433 ' C ' ' H ' ' A' ' 49' ' ' ALA . 32.3 m -86.55 -149.43 0.14 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 174.112 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.43 21.24 5.35 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.267 172.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.433 ' H ' ' C ' ' A' ' 47' ' ' CYS . . . -127.26 134.37 50.07 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -176.422 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.2 t -94.21 129.51 44.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.464 ' HB3' HD12 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -127.99 -177.13 4.01 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.439 -177.912 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.515 ' HB3' HD11 ' A' ' 41' ' ' LEU . 85.1 m-85 -131.37 126.49 35.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 111.196 -175.153 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.535 ' HB3' ' HB3' ' A' ' 42' ' ' GLN . 78.1 t80 -111.4 133.27 53.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.528 179.008 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.579 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 41.9 t -85.76 89.07 7.65 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -73.1 94.71 1.95 Allowed 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 173.79 -32.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.277 -174.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 130.93 45.2 0.16 Allowed Glycine 0 C--N 1.334 0.443 0 CA-C-N 115.461 -0.79 . . . . 0.0 113.481 176.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.579 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 30.4 m170 -131.51 -7.78 3.69 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 117.478 0.639 . . . . 0.0 111.845 177.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.52 -154.24 38.01 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.33 -0.938 . . . . 0.0 111.45 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.2 mp -75.02 140.85 43.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.922 0.391 . . . . 0.0 110.434 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.46 HG13 HD23 ' A' ' 41' ' ' LEU . 33.3 mm -101.89 139.16 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.086 0.469 . . . . 0.0 111.298 -175.489 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.81 147.04 52.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.302 179.275 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 63' ' ' LYS . 10.7 mptt -78.98 -17.15 55.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.915 0.388 . . . . 0.0 110.616 -177.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -89.45 -4.57 57.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.212 0.529 . . . . 0.0 110.035 173.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 65' ' ' ARG . 12.6 ttp180 -124.18 32.53 5.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.724 0.773 . . . . 0.0 109.668 -175.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.9 p -105.58 150.21 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.101 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -105.39 101.8 11.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.797 0.332 . . . . 0.0 110.168 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -87.26 112.31 21.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.737 0.303 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.4 m -107.4 145.71 14.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.919 0.39 . . . . 0.0 110.394 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.0 tt -86.72 122.5 30.71 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.827 -178.339 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.6 ttm . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.916 0.389 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -145.75 157.38 43.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.134 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.1 mt -112.39 146.8 37.7 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 176.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . 0.463 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 37.8 m80 -112.71 156.79 22.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.886 0.374 . . . . 0.0 111.146 -177.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 8' ' ' CYS . 40.0 m -75.23 126.01 88.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.982 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.92 -46.31 34.59 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.747 2.298 . . . . 0.0 112.687 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -99.0 -59.73 1.67 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.38 0.61 . . . . 0.0 110.561 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.403 ' O ' ' HB2' ' A' ' 5' ' ' CYS . 8.6 p -86.55 61.56 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.503 -175.68 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -29.4 101.54 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.805 1.315 . . . . 0.0 113.514 -177.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.463 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 0.4 OUTLIER -169.45 -173.63 1.73 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.41 178.342 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.1 t -89.07 134.42 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.259 0.552 . . . . 0.0 111.868 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.405 HD23 HD13 ' A' ' 28' ' ' ILE . 83.3 mt -99.82 124.02 44.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.885 173.42 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -104.35 124.1 48.59 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -96.48 149.98 21.13 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.16 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -139.69 -72.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.859 0.361 . . . . 0.0 110.7 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -102.47 -71.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.651 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.36 9.52 0.51 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.501 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -119.25 150.48 40.02 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.507 ' HB3' ' HB ' ' A' ' 28' ' ' ILE . . . -92.54 115.54 28.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.265 0.555 . . . . 0.0 109.582 178.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.419 HH11 ' HD2' ' A' ' 20' ' ' ARG . 16.8 mmm180 -97.4 114.59 26.44 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.165 -176.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.654 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 85.1 m -68.66 92.33 0.47 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 171.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -70.58 -24.39 62.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.619 -169.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 p -102.29 -58.63 1.84 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.217 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.654 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.2 OUTLIER -63.29 -43.73 97.05 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.701 -178.026 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.46 -45.47 1.2 Allowed Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.121 -1.038 . . . . 0.0 114.446 172.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.455 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 5.8 pm0 -58.65 162.76 3.68 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -171.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -100.0 140.77 33.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.676 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.507 ' HB ' ' HB3' ' A' ' 19' ' ' ALA . 64.8 mt -122.95 106.47 17.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.179 0.514 . . . . 0.0 110.261 174.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.53 129.5 38.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.024 175.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.448 ' SD ' ' HB3' ' A' ' 68' ' ' PHE . 42.1 mtt -109.14 134.38 51.79 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.929 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.635 ' HZ2' HD22 ' A' ' 33' ' ' LEU . 42.8 tttm -82.95 102.12 11.5 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.239 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.7 98.82 4.87 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.008 -176.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.635 HD22 ' HZ2' ' A' ' 31' ' ' LYS . 87.0 mt -114.84 164.21 14.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.943 -177.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.465 ' HB2' HD21 ' A' ' 41' ' ' LEU . 41.5 t -93.57 118.09 67.44 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 172.353 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -64.99 -18.96 63.62 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.913 2.409 . . . . 0.0 113.444 -170.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.0 p30 -86.25 -14.93 42.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.445 ' O ' ' HB2' ' A' ' 38' ' ' HIS . 5.6 p -139.37 -6.98 1.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -175.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.445 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 10.5 m170 70.7 0.06 3.16 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.778 0.431 . . . . 0.0 111.864 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -91.39 149.5 39.68 Favored Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 121.206 -0.197 . . . . 0.0 110.629 -176.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.07 152.44 81.27 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 123.021 2.481 . . . . 0.0 112.723 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.465 HD21 ' HB2' ' A' ' 34' ' ' CYS . 96.6 mt -92.21 132.68 36.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.623 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -76.34 128.69 35.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.971 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.9 t -81.56 111.05 17.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.3 mt -88.13 107.07 18.58 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -91.75 133.5 35.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.301 -175.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.79 14.98 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.468 176.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.1 t 70.38 -74.25 0.09 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.445 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.01 -32.61 65.91 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.895 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.12 147.12 50.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.4 p -138.56 138.6 42.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.354 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.48 ' HB3' HD21 ' A' ' 60' ' ' LEU . 2.7 m-20 -126.25 157.47 38.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.179 0.514 . . . . 0.0 111.693 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.453 ' HB3' HD12 ' A' ' 41' ' ' LEU . 53.9 m-85 -107.45 104.14 13.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.373 -0.831 . . . . 0.0 108.989 176.011 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -100.9 123.78 45.6 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.008 0.433 . . . . 0.0 111.273 -175.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.513 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 40.5 t -91.51 92.67 8.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.678 175.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.41 95.11 2.66 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 172.42 20.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.205 -1.362 . . . . 0.0 109.325 -173.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.75 26.27 58.97 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.107 -0.568 . . . . 0.0 113.383 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.513 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 53.1 m170 -114.38 -16.64 11.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.302 0.551 . . . . 0.0 111.255 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.68 -153.24 38.29 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.722 -0.751 . . . . 0.0 113.057 175.133 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.48 HD21 ' HB3' ' A' ' 51' ' ' ASP . 90.7 mt -81.61 122.57 27.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.72 0.295 . . . . 0.0 110.733 -178.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.4 HG21 ' HG2' ' A' ' 65' ' ' ARG . 45.2 mm -90.39 127.12 43.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.113 179.65 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.2 m -70.2 159.13 34.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.256 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -48.62 -53.37 18.78 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.633 -175.024 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -86.22 7.74 23.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.275 0.559 . . . . 0.0 111.136 -174.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.4 ' HG2' HG21 ' A' ' 61' ' ' ILE . 32.3 ttm105 -104.35 -7.02 20.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.287 0.565 . . . . 0.0 109.794 176.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.8 t -75.67 132.86 32.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.67 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -90.56 107.44 19.17 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 92.7 m-85 -96.27 104.2 16.14 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.535 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.403 HG21 ' HB3' ' A' ' 31' ' ' LYS . 27.2 m -109.4 176.54 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.123 176.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.4 mt -70.26 123.41 21.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.704 0.288 . . . . 0.0 110.617 178.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.677 -0.677 . . . . 0.0 110.355 178.579 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 121.264 0.554 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.556 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 1.1 pm0 -81.27 152.36 27.65 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.745 175.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 mp -74.16 140.82 45.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.319 0.58 . . . . 0.0 111.933 -171.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -116.31 162.41 17.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 173.566 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.1 m -73.89 122.46 87.62 Favored Pre-proline 0 C--N 1.323 -0.565 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.966 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -84.66 28.55 0.57 Allowed 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 123.073 2.515 . . . . 0.0 111.509 176.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -155.2 -73.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.981 -176.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.2 p -93.7 63.24 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.13 -0.941 . . . . 0.0 108.99 176.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -35.03 102.45 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 O-C-N 124.917 1.386 . . . . 0.0 113.654 -172.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -168.36 -167.73 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.463 -1.244 . . . . 0.0 107.849 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.5 p -82.97 147.02 6.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-O 120.791 0.329 . . . . 0.0 111.407 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.1 mt -119.29 119.05 32.91 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -111.37 79.3 1.19 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.26 0.553 . . . . 0.0 111.241 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.684 ' NE2' ' H ' ' A' ' 14' ' ' GLN . 0.7 OUTLIER -84.6 128.47 34.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.697 173.579 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.1 p30 -99.67 -39.4 8.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.346 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -160.2 -73.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.798 0.332 . . . . 0.0 110.847 176.687 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.19 -6.52 36.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.371 -0.919 . . . . 0.0 113.251 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -137.24 145.71 43.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.817 0.341 . . . . 0.0 110.641 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.523 ' HB2' ' HB ' ' A' ' 28' ' ' ILE . . . -103.66 126.74 51.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.499 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 20' ' ' ARG . 19.6 mtp180 -91.08 115.35 27.94 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -94.73 90.25 6.02 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.175 -175.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -70.88 152.37 43.76 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.024 -178.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.5 m 70.43 -47.08 0.63 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 124.043 0.839 . . . . 0.0 110.92 -174.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 16.3 m -65.75 -41.38 92.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.045 177.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.31 -2.47 81.08 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.821 174.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -97.45 175.54 6.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.092 0.472 . . . . 0.0 110.953 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -128.91 137.97 51.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.439 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.523 ' HB ' ' HB2' ' A' ' 19' ' ' ALA . 63.2 mt -114.85 107.87 23.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -72.07 155.69 40.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.153 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 62.4 mtt -123.46 144.21 49.66 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.447 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.473 ' NZ ' ' HA ' ' A' ' 71' ' ' ALA . 17.0 mtmm -88.02 130.18 35.05 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.232 176.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.43 102.27 14.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.49 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 40' ' ' PRO . 82.9 mt -110.34 153.88 24.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.735 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.427 ' HB2' HD22 ' A' ' 41' ' ' LEU . 49.2 t -94.14 109.7 43.78 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.74 -26.43 73.25 Favored 'Trans proline' 0 N--CA 1.475 0.4 0 C-N-CA 123.295 2.663 . . . . 0.0 114.133 -169.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.8 p30 -75.87 -13.51 60.27 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 p -137.44 -8.47 1.71 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 50.2 t60 56.56 25.89 10.39 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.661 0.743 . . . . 0.0 110.39 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -104.5 149.94 37.95 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.293 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.424 ' HA ' HD22 ' A' ' 33' ' ' LEU . 24.3 Cg_exo -63.66 146.24 92.18 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.958 2.439 . . . . 0.0 113.09 -176.112 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.508 HD13 ' HB3' ' A' ' 52' ' ' TYR . 92.0 mt -86.92 141.56 28.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.627 176.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . 0.483 ' HB2' ' HB2' ' A' ' 55' ' ' GLN . 63.6 tt0 -89.34 108.57 19.71 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.243 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.7 t -76.17 99.61 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.594 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.515 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 61.2 mt -80.45 96.44 6.74 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 176.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -109.02 102.37 11.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -173.09 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -117.42 -175.15 2.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.631 176.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.1 m -71.52 107.36 4.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.779 0.323 . . . . 0.0 110.194 176.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.29 -44.63 2.79 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.822 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.07 117.79 34.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.008 0.432 . . . . 0.0 111.579 -174.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.515 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 88.4 t -125.9 116.79 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.659 176.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.448 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 49.0 m-20 -119.66 131.52 55.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.83 0.348 . . . . 0.0 111.604 -175.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.508 ' HB3' HD13 ' A' ' 41' ' ' LEU . 95.2 m-85 -88.53 99.3 12.19 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 171.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -100.98 133.67 45.12 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.033 -175.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.511 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 43.7 t -75.44 94.29 3.08 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 177.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.489 ' O ' ' HB2' ' A' ' 56' ' ' HIS . 9.2 tt0 -72.77 94.76 1.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.718 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . 0.489 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 0.8 OUTLIER 169.25 -39.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -178.134 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.64 68.18 0.11 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.826 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.511 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 18.4 m170 -136.32 -53.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.023 0.439 . . . . 0.0 109.913 174.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.56 -154.29 25.7 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mp -91.97 142.23 27.77 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.7 mm -112.15 124.48 68.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.62 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.3 m -66.0 141.95 58.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.61 174.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HA ' HG22 ' A' ' 66' ' ' VAL . 34.5 pttt -58.27 -28.38 64.9 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -173.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -71.61 -19.19 62.15 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.653 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -98.73 0.29 44.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.774 0.321 . . . . 0.0 110.678 -176.162 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.455 HG22 ' HA ' ' A' ' 63' ' ' LYS . 77.4 t -74.57 136.34 25.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.977 0.418 . . . . 0.0 110.695 -178.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -84.7 102.15 12.76 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 175.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -95.77 116.05 28.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.942 -177.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.6 m -115.15 154.6 16.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 173.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.1 mt -68.64 146.01 53.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.871 0.367 . . . . 0.0 110.763 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.473 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.15 -0.928 . . . . 0.0 111.442 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.719 0.295 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -98.42 153.96 18.2 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 173.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.2 mt -73.01 145.55 46.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.997 0.427 . . . . 0.0 111.567 -173.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -113.3 156.15 23.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.604 177.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.49 ' HB2' ' HA ' ' A' ' 9' ' ' GLN . 11.5 m -77.07 154.84 82.71 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.454 -174.423 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_exo -69.33 -51.55 0.41 Allowed 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.529 2.153 . . . . 0.0 111.401 172.728 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -98.71 -69.29 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.142 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.1 p -85.1 62.19 7.35 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.438 0.637 . . . . 0.0 109.706 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.49 ' HA ' ' HB2' ' A' ' 5' ' ' CYS . 72.7 mt-30 -46.08 116.61 1.28 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.412 -1.267 . . . . 0.0 112.739 -177.064 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 25.4 t-80 -162.74 -85.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.287 171.618 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 92.7 t -143.11 130.87 18.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 120.63 0.253 . . . . 0.0 110.526 -179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 33.5 mt -113.18 113.25 25.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.568 174.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.47 ' HB2' ' HD2' ' A' ' 22' ' ' ARG . 33.7 t70 -91.0 104.21 16.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.825 177.749 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.405 ' HA ' ' O ' ' A' ' 18' ' ' HIS . 8.5 tt0 -116.09 125.24 52.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.499 -178.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -126.46 -69.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.188 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -97.71 62.36 1.64 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.89 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.46 -41.01 1.58 Allowed Glycine 0 CA--C 1.52 0.397 0 CA-C-N 115.747 -0.66 . . . . 0.0 113.057 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.405 ' O ' ' HA ' ' A' ' 14' ' ' GLN . 41.7 m80 -81.1 140.77 34.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.703 0.287 . . . . 0.0 111.12 -177.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -117.18 127.13 53.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.081 176.065 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -121.83 137.42 54.78 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.318 0.58 . . . . 0.0 110.222 177.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.631 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 47.9 m -79.14 102.82 8.68 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.277 176.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.47 ' HD2' ' HB2' ' A' ' 13' ' ' ASP . 9.4 ptm180 -76.43 44.63 0.35 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.704 177.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.6 t -174.36 -58.43 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.656 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.631 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -90.44 4.61 50.51 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.854 0.686 . . . . 0.0 112.854 -174.323 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.47 -39.9 2.83 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.781 -0.723 . . . . 0.0 114.222 171.757 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.614 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 13.0 tt0 -43.5 129.09 5.19 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.391 0.676 . . . . 0.0 111.972 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -125.35 115.78 20.86 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 42.9 mt -102.91 128.54 55.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.4 0.619 . . . . 0.0 112.027 -171.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -90.41 101.1 13.84 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 171.428 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' MET . . . . . 0.485 ' HE1' ' HB3' ' A' ' 68' ' ' PHE . 78.3 mtp -101.3 122.87 44.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -92.17 131.16 37.63 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.97 -172.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.91 106.4 13.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.038 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.6 mt -116.41 169.11 9.56 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.699 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.524 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 11.0 t -80.3 132.64 58.7 Favored Pre-proline 0 C--N 1.318 -0.761 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 177.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.424 ' HA ' ' HB2' ' A' ' 67' ' ' GLU . 17.8 Cg_endo -59.42 -38.89 81.13 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.902 2.401 . . . . 0.0 112.761 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.12 -80.02 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.148 -177.198 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.16 -16.62 62.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -174.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.524 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 17.1 m80 62.29 15.95 8.04 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.404 ' OE1' ' HA ' ' A' ' 39' ' ' GLN . 15.7 mm-40 -84.84 149.63 54.08 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 174.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.86 133.8 60.26 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.911 2.407 . . . . 0.0 112.568 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.486 HD12 ' HB3' ' A' ' 52' ' ' TYR . 97.7 mt -84.57 151.71 24.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.456 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -83.57 111.83 19.45 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.0 t -75.78 108.67 8.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.42 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.448 HD13 ' HB2' ' A' ' 53' ' ' PHE . 59.2 mt -92.83 85.78 5.29 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.289 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -100.14 110.64 22.92 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.047 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.24 -167.68 1.41 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.109 177.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.9 p -73.31 95.44 2.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.249 0.547 . . . . 0.0 110.604 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.07 -59.51 0.38 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.651 178.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -106.89 155.39 19.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.099 0.476 . . . . 0.0 111.968 -173.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.1 p -133.32 138.62 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.075 178.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -129.92 175.0 9.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.694 0.283 . . . . 0.0 110.496 -178.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.486 ' HB3' HD12 ' A' ' 41' ' ' LEU . 88.1 m-85 -129.31 116.72 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.813 0.339 . . . . 0.0 110.27 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.448 ' HB2' HD13 ' A' ' 44' ' ' LEU . 61.4 t80 -113.67 124.14 51.59 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.276 -174.471 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 40.5 t -92.75 89.17 6.53 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -78.95 94.52 5.26 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -176.48 -34.65 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -174.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 142.73 42.67 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.113 -0.948 . . . . 0.0 112.433 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 36.2 m80 -136.67 -17.57 1.46 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.981 0.39 . . . . 0.0 111.128 177.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.04 -146.62 36.75 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.948 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.0 131.82 41.77 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.1 mm -93.03 129.03 44.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.796 -176.352 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 t -56.75 124.47 18.54 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.837 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -74.4 3.13 7.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.238 -171.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.826 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 9.6 mmpt? -100.22 -7.22 24.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.163 0.506 . . . . 0.0 110.09 172.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -113.1 -10.73 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.172 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.6 p -54.81 143.2 7.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.442 0 CA-C-O 121.057 0.456 . . . . 0.0 111.38 -176.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.424 ' HB2' ' HA ' ' A' ' 35' ' ' PRO . 5.2 tp10 -93.02 102.01 14.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.541 -176.501 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.485 ' HB3' ' HE1' ' A' ' 30' ' ' MET . 36.2 m-85 -92.45 108.11 19.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.803 0.335 . . . . 0.0 110.443 176.425 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 m -101.45 162.38 3.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.318 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 66.3 mt -90.43 126.87 36.04 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -178.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.692 -0.67 . . . . 0.0 110.649 177.326 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 121.007 0.432 . . . . 0.0 110.396 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -75.93 127.87 33.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.093 -176.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.8 144.65 47.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.697 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -101.02 146.18 27.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.018 0.437 . . . . 0.0 110.289 -177.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 3.3 m -80.29 140.81 52.87 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.566 -176.1 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 8.6 Cg_exo -73.16 0.4 7.96 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.88 2.387 . . . . 0.0 112.181 177.191 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -131.61 -77.01 0.51 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.877 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.475 ' HB2' ' HB2' ' A' ' 24' ' ' CYS . 26.9 p -84.34 63.05 7.56 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.768 177.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.455 ' HG2' ' O ' ' A' ' 5' ' ' CYS . 91.6 mt-30 -45.61 107.09 0.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.374 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -171.99 -78.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.859 174.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.9 t -138.68 132.56 40.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.034 0.445 . . . . 0.0 111.83 -176.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.7 mt -112.89 104.05 12.04 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 167.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -101.12 114.97 29.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -177.085 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -82.71 117.44 22.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.587 -173.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -63.39 -60.17 3.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.069 173.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -156.12 -44.8 0.08 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.284 173.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.09 -32.38 0.12 Allowed Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 172.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.42 ' HD2' ' HA ' ' A' ' 29' ' ' GLU . 28.2 t-80 -77.05 136.5 38.67 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 172.575 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.87 134.0 41.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.17 0.509 . . . . 0.0 111.391 -177.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -116.53 118.96 34.1 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 175.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.709 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 20.5 m -78.86 90.9 4.71 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.309 0.576 . . . . 0.0 112.022 -177.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -56.92 119.83 6.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.366 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.8 t 75.46 -38.36 0.36 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.685 0.794 . . . . 0.0 112.707 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' CYS . . . . . 0.709 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 7.6 p -87.3 -0.33 56.58 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.456 -0.497 . . . . 0.0 111.915 -177.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.18 -68.09 3.62 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 115.302 0.881 . . . . 0.0 115.302 165.178 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 64.2 mt-10 -43.61 117.26 1.11 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -168.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -82.15 124.64 30.05 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 175.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.4 mt -124.18 121.17 61.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.065 0.459 . . . . 0.0 111.169 -174.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.447 ' HB3' ' HB1' ' A' ' 71' ' ' ALA . 9.2 tp10 -83.07 143.19 30.74 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.4 mtt -132.46 141.99 49.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.383 0.611 . . . . 0.0 111.365 -177.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.446 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 43.1 mmtm -96.56 123.41 40.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.286 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.68 94.63 5.75 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.151 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.4 mt -99.26 145.52 27.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.03 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.432 ' HB2' HD22 ' A' ' 41' ' ' LEU . 36.7 t -81.08 115.69 57.76 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 170.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -60.35 -28.8 87.51 Favored 'Trans proline' 0 N--CA 1.471 0.164 0 C-N-CA 122.843 2.362 . . . . 0.0 112.466 -171.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -89.88 1.84 55.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.782 -178.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.2 m -129.27 -27.82 2.41 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.0 t60 69.12 8.34 6.77 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.565 0.698 . . . . 0.0 109.672 -174.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -107.23 143.08 26.44 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.309 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -57.21 152.78 43.34 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.647 2.231 . . . . 0.0 112.723 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.432 HD22 ' HB2' ' A' ' 34' ' ' CYS . 99.2 mt -89.93 150.62 22.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.67 178.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -82.18 115.72 21.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.912 176.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.4 t -74.65 110.29 8.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.982 176.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.514 HD12 ' HB3' ' A' ' 51' ' ' ASP . 87.7 mt -79.58 102.79 9.07 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 177.739 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -102.99 110.44 22.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.29 -176.072 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.465 ' HB1' ' HB1' ' A' ' 49' ' ' ALA . . . -119.02 -165.36 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.9 m -57.49 -54.28 48.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.063 0.458 . . . . 0.0 111.002 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -137.92 24.73 2.98 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.386 -0.685 . . . . 0.0 111.386 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.465 ' HB1' ' HB1' ' A' ' 46' ' ' ALA . . . -127.09 129.56 48.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.713 0.292 . . . . 0.0 110.693 -177.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.469 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 57.7 t -127.15 123.23 61.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.514 ' HB3' HD12 ' A' ' 44' ' ' LEU . 1.5 t70 -137.6 177.49 7.83 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.881 -0.327 . . . . 0.0 111.07 -176.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' TYR . . . . . 0.432 ' HB3' HD12 ' A' ' 41' ' ' LEU . 68.8 m-85 -127.93 107.66 10.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.516 -175.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -103.94 135.26 45.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.988 0.423 . . . . 0.0 110.999 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . 0.546 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 36.5 t -93.29 94.68 8.9 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.989 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -70.67 94.81 1.04 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 174.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 171.48 -29.46 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.557 -1.201 . . . . 0.0 108.91 -177.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.27 48.21 0.32 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.879 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' HIS . . . . . 0.546 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 34.8 m170 -128.39 -2.9 5.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.972 0.386 . . . . 0.0 110.64 175.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.07 -144.02 29.32 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.281 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.0 mt -88.3 135.95 33.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.858 0.361 . . . . 0.0 110.758 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.6 mm -100.01 130.05 49.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.761 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.9 t -58.8 147.85 31.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.37 175.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -65.47 -18.11 65.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.075 0.464 . . . . 0.0 110.896 -176.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -89.55 -17.85 27.76 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -93.62 13.58 21.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.738 -178.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.44 127.41 45.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.517 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -85.81 107.6 17.72 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -91.69 108.32 19.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.649 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.446 ' CG2' ' HB2' ' A' ' 31' ' ' LYS . 34.8 m -105.1 149.5 8.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.173 175.675 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.2 mp -73.67 136.34 43.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.414 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.447 ' HB1' ' HB3' ' A' ' 29' ' ' GLU . . . . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.357 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.469 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 36.8 m170 -113.49 157.07 22.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.487 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.4 m -74.52 142.0 77.2 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.023 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -85.66 31.12 0.48 Allowed 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.937 2.424 . . . . 0.0 111.927 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -161.07 -75.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.671 -177.391 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.6 p -89.13 63.03 6.46 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -46.78 101.49 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.123 -1.399 . . . . 0.0 113.435 -172.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.493 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 4.1 m-70 -162.23 -172.12 3.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.588 -1.187 . . . . 0.0 107.834 173.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.0 t -72.6 137.35 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.152 0.501 . . . . 0.0 111.717 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.5 mt -94.93 117.12 29.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.011 173.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.475 ' HB2' ' HD2' ' A' ' 22' ' ' ARG . 18.0 t70 -83.83 97.49 9.22 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -102.3 130.16 48.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.408 0.623 . . . . 0.0 112.374 -170.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -128.11 -153.73 0.59 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 174.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -66.3 101.81 0.78 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.64 0.734 . . . . 0.0 111.27 -177.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 65.02 11.45 51.41 Favored Glycine 0 C--N 1.334 0.45 0 CA-C-N 115.338 -0.846 . . . . 0.0 113.696 175.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -136.93 139.64 41.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.407 -0.466 . . . . 0.0 111.025 -175.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.41 102.77 5.25 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.693 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.532 ' HG2' ' HD1' ' A' ' 27' ' ' PHE . 18.6 mtp180 -92.78 133.35 36.13 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.258 0.551 . . . . 0.0 109.719 176.389 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.991 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 15.7 m -72.64 97.95 2.26 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.543 178.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HD2' ' HB2' ' A' ' 13' ' ' ASP . 11.5 ptm180 -71.04 139.09 50.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 171.121 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.2 m 74.22 -15.9 0.57 Allowed 'General case' 0 CA--C 1.538 0.515 0 O-C-N 123.827 0.705 . . . . 0.0 111.817 -176.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.991 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 27.1 m -93.74 -53.9 3.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.139 0.495 . . . . 0.0 110.132 172.504 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.26 -20.92 29.83 Favored Glycine 0 C--N 1.334 0.461 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.581 -174.186 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.39 154.15 40.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.963 0.505 . . . . 0.0 111.753 -177.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.532 ' HD1' ' HG2' ' A' ' 20' ' ' ARG . 59.7 t80 -119.63 126.0 50.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.225 177.331 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.2 mt -127.16 138.52 54.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.066 0.46 . . . . 0.0 110.602 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -112.39 147.8 35.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 79.3 mtp -125.46 149.74 47.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.858 0.361 . . . . 0.0 110.952 -174.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.662 ' HG3' ' HB2' ' A' ' 71' ' ' ALA . 94.8 mttt -93.13 139.56 30.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.894 -177.449 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.504 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -93.98 101.3 13.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.204 176.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 mt -107.39 146.97 30.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.957 0.408 . . . . 0.0 110.85 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.518 ' HB2' HD21 ' A' ' 41' ' ' LEU . 53.2 t -77.13 121.9 85.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 173.011 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.75 -40.53 47.47 Favored 'Trans proline' 0 N--CA 1.475 0.413 0 C-N-CA 122.868 2.379 . . . . 0.0 113.311 -176.123 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.462 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 4.7 p30 -86.96 2.59 48.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.136 -176.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.493 ' HB2' ' HB3' ' A' ' 34' ' ' CYS . 82.1 m -123.7 -42.57 2.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.714 0.292 . . . . 0.0 111.375 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.7 m80 67.58 14.38 9.54 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.481 -171.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -104.62 154.25 38.62 Favored Pre-proline 0 N--CA 1.45 -0.448 0 CA-C-N 115.254 -0.885 . . . . 0.0 108.738 172.743 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.42 146.82 95.61 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.797 2.332 . . . . 0.0 113.189 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' A' ' 34' ' ' CYS . 90.0 mt -85.12 150.75 24.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.574 176.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -80.95 112.84 18.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.614 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.6 100.26 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.628 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 50.8 mt -84.88 105.8 15.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.78 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -97.33 113.87 25.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.003 0.43 . . . . 0.0 111.158 -175.799 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.58 31.27 5.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.904 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.5 t 71.62 -70.82 0.15 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.995 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.33 -45.78 6.4 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.189 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.01 147.81 26.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.801 0.334 . . . . 0.0 110.652 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 69.7 t -129.67 122.01 54.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.809 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.524 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 42.1 m-20 -103.02 149.79 24.21 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.547 ' HB2' ' O ' ' A' ' 61' ' ' ILE . 88.0 m-85 -111.79 107.13 16.09 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 177.376 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.469 ' HB2' HD11 ' A' ' 44' ' ' LEU . 73.0 t80 -101.29 131.94 47.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.914 -174.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.595 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 28.9 t -75.53 92.74 2.92 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.29 177.324 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -71.69 94.6 1.37 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.015 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 169.49 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.112 -176.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.07 58.14 0.24 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.583 -0.818 . . . . 0.0 113.161 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.595 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 27.2 m170 -131.76 -27.23 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.98 0.39 . . . . 0.0 111.36 176.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.98 -154.05 16.57 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.044 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mp -95.4 139.87 31.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.935 0.398 . . . . 0.0 110.662 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.547 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 50.2 mm -120.77 129.01 76.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.819 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.0 t -81.63 159.85 23.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.902 0.382 . . . . 0.0 110.266 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -71.81 -3.7 23.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.589 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -97.64 0.06 46.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.916 0.388 . . . . 0.0 110.927 174.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.7 ttm-85 -120.82 -22.11 6.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.158 0.504 . . . . 0.0 110.4 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.504 HG21 ' HB1' ' A' ' 32' ' ' ALA . 14.9 p -64.09 154.17 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.415 -178.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -103.33 113.07 26.27 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.077 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.52 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 45.3 m-85 -92.99 121.34 34.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.765 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.6 m -113.01 163.43 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.494 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.16 122.81 21.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.149 -178.455 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.662 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.563 -0.732 . . . . 0.0 110.616 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.544 ' HG ' HD12 ' A' ' 12' ' ' LEU . 48.6 tp . . . . . 0 N--CA 1.451 -0.377 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -98.99 149.22 23.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.585 0.231 . . . . 0.0 110.557 -174.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 1.2 p -81.13 118.27 71.63 Favored Pre-proline 0 C--O 1.222 -0.382 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.928 -176.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 79.6 Cg_exo -45.56 -50.26 9.57 Favored 'Trans proline' 0 N--CA 1.476 0.467 0 C-N-CA 124.103 3.202 . . . . 0.0 115.096 -170.095 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -77.72 -51.26 10.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.154 0.502 . . . . 0.0 111.976 -172.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.58 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -88.66 -34.32 17.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.247 -172.062 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.465 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 14.9 mm-40 64.71 104.18 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.837 0.855 . . . . 0.0 113.286 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -171.79 -71.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.197 170.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -169.3 148.14 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.243 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.544 HD12 ' HG ' ' A' ' 3' ' ' LEU . 46.2 mt -108.66 129.21 55.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.06 175.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -105.86 87.73 2.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.197 0.522 . . . . 0.0 109.847 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.416 ' OE1' ' HB3' ' A' ' 12' ' ' LEU . 3.0 pm0 -104.3 120.71 41.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.214 178.261 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -153.01 -42.23 0.1 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.344 -178.052 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -73.14 -41.64 63.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.349 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.57 -18.29 1.66 Allowed Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -174.789 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -106.81 156.37 18.74 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 172.264 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.546 ' HB3' ' HB ' ' A' ' 28' ' ' ILE . . . -92.02 101.26 13.8 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -93.76 115.09 27.49 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.8 -174.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.731 ' HB2' ' HG2' ' A' ' 26' ' ' GLU . 57.0 m -79.51 92.59 5.3 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 172.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -54.38 -52.66 60.97 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.382 0.426 . . . . 0.0 111.449 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.4 p -68.27 -38.56 81.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.008 0.432 . . . . 0.0 111.772 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.651 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 2.7 m -78.64 -36.51 43.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.126 -174.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.23 15.78 60.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.998 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.731 ' HG2' ' HB2' ' A' ' 21' ' ' CYS . 2.5 pt-20 -103.36 157.31 17.12 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -178.245 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -120.95 118.16 29.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.368 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.546 ' HB ' ' HB3' ' A' ' 19' ' ' ALA . 65.8 mt -106.8 134.99 46.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.204 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -80.65 145.16 31.79 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.339 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.473 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 79.8 mtp -115.11 114.59 25.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.177 0.513 . . . . 0.0 109.628 177.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.42 ' HE2' HD21 ' A' ' 33' ' ' LEU . 86.7 tttt -87.61 115.94 25.39 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.474 -175.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.34 103.33 3.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.855 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.42 HD21 ' HE2' ' A' ' 31' ' ' LYS . 81.4 mt -104.95 143.84 32.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.884 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.5 ' HG ' ' CG ' ' A' ' 36' ' ' ASP . 41.9 t -84.69 108.81 16.29 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.427 174.264 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -48.1 -37.03 29.85 Favored 'Trans proline' 0 N--CA 1.474 0.382 0 C-N-CA 123.541 2.827 . . . . 0.0 114.2 -171.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.5 ' CG ' ' HG ' ' A' ' 34' ' ' CYS . 22.7 p30 -66.07 -22.96 66.44 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -175.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 p -129.65 -15.33 3.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -177.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.2 m80 60.59 26.15 15.84 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.189 0.519 . . . . 0.0 110.814 -176.009 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.761 ' HG3' ' HD2' ' A' ' 40' ' ' PRO . 1.4 tp-100 -108.86 147.68 36.33 Favored Pre-proline 0 N--CA 1.45 -0.449 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.863 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.761 ' HD2' ' HG3' ' A' ' 39' ' ' GLN . 12.6 Cg_endo -55.81 141.81 84.49 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.197 2.598 . . . . 0.0 113.551 -176.775 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.536 HD13 ' HB3' ' A' ' 52' ' ' TYR . 52.0 mt -91.3 151.36 20.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.936 177.635 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -88.55 123.95 33.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.86 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.3 t -83.58 104.01 11.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.677 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.51 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 79.2 mt -89.08 90.11 8.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.078 177.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -79.24 88.82 4.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 175.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.03 74.73 8.07 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.392 -172.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.4 m 61.2 17.88 8.59 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.45 -0.796 . . . . 0.0 112.455 170.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 141.86 -31.29 2.11 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.669 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.22 163.68 13.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.1 t -133.89 112.32 16.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.472 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.51 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 45.9 m-20 -104.01 139.47 39.08 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.536 ' HB3' HD13 ' A' ' 41' ' ' LEU . 86.7 m-85 -99.69 104.28 16.01 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.165 0.507 . . . . 0.0 109.864 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -101.14 123.44 45.3 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.338 -175.258 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 42.2 t -89.56 89.87 8.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.352 -0.385 . . . . 0.0 109.99 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -65.2 94.52 0.16 Allowed 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.813 176.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 174.78 -22.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 1.175 . . . . 0.0 108.788 -173.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.77 50.03 0.81 Allowed Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.407 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.414 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 37.9 m170 -126.77 -11.07 6.1 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 122.694 -0.297 . . . . 0.0 110.62 176.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.15 -149.94 21.08 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.826 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.4 mt -96.45 127.82 42.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.211 0.529 . . . . 0.0 110.749 -178.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.449 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 50.6 mm -99.5 119.78 47.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.009 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.1 m -65.16 152.33 43.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.639 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -59.15 -28.32 66.46 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -175.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -79.11 -0.3 31.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.625 0.25 . . . . 0.0 111.589 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -120.98 12.4 11.19 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.3 t -92.68 126.18 45.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.347 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -93.75 102.81 14.96 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.695 -0.484 . . . . 0.0 109.695 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.473 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 98.8 m-85 -87.05 111.95 21.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.386 178.498 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.8 m -100.66 159.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.359 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.6 mt -79.97 120.79 24.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.749 0.309 . . . . 0.0 110.501 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.76 -0.638 . . . . 0.0 110.773 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.972 0.415 . . . . 0.0 111.353 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 8.6 m-70 -128.18 160.29 32.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.233 177.393 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 2.0 m -74.53 132.15 78.89 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.346 178.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 43.8 Cg_exo -56.44 -49.96 13.4 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.742 2.295 . . . . 0.0 112.58 -178.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -96.13 -61.67 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.025 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.2 p -81.89 60.8 4.92 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -36.63 113.69 0.25 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.573 -1.194 . . . . 0.0 112.906 -177.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -176.76 178.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.002 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.636 HG13 ' HB3' ' A' ' 22' ' ' ARG . 7.7 p -68.6 133.29 32.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.267 0.556 . . . . 0.0 111.696 -179.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 21' ' ' CYS . 7.7 mt -119.25 93.94 4.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.269 174.102 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -98.95 144.18 28.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.355 0.598 . . . . 0.0 110.771 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -115.23 126.38 54.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.581 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -109.97 -58.17 2.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.23 0.538 . . . . 0.0 110.527 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -133.43 -151.65 0.45 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.213 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.1 -21.37 52.98 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.701 176.127 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -98.48 115.53 28.74 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 174.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.91 132.31 36.58 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -91.42 116.51 28.9 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.301 -174.492 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.438 ' HA ' HD23 ' A' ' 12' ' ' LEU . 11.0 t -79.29 89.66 4.94 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 173.379 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.636 ' HB3' HG13 ' A' ' 11' ' ' VAL . 15.1 ttp85 -83.82 146.41 28.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.182 -166.063 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 m 72.78 -13.3 0.68 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.923 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.433 ' H ' ' C ' ' A' ' 22' ' ' ARG . 59.4 m -94.12 -24.61 17.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.815 175.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.64 -10.39 74.79 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.713 177.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -98.4 175.67 5.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.803 0.335 . . . . 0.0 110.732 -177.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -140.51 152.35 45.51 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.569 HG21 HD22 ' A' ' 70' ' ' LEU . 61.6 mt -128.27 116.15 40.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -80.56 140.91 35.56 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.3 mtp -101.77 137.88 39.49 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.808 0.337 . . . . 0.0 110.099 -177.039 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 60.4 tttm -95.18 128.04 41.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.78 -178.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.51 111.01 22.34 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 40' ' ' PRO . 85.0 mt -119.39 161.57 20.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.748 178.044 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.527 ' HB2' HD21 ' A' ' 41' ' ' LEU . 50.8 t -99.73 114.54 65.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.526 ' HG3' ' HB2' ' A' ' 67' ' ' GLU . 52.3 Cg_exo -54.25 -28.33 51.85 Favored 'Trans proline' 0 N--CA 1.476 0.46 0 C-N-CA 123.291 2.661 . . . . 0.0 114.018 -171.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.512 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -76.34 -21.75 55.77 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -174.004 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.715 ' SG ' ' HG2' ' A' ' 39' ' ' GLN . 1.8 p -133.43 -16.55 2.37 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -176.168 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 71.12 2.23 4.15 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.609 0.764 . . . . 0.0 112.304 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.715 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 3.9 pt20 -76.06 158.51 82.1 Favored Pre-proline 0 C--O 1.238 0.495 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 174.164 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.452 ' HA ' HD23 ' A' ' 33' ' ' LEU . 22.3 Cg_exo -66.38 151.79 82.41 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.854 2.37 . . . . 0.0 112.296 177.192 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.534 HD13 ' HB3' ' A' ' 52' ' ' TYR . 70.7 mt -92.66 142.57 27.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.604 176.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -85.26 106.3 16.57 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.4 t -79.31 110.63 15.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.755 -175.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.547 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 38.8 mt -91.34 135.87 33.51 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.439 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -109.96 98.09 7.46 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.12 -162.14 0.88 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.735 -176.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.2 t -73.68 87.14 1.67 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.947 0.403 . . . . 0.0 110.216 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.44 8.79 81.01 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.432 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.98 138.04 53.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.957 0.408 . . . . 0.0 111.385 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 62.3 t -108.03 112.34 39.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 173.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.547 ' HB3' ' HB2' ' A' ' 44' ' ' LEU . 30.8 t0 -109.72 123.01 48.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.808 0.337 . . . . 0.0 110.356 -171.827 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.534 ' HB3' HD13 ' A' ' 41' ' ' LEU . 80.8 m-85 -93.03 103.74 16.02 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.005 0.431 . . . . 0.0 109.922 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -105.88 115.86 30.95 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.774 -174.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.6 t -91.19 89.59 7.41 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -78.53 94.73 5.02 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.814 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -177.49 24.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.034 -0.984 . . . . 0.0 108.43 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.97 44.37 61.78 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.69 -176.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 67.7 m170 -122.03 -65.86 1.08 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 117.077 0.438 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.02 -160.36 26.23 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.537 -0.84 . . . . 0.0 112.422 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.2 mt -91.19 140.71 29.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.057 0.456 . . . . 0.0 111.218 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.485 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 42.9 mm -114.34 130.26 68.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.16 -178.093 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.469 ' O ' HG23 ' A' ' 66' ' ' VAL . 25.8 t -83.53 161.76 21.11 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 177.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.531 ' HB2' ' HZ3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -48.5 -44.92 36.37 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.267 0.627 . . . . 0.0 112.366 -176.052 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -75.16 -22.28 58.19 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -174.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -85.61 -20.1 30.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.689 0.281 . . . . 0.0 110.692 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 62' ' ' SER . 55.8 t -61.83 134.16 27.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 0.0 111.289 -178.143 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.526 ' HB2' ' HG3' ' A' ' 35' ' ' PRO . 34.4 tt0 -84.45 105.93 15.65 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -99.64 116.53 31.97 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.364 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 31' ' ' LYS . 28.8 m -108.68 166.58 4.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 172.63 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.569 HD22 HG21 ' A' ' 28' ' ' ILE . 78.5 mt -82.48 123.6 29.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.626 0.251 . . . . 0.0 110.887 -175.672 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.778 -0.629 . . . . 0.0 110.423 177.596 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.549 HD13 HE21 ' A' ' 14' ' ' GLN . 71.0 mt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.881 0.372 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.505 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 47.1 m80 -126.2 160.09 31.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.535 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.588 ' SG ' ' HG ' ' A' ' 12' ' ' LEU . 33.6 m -74.44 129.23 84.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.807 175.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 23.8 Cg_exo -64.71 -30.82 59.51 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.515 2.143 . . . . 0.0 112.07 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -102.7 -68.47 0.83 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.708 -178.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.0 p -87.33 62.74 7.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.689 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -36.43 107.97 0.07 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 114.222 -1.354 . . . . 0.0 113.776 -174.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.505 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 1.5 t-80 -174.89 -165.96 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 177.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 73.5 t -79.58 136.51 23.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-N 118.614 0.643 . . . . 0.0 112.187 -174.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.588 ' HG ' ' SG ' ' A' ' 5' ' ' CYS . 6.4 mt -123.16 140.05 53.43 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.383 177.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -121.17 104.8 10.02 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 171.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.549 HE21 HD13 ' A' ' 3' ' ' LEU . 22.1 pt20 -118.51 137.84 52.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.103 -0.498 . . . . 0.0 112.024 -170.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 14' ' ' GLN . 2.3 t70 172.71 -168.17 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 175.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 p30 59.97 -46.29 0.09 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.65 1.58 . . . . 0.0 114.924 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.78 -29.28 0.54 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.256 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -136.85 139.54 41.76 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 174.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.11 124.85 51.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.891 0.377 . . . . 0.0 111.099 -175.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.0 ttt-85 -105.65 134.79 48.2 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 175.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.624 ' CB ' ' HB2' ' A' ' 24' ' ' CYS . 61.7 m -62.97 122.85 17.04 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.331 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -62.79 -50.4 71.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.642 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.08 0.36 23.47 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -174.17 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.624 ' HB2' ' CB ' ' A' ' 21' ' ' CYS . 61.8 m -93.88 -75.83 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.282 0.563 . . . . 0.0 110.84 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.401 ' H ' ' HB2' ' A' ' 21' ' ' CYS . . . 142.28 -24.1 2.37 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.839 -173.468 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.577 ' OE2' ' HB3' ' A' ' 24' ' ' CYS . 6.3 mp0 -64.81 143.93 57.6 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.907 0.384 . . . . 0.0 111.14 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -118.49 117.46 29.08 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 171.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.42 HG21 HD22 ' A' ' 70' ' ' LEU . 60.2 mt -118.76 116.56 51.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 -174.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -76.27 148.43 37.58 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.3 mtt -109.27 138.12 46.1 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.033 0.444 . . . . 0.0 110.697 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -86.74 110.27 19.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.81 105.42 7.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.724 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.0 mt -113.74 149.25 35.09 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.677 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.607 ' HB2' HD21 ' A' ' 41' ' ' LEU . 42.0 t -82.75 122.84 78.54 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 171.016 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.53 -32.67 44.64 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.875 2.383 . . . . 0.0 113.251 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.494 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -89.22 -10.14 48.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.453 -175.312 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.566 ' SG ' ' CE1' ' A' ' 58' ' ' HIS . 36.4 m -114.57 -40.81 3.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.03 0.443 . . . . 0.0 111.053 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.8 m80 61.57 22.03 12.58 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.496 -169.869 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -109.14 151.97 42.28 Favored Pre-proline 0 N--CA 1.445 -0.707 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.717 172.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.64 139.05 89.11 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 123.072 2.515 . . . . 0.0 113.481 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.607 HD21 ' HB2' ' A' ' 34' ' ' CYS . 84.1 mt -82.26 158.97 23.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.37 175.076 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -95.6 111.24 23.21 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.1 t -77.48 104.25 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.241 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 67.8 mt -93.72 126.31 38.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.181 -177.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -97.82 102.91 14.79 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 171.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.02 28.7 1.33 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.393 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.9 p 42.13 80.83 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 O-C-N 124.057 0.848 . . . . 0.0 111.508 -174.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.03 -59.1 0.69 Allowed Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -174.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.44 159.32 20.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.785 0.326 . . . . 0.0 110.58 176.18 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.4 t -117.58 124.75 73.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.54 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 26.1 m-20 -107.27 124.61 50.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.964 0.411 . . . . 0.0 111.197 -177.435 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -84.12 98.54 9.95 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -100.94 127.48 47.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.988 0.423 . . . . 0.0 111.094 -172.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 42.2 t -88.54 89.22 7.9 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 175.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -75.7 94.57 3.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.993 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -178.7 17.12 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.347 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.84 21.97 64.87 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.352 -176.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.566 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 39.0 m170 -99.09 -52.64 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 122.635 -0.332 . . . . 0.0 111.466 -177.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.96 -161.84 23.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.132 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mp -91.83 134.08 35.07 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.0 mm -95.54 136.52 26.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 m -65.28 147.2 53.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.787 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -59.53 -45.17 92.56 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -81.62 5.5 17.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.884 0.373 . . . . 0.0 111.279 -178.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -102.23 -12.04 18.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.757 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.74 130.7 35.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.193 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -86.55 107.13 17.98 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -95.37 116.18 28.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.581 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.4 167.03 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.719 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.42 HD22 HG21 ' A' ' 28' ' ' ILE . 90.3 mt -72.78 126.36 29.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.774 -177.063 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.742 -0.647 . . . . 0.0 111.047 179.607 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 12' ' ' LEU . 31.5 tp . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.518 ' H ' ' HG ' ' A' ' 3' ' ' LEU . 69.5 m80 -129.79 148.53 51.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.841 0.353 . . . . 0.0 110.611 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.43 129.04 61.84 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.355 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.58 -25.57 54.8 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.312 2.008 . . . . 0.0 111.094 171.107 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -85.41 -82.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.132 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p -95.16 69.34 3.17 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.387 -176.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -37.98 103.54 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 113.749 -1.568 . . . . 0.0 112.954 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.55 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 7.8 m-70 -170.01 179.05 3.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 176.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.3 p -71.62 137.31 23.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 CA-C-O 121.665 0.745 . . . . 0.0 111.822 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.524 ' HB2' ' HB3' ' A' ' 3' ' ' LEU . 81.3 mt -112.21 122.32 47.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.806 174.022 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -102.03 113.31 26.43 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -127.23 104.67 8.08 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.268 -173.362 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -98.09 -74.02 0.59 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.033 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -117.98 104.72 11.16 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.675 0.274 . . . . 0.0 111.507 -174.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.4 -51.15 4.52 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 114.451 0.54 . . . . 0.0 114.451 168.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -111.71 151.67 28.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.189 0.519 . . . . 0.0 112.255 -174.137 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.04 108.44 18.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.647 174.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 ttm-85 -98.79 130.05 45.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.234 0.54 . . . . 0.0 110.952 -178.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.535 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 91.7 m -66.94 97.87 0.52 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.889 173.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -61.93 -38.56 88.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.853 0.359 . . . . 0.0 110.848 -174.5 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -89.86 -43.77 10.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.248 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 10' ' ' HIS . 3.2 m -66.1 -41.96 89.94 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.169 -174.102 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.12 0.45 58.54 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.118 -175.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -91.7 166.01 13.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.77 0.319 . . . . 0.0 110.684 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -125.18 126.87 45.92 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.535 HG21 HD22 ' A' ' 70' ' ' LEU . 60.9 mt -107.15 136.17 43.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.694 -177.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -93.36 149.87 20.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.861 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.0 mtt -102.28 159.0 15.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.342 0.592 . . . . 0.0 111.445 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.793 ' HE3' ' HA ' ' A' ' 71' ' ' ALA . 36.1 ttmt -130.47 109.6 10.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.34 -178.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.14 98.73 6.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.957 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.9 mt -111.36 147.3 35.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.191 0.519 . . . . 0.0 110.847 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.539 ' HB2' HD21 ' A' ' 41' ' ' LEU . 50.4 t -78.68 135.39 60.08 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.935 175.072 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.33 -32.3 72.55 Favored 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 122.417 2.078 . . . . 0.0 113.468 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.405 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 3.4 p30 -89.66 -17.08 29.07 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -172.414 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.0 p -142.15 1.86 1.46 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 38.53 33.9 0.07 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.722 1.209 . . . . 0.0 113.92 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -93.57 145.23 29.56 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 172.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -57.52 126.76 22.94 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 123.148 2.566 . . . . 0.0 112.784 -177.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.539 HD21 ' HB2' ' A' ' 34' ' ' CYS . 96.0 mt -78.02 139.78 39.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.613 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.539 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 63.7 tt0 -79.45 121.39 25.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.965 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.7 t -74.26 103.39 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.632 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 75.8 mt -86.49 107.75 18.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.258 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -99.68 90.08 4.35 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.9 86.64 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.194 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.5 p 45.48 36.3 2.4 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.94 0.896 . . . . 0.0 112.908 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.37 -32.13 5.35 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.355 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.94 111.37 19.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.632 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 9.5 p -106.95 125.65 62.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.24 0.543 . . . . 0.0 111.002 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -134.84 170.76 15.37 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.434 ' HB3' HD13 ' A' ' 41' ' ' LEU . 97.4 m-85 -116.25 120.55 39.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.292 0.568 . . . . 0.0 111.45 -172.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.539 ' HB3' ' HB3' ' A' ' 42' ' ' GLN . 64.2 t80 -101.22 130.88 47.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.225 -179.002 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.665 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 51.1 t -87.89 103.1 15.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.634 -178.165 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.493 ' O ' ' HB2' ' A' ' 56' ' ' HIS . 40.4 mt-30 -72.47 95.26 1.76 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.503 0.668 . . . . 0.0 110.537 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.493 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 1.0 OUTLIER 170.04 -3.66 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.318 -1.31 . . . . 0.0 109.572 -177.281 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.444 ' H ' ' H ' ' A' ' 56' ' ' HIS . . . 90.88 28.31 16.18 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.223 -177.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.665 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 59.6 m170 -100.86 -8.42 22.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 110.599 177.225 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.32 -148.06 32.22 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.237 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.2 mt -83.47 143.66 30.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.714 0.292 . . . . 0.0 110.754 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.5 mm -111.46 135.15 51.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.04 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.3 m -58.35 142.63 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -61.13 -30.74 70.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.619 -173.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -88.92 0.05 56.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.628 0.252 . . . . 0.0 111.651 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -99.42 -14.88 18.94 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.406 HG13 HD12 ' A' ' 41' ' ' LEU . 58.9 t -70.15 125.48 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.233 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -88.56 102.14 14.64 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -82.72 100.52 10.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.855 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.491 HG23 ' HB3' ' A' ' 31' ' ' LYS . 34.1 m -100.77 176.46 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.79 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.535 HD22 HG21 ' A' ' 28' ' ' ILE . 66.4 mt -87.26 130.46 34.58 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.848 0.356 . . . . 0.0 110.185 -178.33 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.793 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.992 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.8 mt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 11' ' ' VAL . 33.6 m80 -127.03 155.96 42.41 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -178.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.9 m -74.72 122.19 86.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.74 -22.11 69.65 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.633 2.222 . . . . 0.0 111.942 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -105.06 -72.93 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.66 178.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.425 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 2.6 p -80.74 12.58 3.08 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -171.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.409 ' HB3' ' H ' ' A' ' 10' ' ' HIS . 35.4 mm-40 51.71 -152.86 0.21 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 174.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.409 ' H ' ' HB3' ' A' ' 9' ' ' GLN . 29.2 m170 70.24 -97.9 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.27 0.628 . . . . 0.0 111.442 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 4' ' ' HIS . 8.0 p -164.98 147.79 2.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.017 0.437 . . . . 0.0 111.49 -176.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.512 HD21 HD12 ' A' ' 28' ' ' ILE . 26.1 mt -112.01 81.4 1.46 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.58 173.055 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.488 ' HB3' ' HE ' ' A' ' 22' ' ' ARG . 8.9 t70 -94.78 100.81 12.64 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -89.3 145.54 25.31 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.759 -169.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -67.25 -63.52 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 170.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -176.74 104.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.724 -1.126 . . . . 0.0 108.986 176.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.68 -62.45 4.51 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.73 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -77.21 117.81 19.11 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.01 105.44 17.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.604 -174.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -91.13 121.9 33.32 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 173.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.635 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 74.3 m -70.64 90.93 0.78 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 174.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.488 ' HE ' ' HB3' ' A' ' 13' ' ' ASP . 34.7 mtm180 -58.83 -59.41 5.48 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -177.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.8 m -71.96 -9.48 58.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -176.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.635 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 29.7 m -93.77 -50.54 5.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.242 0.544 . . . . 0.0 110.891 175.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.52 14.27 24.12 Favored Glycine 0 CA--C 1.521 0.461 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.711 -172.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.425 ' OE1' ' SG ' ' A' ' 8' ' ' CYS . 12.5 mt-10 -103.38 173.46 6.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.026 0.441 . . . . 0.0 111.712 -175.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -132.43 116.48 16.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.742 175.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.512 HD12 HD21 ' A' ' 12' ' ' LEU . 58.0 mt -112.96 135.1 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.18 0.514 . . . . 0.0 110.989 -179.082 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -94.41 145.8 24.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.185 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.2 mtt -124.78 153.46 42.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.252 0.549 . . . . 0.0 111.189 176.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HE2' ' HA ' ' A' ' 71' ' ' ALA . 63.6 mttm -110.44 128.75 55.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.171 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.19 109.01 17.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.151 177.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 40' ' ' PRO . 67.0 mt -117.65 158.12 25.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.028 0.442 . . . . 0.0 110.995 -177.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.46 ' HB2' HD21 ' A' ' 41' ' ' LEU . 16.0 t -81.0 125.07 80.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.479 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.465 ' HG3' ' HG2' ' A' ' 65' ' ' ARG . 19.3 Cg_endo -57.03 -26.38 68.25 Favored 'Trans proline' 0 N--CA 1.476 0.46 0 C-N-CA 123.432 2.755 . . . . 0.0 114.912 -169.129 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.526 ' OD1' ' HE1' ' A' ' 58' ' ' HIS . 6.9 p-10 -98.92 -50.2 4.28 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -174.377 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 p -92.77 -10.7 36.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.884 0.373 . . . . 0.0 110.996 -174.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 34.2 t60 65.8 2.94 2.32 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.51 0.724 . . . . 0.0 112.044 174.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.454 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 32.8 mm-40 -69.81 146.55 95.63 Favored Pre-proline 0 C--O 1.236 0.386 0 CA-C-O 120.422 0.153 . . . . 0.0 110.773 176.233 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.47 ' HA ' HD23 ' A' ' 33' ' ' LEU . 17.0 Cg_exo -67.81 146.61 72.92 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.472 2.781 . . . . 0.0 113.055 -177.293 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' ' 34' ' ' CYS . 38.2 mt -99.42 137.93 37.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.585 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -87.85 128.59 35.34 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.33 111.64 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.012 0.434 . . . . 0.0 110.762 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.545 HD11 ' HB2' ' A' ' 53' ' ' PHE . 90.7 mt -88.49 85.88 6.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.348 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -90.76 101.84 14.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.635 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -114.1 161.71 17.41 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 175.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.0 p -74.69 79.75 2.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.511 0.672 . . . . 0.0 110.156 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 153.77 -61.52 0.38 Allowed Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.558 -177.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.29 136.18 51.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.83 0.348 . . . . 0.0 111.045 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 61.0 t -117.4 116.77 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.665 174.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -131.45 -172.09 2.76 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.693 -177.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.428 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 87.3 m-85 -121.51 131.59 54.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.942 0.401 . . . . 0.0 111.458 -178.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.545 ' HB2' HD11 ' A' ' 44' ' ' LEU . 75.2 t80 -107.17 122.32 46.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.243 178.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 45.5 t -68.05 98.9 0.81 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.564 178.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' A' ' 56' ' ' HIS . 64.1 tt0 -70.78 116.02 10.6 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 173.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.532 ' HB3' ' O ' ' A' ' 55' ' ' GLN . 52.2 t-80 88.43 86.1 0.02 OUTLIER 'General case' 0 C--O 1.233 0.227 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.91 88.6 0.31 Allowed Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.178 -0.919 . . . . 0.0 114.185 171.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.529 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 2.6 m80 156.29 -73.8 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.649 1.179 . . . . 0.0 111.533 164.356 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.12 -157.04 15.78 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -167.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.12 130.74 45.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.859 0.829 . . . . 0.0 111.1 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.0 mm -108.3 138.29 35.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.8 p -56.27 125.77 23.28 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.004 0.43 . . . . 0.0 110.332 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.458 ' HB2' ' NZ ' ' A' ' 63' ' ' LYS . 4.8 ttmp? -57.79 -29.28 64.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.405 -172.031 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -83.51 -9.49 58.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.012 0.434 . . . . 0.0 111.499 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.465 ' HG2' ' HG3' ' A' ' 35' ' ' PRO . 41.5 ttm180 -97.61 -15.27 20.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.024 0.44 . . . . 0.0 110.294 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.5 t -56.52 137.87 17.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.679 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -92.25 114.49 27.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.69 177.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -100.53 114.38 27.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.588 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.0 m -114.06 153.6 15.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.15 177.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.747 ' H ' HD23 ' A' ' 70' ' ' LEU . 2.3 pt? -75.41 145.14 41.81 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.488 -0.768 . . . . 0.0 110.547 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 11' ' ' VAL . 18.7 m80 -84.52 152.74 23.72 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.91 104.14 2.21 Favored Pre-proline 0 C--N 1.332 -0.163 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.465 -173.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.533 ' HD3' ' O ' ' A' ' 4' ' ' HIS . 83.8 Cg_endo -77.97 72.82 6.0 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.246 2.631 . . . . 0.0 112.603 -172.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -173.54 -45.06 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.683 -1.144 . . . . 0.0 108.578 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.514 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 4.8 p -118.42 -25.52 6.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.484 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.458 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 15.5 mm-40 72.5 123.47 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.053 0.941 . . . . 0.0 112.8 177.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 174.41 -87.49 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.27 174.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.555 ' HA ' ' HA ' ' A' ' 4' ' ' HIS . 13.8 p -171.78 142.22 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.013 0.435 . . . . 0.0 111.264 179.042 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 21' ' ' CYS . 82.5 mt -117.99 96.91 5.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.872 175.127 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -88.79 105.41 17.7 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.695 ' HG2' ' HB2' ' A' ' 19' ' ' ALA . 77.4 mt-30 -84.85 143.76 28.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.454 -168.184 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.8 -58.65 7.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.233 170.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -173.89 -54.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.362 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -104.37 -64.34 0.68 Allowed Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.715 177.26 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.79 158.33 22.85 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.297 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.695 ' HB2' ' HG2' ' A' ' 14' ' ' GLN . . . -129.95 170.41 13.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.089 0.471 . . . . 0.0 111.568 -175.847 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -150.91 144.37 24.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.479 -0.782 . . . . 0.0 108.97 176.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 56.8 m -62.68 109.33 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 174.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.401 ' HB3' HG13 ' A' ' 11' ' ' VAL . 3.5 tpt180 -62.86 -54.85 32.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.157 -172.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 m -77.89 -41.15 37.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.984 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.544 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 3.4 m -67.77 -53.22 28.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.049 0.452 . . . . 0.0 110.748 -175.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.78 -12.98 42.1 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.077 -0.582 . . . . 0.0 111.795 -174.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.514 ' OE1' ' SG ' ' A' ' 8' ' ' CYS . 11.0 mt-10 -65.3 152.01 44.82 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 123.038 0.535 . . . . 0.0 111.395 -177.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -96.62 112.42 24.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.666 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.2 mt -128.53 94.23 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -93.73 169.96 9.92 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 66.5 mtt -122.2 138.84 54.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.057 0.456 . . . . 0.0 111.297 -176.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -77.76 131.11 37.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.557 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.71 87.93 7.42 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 40' ' ' PRO . 72.1 mt -105.59 148.24 27.53 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.111 -175.734 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.542 ' HB2' HD21 ' A' ' 41' ' ' LEU . 53.2 t -76.67 124.03 87.69 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 171.687 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.11 -29.32 86.79 Favored 'Trans proline' 0 N--CA 1.474 0.382 0 C-N-CA 123.087 2.525 . . . . 0.0 113.459 -170.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.74 -36.84 50.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.712 -174.096 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.56 ' HB2' ' OE1' ' A' ' 39' ' ' GLN . 2.7 p -120.44 -22.36 6.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -170.025 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 44.0 m80 67.6 18.19 9.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.961 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.56 ' OE1' ' HB2' ' A' ' 37' ' ' CYS . 1.8 mp0 -78.86 139.93 58.02 Favored Pre-proline 0 C--O 1.238 0.463 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 168.292 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 39' ' ' GLN . 38.5 Cg_exo -60.64 129.86 31.06 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.721 2.281 . . . . 0.0 112.04 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.542 HD21 ' HB2' ' A' ' 34' ' ' CYS . 95.8 mt -73.18 126.88 31.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.14 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -72.52 120.44 18.13 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.144 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.9 t -78.22 101.27 3.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.456 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.505 HD11 ' HB2' ' A' ' 53' ' ' PHE . 61.6 mt -80.75 99.0 8.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.696 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' A' ' 45' ' ' LYS . 32.2 mtpt -98.21 106.43 18.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.113 0.482 . . . . 0.0 111.025 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -107.29 -179.12 3.83 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.305 174.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.1 t -80.55 82.83 6.47 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.05 0.452 . . . . 0.0 110.313 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.6 -12.38 23.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.846 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.93 138.02 53.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.607 0.241 . . . . 0.0 111.254 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 58.3 t -136.39 119.52 22.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 177.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.506 ' HB3' HD22 ' A' ' 60' ' ' LEU . 6.0 m-20 -130.61 158.43 40.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.926 0.394 . . . . 0.0 111.183 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.512 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 95.6 m-85 -108.03 113.35 26.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.191 177.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.505 ' HB2' HD11 ' A' ' 44' ' ' LEU . 62.3 t80 -103.61 132.19 50.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.01 -175.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.463 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 44.0 t -101.98 99.74 9.95 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.172 178.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -70.43 94.97 1.0 Allowed 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.53 0.681 . . . . 0.0 110.073 176.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 176.4 22.16 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.116 -1.402 . . . . 0.0 109.118 -179.306 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.01 31.63 66.64 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.633 -176.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.463 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 49.9 m170 -113.58 -10.49 13.13 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 117.082 0.441 . . . . 0.0 110.912 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.51 -142.41 35.32 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.063 176.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 51' ' ' ASP . 96.0 mt -92.84 134.47 35.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.876 0.37 . . . . 0.0 110.922 -177.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.2 mm -107.06 120.53 58.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.263 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.4 m -61.75 147.99 44.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.272 175.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.46 ' HA ' HG23 ' A' ' 66' ' ' VAL . 19.2 pttp -70.94 0.32 7.63 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -172.029 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -82.67 -30.52 29.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.429 0.633 . . . . 0.0 109.647 171.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 65' ' ' ARG . 42.2 mtm180 -102.95 13.67 33.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.875 -172.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.46 HG23 ' HA ' ' A' ' 63' ' ' LYS . 61.7 t -87.48 128.42 40.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.737 175.766 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -92.5 105.1 17.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.001 0.429 . . . . 0.0 109.93 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -88.77 115.59 26.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.753 -178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.0 m -113.54 153.45 15.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.172 177.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.03 128.37 36.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.712 0.291 . . . . 0.0 110.459 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.068 -177.449 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.539 ' HB2' ' HB2' ' A' ' 12' ' ' LEU . 90.8 mt . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -116.49 139.22 50.7 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.499 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.491 ' SG ' ' HB3' ' A' ' 7' ' ' GLN . 10.8 t -84.58 108.88 16.38 Favored Pre-proline 0 C--O 1.215 -0.738 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.147 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.51 -15.63 4.32 Favored 'Trans proline' 0 N--CA 1.48 0.709 0 C-N-CA 123.126 2.551 . . . . 0.0 113.316 -174.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLN . . . . . 0.491 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 7.3 tm0? -81.49 -39.57 24.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.423 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.6 p -132.51 1.71 3.75 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.878 0.37 . . . . 0.0 111.525 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 5' ' ' CYS . 87.2 mt-30 54.69 24.9 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 124.128 0.971 . . . . 0.0 112.656 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -99.87 171.81 7.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.467 175.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.49 133.86 29.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -172.627 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.539 ' HB2' ' HB2' ' A' ' 3' ' ' LEU . 97.5 mt -99.74 106.72 18.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.666 -1.152 . . . . 0.0 108.335 166.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -97.51 135.96 38.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.002 0.43 . . . . 0.0 110.841 -176.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -94.66 96.6 9.52 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.624 -176.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -73.59 -29.83 62.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.9 0.857 . . . . 0.0 109.244 172.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.428 ' C ' ' H ' ' A' ' 18' ' ' HIS . 8.3 p30 -160.74 -148.07 0.16 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.447 -1.251 . . . . 0.0 107.819 178.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.2 24.76 1.08 Allowed Glycine 0 CA--C 1.524 0.655 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.853 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.428 ' H ' ' C ' ' A' ' 16' ' ' ASN . 33.1 m170 -133.59 136.13 44.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.78 102.83 13.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.079 0.466 . . . . 0.0 109.746 176.031 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -100.92 110.65 22.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.63 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.5 t -71.72 104.17 3.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.161 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 22' ' ' ARG . 62.7 mtt85 -71.77 86.66 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.885 178.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.8 p 174.42 -66.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.983 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.0 p -93.78 -18.13 22.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.94 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.81 14.01 80.39 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.538 -0.839 . . . . 0.0 111.554 -177.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -61.11 130.3 45.63 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.423 -0.389 . . . . 0.0 110.331 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -98.54 104.88 16.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.396 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.2 mt -113.25 105.34 18.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.991 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -88.64 171.62 9.88 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.523 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 49.3 mtt -117.4 122.93 45.17 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.131 0.491 . . . . 0.0 110.778 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -88.46 119.46 28.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.562 -179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.01 107.53 10.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.69 -176.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 99.4 mt -113.58 157.64 21.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.257 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.623 ' SG ' HD11 ' A' ' 61' ' ' ILE . 36.8 t -84.93 115.92 63.1 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 34' ' ' CYS . 24.5 Cg_exo -63.52 -19.41 67.68 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.849 2.366 . . . . 0.0 113.795 -172.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.433 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 5.2 p30 -86.36 -36.5 19.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -175.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 3.6 p -118.86 -6.05 10.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.927 0.394 . . . . 0.0 111.485 -177.237 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 59.95 21.31 10.35 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.75 0.82 . . . . 0.0 111.844 177.026 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.467 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 78.2 mt-30 -109.33 157.15 38.03 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 16.7 Cg_endo -57.13 147.64 74.36 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.137 2.558 . . . . 0.0 113.627 -174.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.46 HD13 ' HB3' ' A' ' 52' ' ' TYR . 90.7 mt -92.81 159.79 15.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.641 177.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -93.87 109.49 21.19 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 174.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.31 101.85 3.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.987 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 85.4 mt -76.78 87.95 3.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.589 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -96.55 90.28 5.3 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.491 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.67 10.77 37.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.136 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 80.0 m 71.3 -47.1 0.65 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.727 0.811 . . . . 0.0 111.214 -177.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.69 -55.89 15.47 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.538 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.04 136.26 51.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.668 0.27 . . . . 0.0 110.669 175.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 58.1 t -109.43 109.39 28.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.863 176.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -112.93 152.5 29.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.107 0.479 . . . . 0.0 111.41 -175.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.46 ' HB3' HD13 ' A' ' 41' ' ' LEU . 88.0 m-85 -108.64 106.37 16.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.969 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -113.82 131.09 56.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.629 -174.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.488 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 41.7 t -81.76 89.66 6.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -71.54 94.72 1.32 Allowed 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 172.13 -35.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.0 -1.455 . . . . 0.0 107.404 -169.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.89 57.75 0.18 Allowed Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.795 178.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.488 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 23.7 m170 -137.16 -3.62 1.96 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 117.004 0.402 . . . . 0.0 111.282 174.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.28 -148.25 35.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.091 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mp -99.56 147.39 25.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.901 0.381 . . . . 0.0 110.31 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.623 HD11 ' SG ' ' A' ' 34' ' ' CYS . 44.4 mt -107.55 144.68 15.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.193 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.2 m -57.13 131.16 49.11 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -53.36 -39.48 64.2 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.813 -174.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -90.14 6.89 40.66 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -176.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -116.82 -5.76 11.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.942 0.401 . . . . 0.0 110.599 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.43 146.42 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.992 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -78.27 105.71 9.69 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.523 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 65.4 m-85 -100.11 110.36 22.65 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.563 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.3 m -100.93 153.69 4.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.161 175.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.9 mt -70.01 118.1 12.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.493 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.197 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.043 -178.738 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 96.5 mt . . . . . 0 C--O 1.232 0.173 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.496 ' HB3' ' OE1' ' A' ' 9' ' ' GLN . 63.2 m80 -124.78 162.09 25.04 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.967 0.413 . . . . 0.0 110.808 -175.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 61.2 m -80.63 150.55 70.07 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.001 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -86.98 12.08 3.08 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.799 2.333 . . . . 0.0 112.022 175.283 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -149.12 -69.4 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.743 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.652 ' SG ' ' HB2' ' A' ' 24' ' ' CYS . 26.6 p -98.71 72.59 1.99 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.559 0.695 . . . . 0.0 109.323 -178.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.496 ' OE1' ' HB3' ' A' ' 4' ' ' HIS . 17.8 mm-40 -35.0 107.47 0.05 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 113.447 -1.706 . . . . 0.0 113.353 178.252 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 47.3 t-80 -155.05 -79.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.445 174.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 3' ' ' LEU . 11.9 p -173.72 145.62 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.585 178.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 21' ' ' CYS . 97.8 mt -94.73 109.67 21.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.607 174.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.648 ' HB2' ' HB2' ' A' ' 22' ' ' ARG . 15.6 t70 -104.76 86.73 2.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.206 0.527 . . . . 0.0 109.673 -178.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -72.52 131.38 42.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.386 0.612 . . . . 0.0 111.047 -173.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -94.32 -58.1 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.779 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -167.91 107.14 0.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.29 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.98 -41.06 2.99 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.075 175.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.506 ' HB2' ' O ' ' A' ' 28' ' ' ILE . 14.7 p80 -124.18 169.99 11.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.574 -0.368 . . . . 0.0 110.861 -178.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.85 110.41 22.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.354 0.597 . . . . 0.0 111.208 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -99.01 102.88 14.76 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.341 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.609 ' SG ' ' HB2' ' A' ' 26' ' ' GLU . 30.2 p -68.72 114.6 7.22 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.663 -177.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.648 ' HB2' ' HB2' ' A' ' 13' ' ' ASP . 26.2 ttt180 -61.64 128.62 37.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.895 -167.318 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.2 m 74.65 -33.62 0.25 Allowed 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.961 -1.018 . . . . 0.0 113.12 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.652 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 2.0 p -94.21 4.01 54.47 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -174.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.51 -57.5 0.55 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 159.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.609 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 9.5 mt-10 -43.46 123.35 3.0 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -170.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -97.97 95.21 7.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.729 170.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.506 ' O ' ' HB2' ' A' ' 18' ' ' HIS . 76.1 mt -97.14 145.79 8.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.315 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.487 ' HA ' ' HB2' ' A' ' 18' ' ' HIS . 38.0 mt-10 -104.22 148.12 26.69 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.547 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 89.7 mmm -114.22 151.58 32.56 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.586 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.489 ' HB3' HG23 ' A' ' 69' ' ' VAL . 25.3 ttpt -118.48 116.3 26.39 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.942 -175.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.48 118.56 25.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.738 -174.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 40' ' ' PRO . 86.4 mt -119.29 148.1 43.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.409 177.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.551 ' HB2' HD21 ' A' ' 41' ' ' LEU . 42.1 t -77.86 126.41 84.11 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.648 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -56.92 -34.24 96.79 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 122.794 2.329 . . . . 0.0 113.928 -171.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.47 ' OD2' ' HE1' ' A' ' 58' ' ' HIS . 0.7 OUTLIER -78.74 -33.53 46.57 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -172.739 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -125.33 -14.8 6.37 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -170.714 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.7 m170 60.24 22.57 11.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.914 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -70.05 135.4 87.3 Favored Pre-proline 0 N--CA 1.451 -0.424 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 169.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.427 ' HA ' HD23 ' A' ' 33' ' ' LEU . 31.4 Cg_exo -59.32 119.18 6.27 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.577 2.185 . . . . 0.0 111.278 176.461 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.551 HD21 ' HB2' ' A' ' 34' ' ' CYS . 69.9 mt -71.24 138.95 49.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.175 0.512 . . . . 0.0 111.292 -176.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.465 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 6.0 tp60 -81.65 126.1 31.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.069 177.608 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.4 t -80.04 99.96 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.718 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 50.0 mt -82.65 122.15 27.75 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.892 -174.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.419 ' HG2' HG22 ' A' ' 50' ' ' VAL . 53.5 mttt -103.99 87.66 2.83 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 165.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.23 92.03 8.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.188 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.7 t 68.79 -69.4 0.16 Allowed 'General case' 0 CA--C 1.533 0.29 0 O-C-N 124.033 0.833 . . . . 0.0 111.042 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -146.2 8.37 1.44 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.223 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.52 139.41 49.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.78 -0.247 . . . . 0.0 110.716 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.718 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 89.3 t -114.29 113.91 45.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 -178.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -131.76 -171.95 2.74 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -177.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -124.99 132.43 53.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.128 0.49 . . . . 0.0 111.011 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.515 ' HB2' HD11 ' A' ' 44' ' ' LEU . 38.9 t80 -118.57 131.0 56.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.564 -174.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.1 t -109.87 103.13 11.88 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.804 173.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.72 102.7 6.33 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 171.9 28.64 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.445 -1.252 . . . . 0.0 109.055 -176.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.39 21.4 79.63 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.586 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.47 ' HE1' ' OD2' ' A' ' 36' ' ' ASP . 53.5 m170 -109.19 -33.19 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 0.0 110.471 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.53 -135.92 31.44 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.334 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.7 mt -68.26 121.52 16.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.966 0.412 . . . . 0.0 111.32 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.4 mm -97.72 131.02 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.58 176.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.582 ' HB2' ' HD3' ' A' ' 65' ' ' ARG . 5.7 m -55.9 127.62 31.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.314 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -65.05 -22.02 66.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.47 -173.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -85.89 -4.0 59.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.082 0.468 . . . . 0.0 111.037 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.582 ' HD3' ' HB2' ' A' ' 62' ' ' SER . 65.0 mtp180 -115.61 5.77 14.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.702 -177.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.479 HG13 HD12 ' A' ' 41' ' ' LEU . 96.9 t -74.71 136.71 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.46 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -87.77 102.43 14.66 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -91.89 110.98 22.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.24 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.489 HG23 ' HB3' ' A' ' 31' ' ' LYS . 31.5 m -104.95 -174.69 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.22 144.31 28.21 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.41 -0.805 . . . . 0.0 110.726 178.682 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.9 mp . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -117.16 144.3 44.88 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 9' ' ' GLN . 2.4 m -74.49 141.73 76.94 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 174.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -70.14 -42.52 2.95 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 121.867 1.711 . . . . 0.0 112.178 176.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -91.45 -68.08 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.332 0.587 . . . . 0.0 110.492 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.429 ' C ' ' HB2' ' A' ' 5' ' ' CYS . 20.3 p -84.9 56.73 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.033 178.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 8.5 pt20 -48.77 100.72 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.747 1.018 . . . . 0.0 113.747 -171.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.616 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 18.1 m80 -158.42 -172.33 3.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.126 174.116 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.6 t -68.19 129.92 33.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.148 0.499 . . . . 0.0 112.138 -176.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 mt -110.31 135.29 51.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.444 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -108.54 105.28 14.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -91.72 102.9 15.52 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.29 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -101.54 -86.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.912 -172.599 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -126.24 86.32 2.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.183 0.516 . . . . 0.0 110.43 -176.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.48 -35.62 2.64 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.17 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -112.67 138.69 49.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.75 112.32 23.92 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.664 0.269 . . . . 0.0 110.343 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -107.55 133.91 51.33 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.475 0.655 . . . . 0.0 110.481 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.625 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 12.8 m -61.91 139.07 58.41 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.334 177.11 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -88.01 -62.27 1.53 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.089 0.471 . . . . 0.0 110.125 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.5 ' HB2' ' HB3' ' A' ' 10' ' ' HIS . 0.7 OUTLIER -63.96 -48.63 75.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.826 -175.388 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.661 ' HB2' ' OE2' ' A' ' 26' ' ' GLU . 1.2 p -88.51 -33.9 17.6 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -176.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.403 ' H ' ' HB2' ' A' ' 21' ' ' CYS . . . 103.62 -18.47 47.47 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 120.351 -0.928 . . . . 0.0 115.271 169.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.661 ' OE2' ' HB2' ' A' ' 24' ' ' CYS . 18.5 mp0 -60.25 158.93 10.65 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 117.947 0.873 . . . . 0.0 111.103 -177.525 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -115.51 129.86 56.68 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 174.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.1 mt -116.43 129.52 72.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.642 -176.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -87.17 144.52 26.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 68.0 mtp -126.81 149.49 49.66 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.001 0.429 . . . . 0.0 110.988 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -108.98 130.7 55.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.218 -175.577 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.4 119.46 31.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.832 0.349 . . . . 0.0 111.152 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.4 mt -113.13 139.8 48.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.507 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.517 ' HB2' HD21 ' A' ' 41' ' ' LEU . 49.8 t -76.36 118.78 73.84 Favored Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.72 -43.41 40.3 Favored 'Trans proline' 0 N--CA 1.477 0.546 0 C-N-CA 123.166 2.577 . . . . 0.0 114.021 -171.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -72.25 0.15 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -178.237 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -74.69 -14.67 60.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.932 0.396 . . . . 0.0 111.612 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.72 18.29 10.51 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.951 0.9 . . . . 0.0 111.976 178.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.419 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 74.4 mt-30 -105.98 157.0 35.76 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.163 176.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 21.5 Cg_endo -60.3 156.36 41.1 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.231 2.62 . . . . 0.0 113.695 -174.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.56 HD13 ' HB3' ' A' ' 52' ' ' TYR . 89.1 mt -99.33 150.83 21.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.109 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -79.34 113.35 17.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.541 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.7 t -74.35 109.64 7.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.947 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 53' ' ' PHE . 87.5 mt -86.29 91.65 8.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.637 -178.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -84.39 87.51 7.22 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 174.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.18 -169.93 1.84 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.781 -176.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.0 m -75.33 86.93 2.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.988 0.423 . . . . 0.0 111.204 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.76 -7.01 82.63 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.553 176.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.96 131.38 51.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.799 0.333 . . . . 0.0 110.775 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 59.7 t -123.79 115.91 46.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 177.652 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -133.67 -173.8 3.34 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.281 -176.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.56 ' HB3' HD13 ' A' ' 41' ' ' LEU . 84.9 m-85 -129.11 118.26 22.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.437 0.636 . . . . 0.0 111.551 -175.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.563 ' HB2' HD11 ' A' ' 44' ' ' LEU . 88.4 t80 -107.18 132.23 53.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.077 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 51.7 t -80.86 89.25 5.84 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.508 ' O ' ' HB2' ' A' ' 56' ' ' HIS . 5.5 tm0? -75.8 101.51 5.12 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 2.1 t-80 164.44 -27.84 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 113.947 -1.479 . . . . 0.0 107.862 -170.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.82 51.87 0.25 Allowed Glycine 0 C--N 1.333 0.367 0 CA-C-N 115.183 -0.917 . . . . 0.0 113.119 175.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.58 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 37.2 m170 -132.13 -8.85 3.41 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 117.204 0.502 . . . . 0.0 111.42 175.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.03 -161.97 38.41 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.065 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.95 150.79 28.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 117.223 0.511 . . . . 0.0 110.377 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.0 mm -120.21 144.05 30.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.681 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.5 m -65.51 121.24 14.45 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.531 ' HB3' ' HD2' ' A' ' 52' ' ' TYR . 14.5 pttm -73.19 -5.75 41.3 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -172.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' A' ' 64' ' ' LYS . 46.7 mtpt -100.63 6.57 44.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.173 0.511 . . . . 0.0 110.222 171.385 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 65' ' ' ARG . 13.1 ttt180 -124.0 14.45 9.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.609 0.719 . . . . 0.0 109.453 -177.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.0 p -98.3 155.07 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.338 -176.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -93.63 116.73 29.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.802 0.334 . . . . 0.0 110.112 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -97.23 130.41 44.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.021 0.439 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.1 m -121.13 179.59 2.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.573 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.5 mt -78.24 143.9 36.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.709 0.29 . . . . 0.0 110.819 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.756 -0.64 . . . . 0.0 110.0 176.544 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -117.21 156.06 28.35 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 2.9 p -93.5 114.47 63.02 Favored Pre-proline 0 C--O 1.216 -0.692 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.832 -174.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 36.8 Cg_exo -60.83 -18.54 57.1 Favored 'Trans proline' 0 N--CA 1.474 0.372 0 C-N-CA 122.896 2.398 . . . . 0.0 113.267 -175.451 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -83.94 -36.44 23.26 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -176.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.479 ' SG ' ' OE2' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -135.39 2.44 2.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -173.438 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 45.89 84.05 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.571 1.148 . . . . 0.0 113.692 175.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -162.28 -177.94 6.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.767 171.77 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.4 p -72.36 134.99 28.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.504 0.669 . . . . 0.0 112.474 -173.513 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.706 HD21 HD12 ' A' ' 28' ' ' ILE . 18.0 mt -104.7 50.38 0.79 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.121 174.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.56 101.5 1.01 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.966 0.412 . . . . 0.0 109.94 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.552 ' HB3' ' HA ' ' A' ' 19' ' ' ALA . 10.1 pt20 -87.16 144.87 26.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.265 -176.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.61 -52.9 8.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.53 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -169.15 101.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.063 177.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.24 -53.52 4.78 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.54 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -88.69 124.89 34.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.699 0.285 . . . . 0.0 110.697 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.552 ' HA ' ' HB3' ' A' ' 14' ' ' GLN . . . -96.45 152.82 18.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.437 178.244 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -142.95 140.58 31.17 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.044 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.69 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 86.7 m -69.25 92.78 0.58 Allowed 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 170.835 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -60.51 -48.53 81.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.766 0.317 . . . . 0.0 111.225 -172.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -71.14 -36.82 72.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.26 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.69 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 2.3 m -79.5 -49.41 12.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.216 -174.379 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.26 -30.27 5.87 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.709 -177.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.535 ' OE2' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -75.1 156.82 35.64 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.949 0.404 . . . . 0.0 111.633 -175.004 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -99.19 151.74 20.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.458 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.706 HD12 HD21 ' A' ' 12' ' ' LEU . 51.2 mt -137.17 120.12 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 0.0 110.223 176.267 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -74.88 139.63 43.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.498 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 83.7 mtp -128.13 155.17 44.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.187 177.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -118.84 138.16 52.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.137 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.443 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -92.71 119.1 31.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.702 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.0 mt -126.67 160.81 29.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.078 0.465 . . . . 0.0 111.251 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.493 ' HB2' HD21 ' A' ' 41' ' ' LEU . 48.3 t -77.65 124.49 86.54 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 172.541 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -50.81 -41.54 54.6 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.418 2.745 . . . . 0.0 113.433 -174.636 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.0 -78.35 0.1 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -177.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 p -72.09 -14.54 61.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -173.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.3 m80 59.05 25.05 13.39 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.297 0.57 . . . . 0.0 111.628 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -89.86 152.61 46.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.062 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -60.52 130.15 32.42 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.866 2.378 . . . . 0.0 112.062 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.527 HD13 ' HB3' ' A' ' 52' ' ' TYR . 97.5 mt -80.53 142.54 34.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.375 178.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -83.67 122.35 28.5 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.818 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.0 t -74.44 110.72 9.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.262 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.6 mt -87.43 106.53 18.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.349 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -94.77 93.46 7.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.513 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.0 -176.45 3.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.158 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.6 p -83.01 81.74 8.54 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.203 0.525 . . . . 0.0 110.763 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.74 -38.65 2.38 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.952 177.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.19 146.37 50.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.178 0.513 . . . . 0.0 111.858 -173.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.4 t -117.07 128.14 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.748 177.598 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -125.39 167.87 14.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.998 0.427 . . . . 0.0 110.89 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.527 ' HB3' HD13 ' A' ' 41' ' ' LEU . 45.0 m-85 -114.02 114.25 25.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.202 -175.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -101.01 130.72 47.05 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.831 -176.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.587 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 50.8 t -87.24 89.52 8.03 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -67.54 95.24 0.46 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.872 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 172.22 -40.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.446 -1.252 . . . . 0.0 108.384 -175.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.09 46.07 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.724 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.587 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 35.8 m170 -126.94 -1.15 6.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 117.006 0.403 . . . . 0.0 111.14 176.729 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.42 -135.39 22.22 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.241 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.4 mt -96.66 132.01 42.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.075 0.464 . . . . 0.0 111.112 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.4 mm -95.14 128.61 46.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.206 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.6 m -56.94 142.67 40.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.541 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -57.21 -38.22 73.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.985 -171.766 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -84.79 -9.63 57.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.936 0.398 . . . . 0.0 110.609 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -89.43 -16.35 31.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.5 -177.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.443 HG11 ' HB1' ' A' ' 32' ' ' ALA . 96.3 t -58.56 129.86 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.389 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -87.78 109.74 19.96 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -91.27 112.01 23.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.378 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.1 m -104.2 169.53 2.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.9 mt -82.06 148.72 28.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.561 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.337 177.089 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.1 tp . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -80.87 151.34 28.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.63 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.514 ' HB2' ' N ' ' A' ' 9' ' ' GLN . 55.6 m -74.73 125.62 89.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.875 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.81 -42.15 71.47 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.516 2.144 . . . . 0.0 112.105 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -92.77 -68.68 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.019 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.431 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -79.79 13.62 2.07 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -170.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.514 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 33.8 mm-40 68.57 -69.8 0.14 Allowed 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 168.22 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -46.3 -97.19 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -160.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.2 t -143.52 140.75 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 O-C-N 121.75 -0.594 . . . . 0.0 111.881 -170.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.434 HD21 HD12 ' A' ' 28' ' ' ILE . 96.0 mt -106.22 163.96 12.39 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.391 173.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.651 ' HB2' ' HG2' ' A' ' 22' ' ' ARG . 36.2 t70 -139.54 108.1 5.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.099 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -103.3 130.01 50.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.234 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -136.06 -78.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.252 171.769 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -93.11 49.65 1.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.929 -176.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.45 -37.79 2.25 Favored Glycine 0 CA--C 1.517 0.168 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.445 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -79.99 143.13 34.39 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.767 -0.255 . . . . 0.0 110.376 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.64 107.86 16.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.486 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.425 ' CD ' ' HD1' ' A' ' 27' ' ' PHE . 46.7 mmm-85 -95.99 127.81 42.33 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.941 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.652 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 99.1 m -74.13 90.0 2.02 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.17 176.165 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.651 ' HG2' ' HB2' ' A' ' 13' ' ' ASP . 12.5 ptt180 -82.32 57.47 3.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.85 0.833 . . . . 0.0 109.994 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.4 m -165.28 -54.62 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.372 -1.285 . . . . 0.0 108.491 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.652 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.1 OUTLIER -93.82 -51.71 4.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.913 178.781 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.25 -22.35 3.4 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 120.349 -0.929 . . . . 0.0 114.584 173.597 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.581 ' OE2' ' HB2' ' A' ' 24' ' ' CYS . 9.8 mp0 -56.92 156.18 7.08 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -172.277 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.425 ' HD1' ' CD ' ' A' ' 20' ' ' ARG . 51.0 t80 -110.1 112.92 25.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.986 -1.007 . . . . 0.0 109.571 172.353 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.434 HD12 HD21 ' A' ' 12' ' ' LEU . 64.5 mt -116.05 139.77 41.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.919 0.39 . . . . 0.0 110.125 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -114.96 134.88 54.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.981 0.419 . . . . 0.0 110.19 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.469 ' HG2' HD23 ' A' ' 70' ' ' LEU . 74.3 mtp -113.84 119.19 36.48 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -74.52 131.95 41.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.415 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -90.16 101.47 14.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.965 175.436 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.4 mt -111.41 162.05 15.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.741 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.49 ' HB2' HD21 ' A' ' 41' ' ' LEU . 40.5 t -78.55 111.11 16.71 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.438 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 53.2 Cg_exo -56.25 -23.6 46.53 Favored 'Trans proline' 0 N--CA 1.476 0.485 0 C-N-CA 123.414 2.742 . . . . 0.0 114.117 -171.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.466 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -75.51 -24.0 56.77 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.615 0.245 . . . . 0.0 111.371 -176.884 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.8 p -135.25 -11.83 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -175.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.1 m80 59.88 23.93 12.97 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 122.827 0.451 . . . . 0.0 111.381 -176.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -96.38 150.82 37.58 Favored Pre-proline 0 C--O 1.237 0.432 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -56.96 139.75 90.5 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 123.209 2.606 . . . . 0.0 113.502 -177.277 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.549 HD13 ' HB3' ' A' ' 52' ' ' TYR . 52.5 mt -92.13 152.28 19.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.905 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -95.57 113.67 25.34 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 174.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.6 t -75.8 101.6 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.368 -175.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.541 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 78.0 mt -87.58 89.19 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.72 176.521 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -112.36 112.07 23.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.558 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.49 -49.26 7.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.678 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.5 t -162.8 -74.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.74 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.47 -18.44 11.88 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 177.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.52 138.53 33.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.378 -0.411 . . . . 0.0 110.347 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.5 p -138.44 124.75 25.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.131 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.541 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 6.1 m-20 -113.78 134.99 54.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.126 -178.387 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.549 ' HB3' HD13 ' A' ' 41' ' ' LEU . 82.3 m-85 -89.16 102.33 14.98 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.134 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -100.66 116.81 33.45 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.481 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 41.8 t -78.25 88.76 4.3 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -71.9 94.98 1.49 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.523 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 177.47 -31.3 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.146 -1.388 . . . . 0.0 108.073 -173.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.76 49.66 0.19 Allowed Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.415 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.537 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 39.3 m170 -128.97 -26.94 2.57 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.957 0.378 . . . . 0.0 111.275 177.797 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.13 -155.39 18.63 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.919 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 51' ' ' ASP . 96.1 mt -91.09 137.81 32.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.08 0.467 . . . . 0.0 111.563 -176.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 46.2 mm -113.26 140.56 32.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.025 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.7 m -69.56 161.18 30.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.173 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.447 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . 62.1 tttm -76.84 -24.23 52.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.159 0.504 . . . . 0.0 110.31 -178.143 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -84.08 -7.2 59.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.505 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 35' ' ' PRO . 32.8 ttm180 -118.31 24.82 10.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.42 -170.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.415 HG21 ' HB1' ' A' ' 32' ' ' ALA . 13.9 p -98.87 153.65 4.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.647 -177.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -97.81 123.88 41.95 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -107.34 112.0 24.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.773 0.321 . . . . 0.0 110.468 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.9 m -112.94 142.85 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.913 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.469 HD23 ' HG2' ' A' ' 30' ' ' MET . 95.2 mt -72.99 135.62 44.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.484 -0.769 . . . . 0.0 110.279 175.883 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.5 mt . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.939 0.399 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -114.4 162.73 16.27 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.576 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 6.3 t -82.85 103.78 2.87 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -176.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -45.95 -41.62 20.6 Favored 'Trans proline' 0 N--CA 1.476 0.493 0 C-N-CA 123.672 2.915 . . . . 0.0 114.839 -165.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -76.31 -45.82 30.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -172.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.3 p -104.97 -4.69 21.77 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -173.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.457 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 16.0 mm-40 46.51 73.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 123.759 0.824 . . . . 0.0 112.371 -176.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -138.11 166.25 24.59 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.768 175.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.4 131.62 30.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.325 0.583 . . . . 0.0 111.724 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.486 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 82.4 mt -97.97 101.43 12.91 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 168.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.93 109.73 2.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.817 0.342 . . . . 0.0 111.491 -176.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -77.06 95.6 4.24 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 171.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -106.02 -89.79 0.43 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.372 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -136.4 115.83 12.74 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.39 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.48 -67.65 2.77 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.3 174.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.465 ' HB3' ' HA ' ' A' ' 29' ' ' GLU . 23.8 m-70 -127.45 170.94 12.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.048 0.424 . . . . 0.0 111.031 -175.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.486 ' HB1' ' HB3' ' A' ' 12' ' ' LEU . . . -97.59 147.16 24.57 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.47 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.562 ' HA ' ' HD1' ' A' ' 27' ' ' PHE . 41.4 mtp180 -130.79 131.07 44.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.551 -177.362 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 t -103.93 94.89 5.65 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.472 ' O ' ' HB2' ' A' ' 23' ' ' SER . 2.8 ptp85 -68.5 88.9 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.508 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.472 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 34.0 t 171.08 -58.14 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.53 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.891 ' SG ' ' HB3' ' A' ' 26' ' ' GLU . 9.0 p -94.02 -14.32 25.98 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -169.007 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.48 2.53 63.83 Favored Glycine 0 C--O 1.229 -0.182 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -172.009 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.891 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -95.28 104.58 16.48 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.233 -0.984 . . . . 0.0 108.874 -179.627 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.562 ' HD1' ' HA ' ' A' ' 20' ' ' ARG . 61.7 m-85 -109.3 140.18 43.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.499 -174.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.489 HG21 HD22 ' A' ' 70' ' ' LEU . 43.0 mm -106.77 111.8 37.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 0.6 OUTLIER -71.63 119.2 15.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.432 0.634 . . . . 0.0 110.124 -178.424 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.498 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 46.4 mtt -85.08 113.87 21.8 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.588 174.2 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' A' ' 31' ' ' LYS . 4.2 ttmp? -87.07 130.56 34.44 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.81 -178.155 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.471 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -81.32 103.15 10.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.624 -174.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.9 mt -109.9 155.37 21.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.816 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.456 ' HB2' HD21 ' A' ' 41' ' ' LEU . 42.3 t -76.92 131.41 73.31 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.8 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.82 -34.75 66.84 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 123.124 2.549 . . . . 0.0 113.244 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.32 -82.78 0.19 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.529 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 p -64.52 -19.42 65.59 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -175.466 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.448 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 19.5 m170 64.35 18.05 11.11 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 177.44 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.442 HE21 ' HB3' ' A' ' 39' ' ' GLN . 20.9 mt-30 -80.58 146.69 61.49 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 171.418 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -59.16 124.48 15.71 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.721 2.281 . . . . 0.0 111.432 176.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' A' ' 34' ' ' CYS . 79.9 mt -66.95 142.8 57.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.073 -177.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -73.89 115.55 13.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.933 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.6 t -74.04 97.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.463 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.517 HD11 ' HB2' ' A' ' 53' ' ' PHE . 70.2 mt -83.36 95.98 8.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.35 -179.048 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -90.35 92.46 8.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.056 0.455 . . . . 0.0 109.887 176.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.15 84.69 4.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.037 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 61.7 m 66.06 -78.55 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.38 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -123.99 -5.86 7.29 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.383 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.62 148.62 26.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.58 0.229 . . . . 0.0 110.777 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 66.8 t -127.74 115.36 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.773 0.321 . . . . 0.0 110.689 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -114.65 160.69 19.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.362 178.399 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.438 ' HB3' HD13 ' A' ' 41' ' ' LEU . 91.6 m-85 -117.35 109.36 16.72 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 176.473 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.517 ' HB2' HD11 ' A' ' 44' ' ' LEU . 56.3 t80 -107.07 134.88 49.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.918 0.39 . . . . 0.0 111.331 -175.588 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 42.8 t -94.42 93.06 7.45 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 175.504 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -68.45 95.34 0.61 Allowed 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.471 0.653 . . . . 0.0 109.745 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 176.01 -28.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.017 -1.447 . . . . 0.0 108.074 -174.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.69 33.25 1.02 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.817 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.449 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 38.4 m170 -110.19 -3.28 16.41 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.402 -0.469 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.32 -164.59 35.03 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.825 175.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.85 120.65 34.38 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.449 HG23 ' HB3' ' A' ' 65' ' ' ARG . 70.0 mt -92.5 124.56 44.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.785 -176.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.8 m -69.36 160.89 30.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.015 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -62.96 -21.12 65.87 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -175.095 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -96.57 -8.42 31.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.881 0.372 . . . . 0.0 110.74 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.449 ' HB3' HG23 ' A' ' 61' ' ' ILE . 32.5 ttt180 -103.84 -6.15 21.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.225 0.536 . . . . 0.0 110.263 -172.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.471 HG21 ' HB1' ' A' ' 32' ' ' ALA . 7.2 p -87.3 151.14 3.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.602 -177.496 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -92.54 115.42 28.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.498 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 45.4 m-85 -93.51 123.47 36.84 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.65 178.224 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 30' ' ' MET . 33.4 m -110.55 160.4 9.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.005 175.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.489 HD22 HG21 ' A' ' 28' ' ' ILE . 60.3 mt -84.48 93.39 8.31 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.975 -179.04 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.723 ' HB3' ' OE1' ' A' ' 9' ' ' GLN . 35.7 m80 -103.99 160.53 14.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.154 0.502 . . . . 0.0 111.547 -174.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.46 ' HB3' ' OE1' ' A' ' 26' ' ' GLU . 4.3 m -96.53 133.89 24.09 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.461 178.188 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -66.19 -31.61 44.4 Favored 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 122.251 1.967 . . . . 0.0 112.455 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -97.55 -49.13 5.0 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.521 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 15.2 p -120.38 76.84 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.321 0.581 . . . . 0.0 110.361 -177.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.723 ' OE1' ' HB3' ' A' ' 4' ' ' HIS . 16.9 mm-40 -46.64 112.57 0.52 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.603 -1.181 . . . . 0.0 112.975 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -165.95 -78.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.077 172.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -170.4 143.32 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.171 0.51 . . . . 0.0 111.31 177.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.3 mt -105.21 140.05 38.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.099 172.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.644 ' HB2' ' HB2' ' A' ' 22' ' ' ARG . 38.7 t70 -94.28 141.88 28.05 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -121.4 103.26 8.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.907 0.384 . . . . 0.0 111.43 -175.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -119.04 -35.21 3.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.444 0.64 . . . . 0.0 109.944 174.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASN . . . . . 0.403 ' C ' ' H ' ' A' ' 18' ' ' HIS . 31.1 m-80 -131.79 -164.1 1.41 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.054 176.013 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.69 30.0 2.59 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.275 174.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.403 ' H ' ' C ' ' A' ' 16' ' ' ASN . 62.7 m-70 -131.97 120.72 22.85 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.01 100.28 12.96 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.219 0.533 . . . . 0.0 110.816 -175.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -99.31 129.05 45.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.215 177.15 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.535 ' HB2' ' H ' ' A' ' 26' ' ' GLU . 58.3 m -69.64 106.97 3.24 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.644 ' HB2' ' HB2' ' A' ' 13' ' ' ASP . 0.6 OUTLIER -81.18 47.07 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.467 0.651 . . . . 0.0 109.266 176.396 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.3 p -174.88 -73.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.868 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -69.65 -19.07 63.62 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -175.304 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.6 29.82 46.91 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.668 -0.777 . . . . 0.0 113.793 174.414 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.535 ' H ' ' HB2' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -103.3 151.66 22.44 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 177.473 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -115.06 125.42 53.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.004 0.43 . . . . 0.0 110.758 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 57.9 mt -132.48 147.7 31.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.518 ' HG3' ' HB3' ' A' ' 71' ' ' ALA . 10.0 pt-20 -117.13 148.38 41.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.061 0.458 . . . . 0.0 110.194 174.498 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.457 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 77.9 mtp -108.71 112.05 24.14 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 177.331 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.507 ' HE2' HD21 ' A' ' 33' ' ' LEU . 80.9 tttt -74.17 119.37 18.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.452 -171.074 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.45 96.33 6.03 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.927 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.507 HD21 ' HE2' ' A' ' 31' ' ' LYS . 84.7 mt -110.24 160.54 16.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.975 -178.278 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.512 ' HB2' HD21 ' A' ' 41' ' ' LEU . 45.3 t -87.74 120.36 70.91 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 172.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -56.18 -21.66 36.62 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 123.297 2.664 . . . . 0.0 114.232 -171.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -92.51 -13.79 29.33 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -176.052 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.46 ' SG ' ' HB3' ' A' ' 34' ' ' CYS . 3.6 p -140.47 -2.22 1.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -176.447 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 52.2 13.32 0.27 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.386 1.074 . . . . 0.0 113.232 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.413 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 21.7 mt-30 -89.15 147.12 37.74 Favored Pre-proline 0 C--O 1.238 0.475 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 39' ' ' GLN . 32.1 Cg_exo -59.02 127.35 23.92 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 123.141 2.561 . . . . 0.0 112.189 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.545 HD13 ' HB3' ' A' ' 52' ' ' TYR . 88.7 mt -70.27 133.76 47.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.542 177.601 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -66.2 109.2 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.786 178.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.07 101.58 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.102 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.479 HD12 ' HB2' ' A' ' 51' ' ' ASP . 84.1 mt -77.83 86.47 4.07 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.803 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -90.49 92.22 8.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.372 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.79 20.67 16.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.628 -173.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.7 m 66.53 88.68 0.11 Allowed 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.66 0.6 . . . . 0.0 111.016 -178.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.8 -24.58 30.26 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.524 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.41 136.01 54.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.469 -0.365 . . . . 0.0 110.033 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.3 t -135.97 114.03 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 123.326 0.391 . . . . 0.0 110.386 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.479 ' HB2' HD12 ' A' ' 44' ' ' LEU . 44.9 m-20 -122.13 154.68 37.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.243 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.545 ' HB3' HD13 ' A' ' 41' ' ' LEU . 95.1 m-85 -107.79 109.84 21.5 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 177.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -106.48 133.88 50.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.923 0.392 . . . . 0.0 111.564 -174.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 44.3 t -111.63 103.18 11.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.492 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -74.77 94.87 2.8 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -179.96 23.89 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.759 -176.192 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.57 28.71 73.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.087 -175.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.4 m170 -111.53 -21.61 11.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.825 0.345 . . . . 0.0 110.824 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.31 -149.5 35.65 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.771 176.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 mp -86.63 130.22 34.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.032 0.444 . . . . 0.0 110.823 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.6 mm -102.11 126.1 56.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.256 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -62.79 142.75 58.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.097 177.648 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HA ' HG23 ' A' ' 66' ' ' VAL . 37.3 ttpt -63.01 -31.96 73.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.706 0.289 . . . . 0.0 111.747 -171.505 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -75.98 -13.11 60.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.103 0.477 . . . . 0.0 110.476 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -102.17 -0.07 33.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.41 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.471 HG23 ' HA ' ' A' ' 63' ' ' LYS . 89.0 t -74.34 139.82 18.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.459 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -86.11 104.73 15.97 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.531 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.457 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 96.0 m-85 -96.03 109.56 21.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.24 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.9 m -100.51 150.24 5.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.177 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.4 tp -82.03 107.16 14.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.208 -175.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.518 ' HB3' ' HG3' ' A' ' 29' ' ' GLU . . . . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.638 -178.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.825 0.345 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -112.97 153.17 28.46 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.165 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.558 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 15.8 t -74.84 117.76 65.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 178.719 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -45.66 -33.09 9.47 Favored 'Trans proline' 0 N--CA 1.475 0.402 0 C-N-CA 123.656 2.904 . . . . 0.0 114.452 -170.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -90.87 -73.62 0.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.0 0.429 . . . . 0.0 111.392 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.9 p -85.33 2.27 44.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.445 -171.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 17.0 mm-40 62.37 -103.74 0.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.96 0.504 . . . . 0.0 111.563 -178.686 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 52.6 -92.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.061 0.544 . . . . 0.0 111.046 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.8 p -178.4 146.65 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.476 HD13 ' HB1' ' A' ' 19' ' ' ALA . 51.7 mt -97.7 99.82 11.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.154 174.681 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -89.18 91.05 8.63 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 175.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -73.16 126.79 30.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.352 -170.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -65.98 -57.58 7.47 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.972 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -173.03 -58.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.228 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.43 15.43 15.03 Favored Glycine 0 C--O 1.228 -0.251 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.355 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -136.99 139.2 41.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.558 0.218 . . . . 0.0 110.575 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.476 ' HB1' HD13 ' A' ' 12' ' ' LEU . . . -92.55 90.33 7.1 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 172.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 ttm105 -101.53 117.88 35.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.376 0.608 . . . . 0.0 111.412 -173.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.436 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 48.9 t -84.54 90.08 7.57 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.062 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.44 ' O ' ' HB2' ' A' ' 23' ' ' SER . 41.6 mtt180 -64.35 89.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.513 -176.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 31.6 t 170.47 -53.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.279 -176.266 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.825 ' SG ' ' HB3' ' A' ' 26' ' ' GLU . 18.6 p -93.62 -16.63 24.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.798 -173.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.04 -37.8 3.08 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -172.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.825 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 2.6 tt0 -48.13 107.01 0.11 Allowed 'General case' 0 C--O 1.239 0.502 0 C-N-CA 124.076 0.95 . . . . 0.0 111.124 172.017 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -126.83 135.38 50.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.368 177.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 29' ' ' GLU . 54.3 mt -110.37 137.65 41.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.052 -173.478 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.433 ' O ' HG22 ' A' ' 28' ' ' ILE . 6.4 mp0 -72.94 155.62 39.68 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 173.278 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.0 mtp -121.94 136.35 54.92 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.761 ' HE3' ' HA ' ' A' ' 71' ' ' ALA . 96.7 mttt -84.47 122.13 28.55 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.179 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.31 94.73 7.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.261 178.012 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.2 mt -103.41 162.73 12.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.173 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.435 ' HB2' HD21 ' A' ' 41' ' ' LEU . 26.1 t -84.84 130.95 50.77 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 176.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -56.64 -34.9 96.76 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.887 2.391 . . . . 0.0 112.837 -175.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.74 -75.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.123 -177.537 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 p -74.38 -10.16 59.3 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -174.421 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 64.14 5.98 2.71 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -86.26 144.68 38.76 Favored Pre-proline 0 N--CA 1.446 -0.633 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.54 143.23 56.97 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.454 2.77 . . . . 0.0 113.342 -175.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.503 HD12 HG13 ' A' ' 66' ' ' VAL . 96.5 mt -91.83 137.4 32.39 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.245 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.476 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 35.9 tt0 -74.0 112.4 10.09 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 177.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.6 t -73.73 116.45 16.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.397 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.516 HD11 ' HB2' ' A' ' 53' ' ' PHE . 43.3 mt -107.04 92.77 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.329 -178.734 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -97.18 110.06 22.69 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.052 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.99 89.16 2.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.466 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.2 t 67.81 -71.54 0.1 Allowed 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.469 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -119.52 -44.47 0.47 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.714 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.49 156.61 22.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.91 0.386 . . . . 0.0 111.215 -178.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 7.4 p -138.38 135.0 44.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.396 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -123.57 170.81 10.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.009 0.433 . . . . 0.0 110.382 177.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.442 ' HB3' HD13 ' A' ' 41' ' ' LEU . 84.3 m-85 -124.39 113.71 18.54 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.516 ' HB2' HD11 ' A' ' 44' ' ' LEU . 52.7 t80 -104.33 118.23 36.12 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.865 -171.494 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 36.8 t -95.94 94.39 7.58 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.685 173.459 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -79.27 94.68 5.49 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -177.03 29.41 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.062 -175.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.18 18.07 77.08 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.361 -176.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 60.6 m170 -109.18 -56.59 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.91 -141.97 15.83 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.327 -0.94 . . . . 0.0 112.589 175.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.6 mt -73.68 119.33 17.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.974 0.416 . . . . 0.0 111.181 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.9 mm -93.61 136.64 24.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.631 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.8 t -62.21 140.88 58.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.385 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -64.36 -19.79 65.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -89.85 -11.53 41.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.694 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -113.43 15.64 19.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.291 0.567 . . . . 0.0 110.539 -172.004 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.503 HG13 HD12 ' A' ' 41' ' ' LEU . 57.7 t -81.35 143.06 12.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.277 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -82.37 102.07 11.01 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.471 ' CZ ' ' HB ' ' A' ' 66' ' ' VAL . 84.1 m-85 -94.58 102.84 14.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.993 -176.045 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.421 ' CG2' ' HB2' ' A' ' 31' ' ' LYS . 34.7 m -109.11 157.98 9.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.172 176.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.51 150.09 45.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.337 -0.392 . . . . 0.0 109.997 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.761 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.444 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -110.81 157.68 19.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.877 0.37 . . . . 0.0 111.511 -174.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.4 t -74.47 127.9 86.71 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.662 177.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -63.44 -18.37 64.25 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.437 2.092 . . . . 0.0 112.187 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -105.13 -81.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.701 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.0 p -92.31 70.73 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.474 0.654 . . . . 0.0 109.406 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -32.26 112.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 113.666 -1.606 . . . . 0.0 112.331 175.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -153.61 -82.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.445 -1.252 . . . . 0.0 108.578 -177.442 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p -176.93 144.3 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.066 176.403 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.0 mt -86.33 96.28 9.93 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.922 0.392 . . . . 0.0 110.272 176.252 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.572 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 14.2 t70 -66.56 105.18 1.44 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.236 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 19' ' ' ALA . 6.8 pt20 -112.14 135.77 52.38 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.074 0.464 . . . . 0.0 111.324 -174.544 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -148.7 146.94 28.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.529 -178.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 73.28 -44.01 0.57 Allowed 'General case' 0 N--CA 1.471 0.621 0 O-C-N 123.706 0.629 . . . . 0.0 112.109 177.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.78 1.05 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.375 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 -136.96 160.66 38.25 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.709 -0.289 . . . . 0.0 110.325 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . . . -100.47 162.81 12.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.093 0.473 . . . . 0.0 111.322 -176.318 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.572 ' HG2' ' O ' ' A' ' 13' ' ' ASP . 36.5 ptt180 -148.19 144.01 27.43 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.24 176.582 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.5 t -110.08 107.81 17.79 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 171.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 22' ' ' ARG . 50.2 mtp180 -60.37 -28.9 68.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.967 -173.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.1 t -82.93 -12.73 57.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.858 0.361 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.5 m -93.89 -68.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.394 0.616 . . . . 0.0 110.746 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.51 -19.81 11.37 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -168.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -75.91 138.08 40.8 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.249 -0.476 . . . . 0.0 110.833 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -110.21 138.31 46.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.261 173.322 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.3 mt -115.08 121.86 67.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.033 -172.78 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -71.55 123.02 21.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.875 0.369 . . . . 0.0 110.205 174.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 81.6 mtp -110.94 130.39 55.6 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 174.729 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -98.13 118.93 35.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.955 0.407 . . . . 0.0 110.929 -175.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.43 102.91 8.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.145 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.2 mt -100.02 163.19 12.54 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.89 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.517 ' HB2' HD21 ' A' ' 41' ' ' LEU . 44.0 t -91.97 115.78 65.25 Favored Pre-proline 0 C--N 1.316 -0.867 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 173.328 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.25 -36.42 77.82 Favored 'Trans proline' 0 N--CA 1.475 0.427 0 C-N-CA 122.988 2.459 . . . . 0.0 113.195 -173.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.449 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 1.8 p30 -83.25 2.53 35.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.829 -177.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.8 m -128.27 -35.07 2.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.819 0.343 . . . . 0.0 110.834 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.8 t60 67.55 14.01 9.45 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.099 0.959 . . . . 0.0 110.188 -174.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.435 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 76.8 mt-30 -110.24 156.11 40.75 Favored Pre-proline 0 C--O 1.237 0.419 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.759 175.445 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 32.1 Cg_endo -62.9 151.41 84.55 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.961 2.44 . . . . 0.0 113.543 -173.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 52' ' ' TYR . 95.5 mt -90.08 157.72 17.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.667 177.045 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.552 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 53.6 tt0 -89.04 130.36 35.51 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.745 177.212 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.7 t -79.1 117.28 24.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.128 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.52 HD11 ' HB2' ' A' ' 53' ' ' PHE . 85.1 mt -97.4 108.81 21.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.181 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -102.95 90.81 3.89 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 171.53 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.38 -81.42 0.57 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.948 0.404 . . . . 0.0 110.251 -173.147 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 32.3 m -86.55 -149.43 0.14 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 174.112 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.43 21.24 5.35 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.267 172.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.26 134.37 50.07 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -176.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.2 t -94.21 129.51 44.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.477 ' HB3' HD12 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -127.99 -177.13 4.01 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.439 -177.912 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.54 ' HB3' HD13 ' A' ' 41' ' ' LEU . 85.1 m-85 -131.37 126.49 35.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 111.196 -175.153 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.552 ' HB3' ' HB3' ' A' ' 42' ' ' GLN . 78.1 t80 -111.4 133.27 53.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.528 179.008 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 41.9 t -85.76 89.07 7.65 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -73.1 94.71 1.95 Allowed 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 173.79 -32.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.277 -174.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 130.93 45.2 0.16 Allowed Glycine 0 C--N 1.334 0.443 0 CA-C-N 115.461 -0.79 . . . . 0.0 113.481 176.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.576 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 30.4 m170 -131.51 -7.78 3.69 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 117.478 0.639 . . . . 0.0 111.845 177.383 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.52 -154.24 38.01 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.33 -0.938 . . . . 0.0 111.45 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.2 mp -75.02 140.85 43.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.922 0.391 . . . . 0.0 110.434 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.414 HG13 HD21 ' A' ' 41' ' ' LEU . 33.3 mm -101.89 139.16 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.086 0.469 . . . . 0.0 111.298 -175.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.81 147.04 52.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.302 179.275 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 63' ' ' LYS . 10.7 mptt -78.98 -17.15 55.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.915 0.388 . . . . 0.0 110.616 -177.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -89.45 -4.57 57.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.212 0.529 . . . . 0.0 110.035 173.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 65' ' ' ARG . 12.6 ttp180 -124.18 32.53 5.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.724 0.773 . . . . 0.0 109.668 -175.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.9 p -105.58 150.21 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.101 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -105.39 101.8 11.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.797 0.332 . . . . 0.0 110.168 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -87.26 112.31 21.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.737 0.303 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.4 m -107.4 145.71 14.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.919 0.39 . . . . 0.0 110.394 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.0 tt -86.72 122.5 30.71 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.827 -178.339 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 CA--C 1.52 -0.18 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' HIS . . . . . 0.476 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 37.8 m80 -112.71 156.79 22.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.886 0.374 . . . . 0.0 111.146 -177.534 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 8' ' ' CYS . 40.0 m -75.23 126.01 88.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.982 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.92 -46.31 34.59 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.747 2.298 . . . . 0.0 112.687 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -99.0 -59.73 1.67 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.38 0.61 . . . . 0.0 110.561 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 5' ' ' CYS . 8.6 p -86.55 61.56 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.503 -175.68 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -29.4 101.54 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.805 1.315 . . . . 0.0 113.514 -177.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.476 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 0.4 OUTLIER -169.45 -173.63 1.73 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.41 178.342 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.1 t -89.07 134.42 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.259 0.552 . . . . 0.0 111.868 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.423 HD21 HD12 ' A' ' 28' ' ' ILE . 83.3 mt -99.82 124.02 44.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.885 173.42 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -104.35 124.1 48.59 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -96.48 149.98 21.13 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.16 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -139.69 -72.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.859 0.361 . . . . 0.0 110.7 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -102.47 -71.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.651 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.36 9.52 0.51 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.501 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -119.25 150.48 40.02 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.568 ' HB3' ' HB ' ' A' ' 28' ' ' ILE . . . -92.54 115.54 28.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.265 0.555 . . . . 0.0 109.582 178.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 20' ' ' ARG . 16.8 mmm180 -97.4 114.59 26.44 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.165 -176.112 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.661 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 85.1 m -68.66 92.33 0.47 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 171.156 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -70.58 -24.39 62.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.619 -169.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 p -102.29 -58.63 1.84 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.217 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.661 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.2 OUTLIER -63.29 -43.73 97.05 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.701 -178.026 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.46 -45.47 1.2 Allowed Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.121 -1.038 . . . . 0.0 114.446 172.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.482 ' OE2' ' SG ' ' A' ' 21' ' ' CYS . 5.8 pm0 -58.65 162.76 3.68 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -171.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -100.0 140.77 33.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.676 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.568 ' HB ' ' HB3' ' A' ' 19' ' ' ALA . 64.8 mt -122.95 106.47 17.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.179 0.514 . . . . 0.0 110.261 174.732 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.53 129.5 38.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.024 175.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' MET . . . . . 0.461 ' SD ' ' HB3' ' A' ' 68' ' ' PHE . 42.1 mtt -109.14 134.38 51.79 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.929 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.716 ' HZ3' HD11 ' A' ' 33' ' ' LEU . 42.8 tttm -82.95 102.12 11.5 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.239 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.7 98.82 4.87 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.008 -176.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.716 HD11 ' HZ3' ' A' ' 31' ' ' LYS . 87.0 mt -114.84 164.21 14.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.943 -177.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.506 ' HB2' HD21 ' A' ' 41' ' ' LEU . 41.5 t -93.57 118.09 67.44 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 172.353 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -64.99 -18.96 63.62 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.913 2.409 . . . . 0.0 113.444 -170.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.416 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 21.0 p30 -86.25 -14.93 42.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -177.105 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 38' ' ' HIS . 5.6 p -139.37 -6.98 1.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -175.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.453 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 10.5 m170 70.7 0.06 3.16 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.778 0.431 . . . . 0.0 111.864 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -91.39 149.5 39.68 Favored Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 121.206 -0.197 . . . . 0.0 110.629 -176.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.07 152.44 81.27 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 123.021 2.481 . . . . 0.0 112.723 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 34' ' ' CYS . 96.6 mt -92.21 132.68 36.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.623 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -76.34 128.69 35.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.971 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.9 t -81.56 111.05 17.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.3 mt -88.13 107.07 18.58 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -91.75 133.5 35.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.301 -175.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.79 14.98 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.468 176.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.1 t 70.38 -74.25 0.09 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.445 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.01 -32.61 65.91 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.895 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.12 147.12 50.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.4 p -138.56 138.6 42.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.354 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.493 ' HB3' HD22 ' A' ' 60' ' ' LEU . 2.7 m-20 -126.25 157.47 38.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.179 0.514 . . . . 0.0 111.693 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.471 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.9 m-85 -107.45 104.14 13.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.373 -0.831 . . . . 0.0 108.989 176.011 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -100.9 123.78 45.6 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.008 0.433 . . . . 0.0 111.273 -175.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.514 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 40.5 t -91.51 92.67 8.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.678 175.087 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.41 95.11 2.66 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 172.42 20.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.205 -1.362 . . . . 0.0 109.325 -173.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.75 26.27 58.97 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.107 -0.568 . . . . 0.0 113.383 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.514 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 53.1 m170 -114.38 -16.64 11.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.302 0.551 . . . . 0.0 111.255 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.68 -153.24 38.29 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.722 -0.751 . . . . 0.0 113.057 175.133 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.493 HD22 ' HB3' ' A' ' 51' ' ' ASP . 90.7 mt -81.61 122.57 27.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.72 0.295 . . . . 0.0 110.733 -178.362 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.2 mm -90.39 127.12 43.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.113 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.2 m -70.2 159.13 34.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.256 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -48.62 -53.37 18.78 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.633 -175.024 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -86.22 7.74 23.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.275 0.559 . . . . 0.0 111.136 -174.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.3 ttm105 -104.35 -7.02 20.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.287 0.565 . . . . 0.0 109.794 176.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.8 t -75.67 132.86 32.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.67 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -90.56 107.44 19.17 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.461 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 92.7 m-85 -96.27 104.2 16.14 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.535 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.424 HG23 ' HB3' ' A' ' 31' ' ' LYS . 27.2 m -109.4 176.54 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.123 176.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.4 mt -70.26 123.41 21.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.704 0.288 . . . . 0.0 110.617 178.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.677 -0.677 . . . . 0.0 110.355 178.579 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 C--O 1.234 0.285 0 CA-C-O 121.319 0.58 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -116.31 162.41 17.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 173.566 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.1 m -73.89 122.46 87.62 Favored Pre-proline 0 C--N 1.323 -0.565 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.966 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -84.66 28.55 0.57 Allowed 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 123.073 2.515 . . . . 0.0 111.509 176.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -155.2 -73.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.981 -176.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.2 p -93.7 63.24 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.13 -0.941 . . . . 0.0 108.99 176.198 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -35.03 102.45 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 O-C-N 124.917 1.386 . . . . 0.0 113.654 -172.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.403 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 6.7 m80 -168.36 -167.73 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.463 -1.244 . . . . 0.0 107.849 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.5 p -82.97 147.02 6.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-O 120.791 0.329 . . . . 0.0 111.407 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.1 mt -119.29 119.05 32.91 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -111.37 79.3 1.19 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.26 0.553 . . . . 0.0 111.241 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.546 ' HA ' ' HA ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -84.6 128.47 34.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.697 173.579 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.1 p30 -99.67 -39.4 8.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.346 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -160.2 -73.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.798 0.332 . . . . 0.0 110.847 176.687 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.19 -6.52 36.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.371 -0.919 . . . . 0.0 113.251 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -137.24 145.71 43.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.817 0.341 . . . . 0.0 110.641 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.546 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . . . -103.66 126.74 51.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.499 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.454 HH11 ' HD2' ' A' ' 20' ' ' ARG . 19.6 mtp180 -91.08 115.35 27.94 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -94.73 90.25 6.02 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.175 -175.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -70.88 152.37 43.76 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.024 -178.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.5 m 70.43 -47.08 0.63 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 124.043 0.839 . . . . 0.0 110.92 -174.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 10' ' ' HIS . 16.3 m -65.75 -41.38 92.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.045 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.31 -2.47 81.08 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.821 174.732 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -97.45 175.54 6.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.092 0.472 . . . . 0.0 110.953 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -128.91 137.97 51.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.439 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.545 ' HB ' ' HB3' ' A' ' 19' ' ' ALA . 63.2 mt -114.85 107.87 23.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -72.07 155.69 40.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.153 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 62.4 mtt -123.46 144.21 49.66 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.447 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.49 ' NZ ' ' HA ' ' A' ' 71' ' ' ALA . 17.0 mtmm -88.02 130.18 35.05 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.232 176.235 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.43 102.27 14.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.49 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 40' ' ' PRO . 82.9 mt -110.34 153.88 24.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.735 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.463 ' HB2' HD21 ' A' ' 41' ' ' LEU . 49.2 t -94.14 109.7 43.78 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.74 -26.43 73.25 Favored 'Trans proline' 0 N--CA 1.475 0.4 0 C-N-CA 123.295 2.663 . . . . 0.0 114.133 -169.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.8 p30 -75.87 -13.51 60.27 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 p -137.44 -8.47 1.71 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 50.2 t60 56.56 25.89 10.39 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.661 0.743 . . . . 0.0 110.39 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -104.5 149.94 37.95 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.293 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.414 ' HA ' HD23 ' A' ' 33' ' ' LEU . 24.3 Cg_exo -63.66 146.24 92.18 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.958 2.439 . . . . 0.0 113.09 -176.112 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.525 HD13 ' HB3' ' A' ' 52' ' ' TYR . 92.0 mt -86.92 141.56 28.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.627 176.898 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLN . . . . . 0.512 ' HB2' ' HB2' ' A' ' 55' ' ' GLN . 63.6 tt0 -89.34 108.57 19.71 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.243 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.7 t -76.17 99.61 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.594 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 61.2 mt -80.45 96.44 6.74 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 176.414 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -109.02 102.37 11.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -173.09 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -117.42 -175.15 2.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.631 176.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.1 m -71.52 107.36 4.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.779 0.323 . . . . 0.0 110.194 176.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.29 -44.63 2.79 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.822 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.07 117.79 34.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.008 0.432 . . . . 0.0 111.579 -174.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 88.4 t -125.9 116.79 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.659 176.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.458 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 49.0 m-20 -119.66 131.52 55.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.83 0.348 . . . . 0.0 111.604 -175.198 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.525 ' HB3' HD13 ' A' ' 41' ' ' LEU . 95.2 m-85 -88.53 99.3 12.19 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 171.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -100.98 133.67 45.12 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.033 -175.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.507 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 43.7 t -75.44 94.29 3.08 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 177.177 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.512 ' HB2' ' HB2' ' A' ' 42' ' ' GLN . 62.5 tt0 -72.77 94.76 1.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.718 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' HIS . . . . . 0.504 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 0.8 OUTLIER 169.25 -39.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -178.134 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.64 68.18 0.11 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.826 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.507 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 18.4 m170 -136.32 -53.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.023 0.439 . . . . 0.0 109.913 174.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.56 -154.29 25.7 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mp -91.97 142.23 27.77 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.7 mm -112.15 124.48 68.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.62 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.3 m -66.0 141.95 58.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.61 174.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.482 ' HA ' HG23 ' A' ' 66' ' ' VAL . 34.5 pttt -58.27 -28.38 64.9 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -173.151 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -71.61 -19.19 62.15 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.653 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -98.73 0.29 44.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.774 0.321 . . . . 0.0 110.678 -176.162 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.482 HG23 ' HA ' ' A' ' 63' ' ' LYS . 77.4 t -74.57 136.34 25.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.977 0.418 . . . . 0.0 110.695 -178.145 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -84.7 102.15 12.76 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 175.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.406 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 70.8 m-85 -95.77 116.05 28.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.942 -177.683 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.6 m -115.15 154.6 16.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 173.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.1 mt -68.64 146.01 53.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.871 0.367 . . . . 0.0 110.763 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.49 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.15 -0.928 . . . . 0.0 111.442 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.997 0.427 . . . . 0.0 111.567 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -113.3 156.15 23.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.604 177.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.516 ' HB2' ' HA ' ' A' ' 9' ' ' GLN . 11.5 m -77.07 154.84 82.71 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.454 -174.423 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.415 ' HD3' HD11 ' A' ' 12' ' ' LEU . 16.0 Cg_exo -69.33 -51.55 0.41 Allowed 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.529 2.153 . . . . 0.0 111.401 172.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -98.71 -69.29 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.142 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.511 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 29.1 p -85.1 62.19 7.35 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.438 0.637 . . . . 0.0 109.706 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.516 ' HA ' ' HB2' ' A' ' 5' ' ' CYS . 72.7 mt-30 -46.08 116.61 1.28 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.412 -1.267 . . . . 0.0 112.739 -177.064 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' HIS . . . . . 0.432 ' HB3' ' H ' ' A' ' 11' ' ' VAL . 25.4 t-80 -162.74 -85.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.287 171.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.432 ' H ' ' HB3' ' A' ' 10' ' ' HIS . 92.7 t -143.11 130.87 18.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 120.63 0.253 . . . . 0.0 110.526 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.417 HD11 ' HA ' ' A' ' 5' ' ' CYS . 33.5 mt -113.18 113.25 25.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.568 174.142 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.502 ' HB2' ' HD2' ' A' ' 22' ' ' ARG . 33.7 t70 -91.0 104.21 16.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.825 177.749 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 18' ' ' HIS . 53.7 tt0 -116.09 125.24 52.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.499 -178.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -126.46 -69.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.188 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -97.71 62.36 1.64 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.89 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.46 -41.01 1.58 Allowed Glycine 0 CA--C 1.52 0.397 0 CA-C-N 115.747 -0.66 . . . . 0.0 113.057 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.419 ' O ' ' HA ' ' A' ' 14' ' ' GLN . 41.7 m80 -81.1 140.77 34.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.703 0.287 . . . . 0.0 111.12 -177.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 13' ' ' ASP . . . -117.18 127.13 53.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.081 176.065 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -121.83 137.42 54.78 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.318 0.58 . . . . 0.0 110.222 177.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.63 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 47.9 m -79.14 102.82 8.68 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.277 176.872 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.502 ' HD2' ' HB2' ' A' ' 13' ' ' ASP . 9.4 ptm180 -76.43 44.63 0.35 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.704 177.1 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.6 t -174.36 -58.43 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.656 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.63 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -90.44 4.61 50.51 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.854 0.686 . . . . 0.0 112.854 -174.323 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.47 -39.9 2.83 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.781 -0.723 . . . . 0.0 114.222 171.757 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.608 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 13.0 tt0 -43.5 129.09 5.19 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.391 0.676 . . . . 0.0 111.972 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -125.35 115.78 20.86 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.407 HG21 HD22 ' A' ' 70' ' ' LEU . 42.9 mt -102.91 128.54 55.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.4 0.619 . . . . 0.0 112.027 -171.363 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -90.41 101.1 13.84 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 171.428 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 78.3 mtp -101.3 122.87 44.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -92.17 131.16 37.63 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.97 -172.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.91 106.4 13.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.038 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.6 mt -116.41 169.11 9.56 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.699 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.533 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 11.0 t -80.3 132.64 58.7 Favored Pre-proline 0 C--N 1.318 -0.761 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 177.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.408 ' HA ' ' HB2' ' A' ' 67' ' ' GLU . 17.8 Cg_endo -59.42 -38.89 81.13 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.902 2.401 . . . . 0.0 112.761 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.12 -80.02 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.148 -177.198 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.16 -16.62 62.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -174.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.533 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 17.1 m80 62.29 15.95 8.04 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' A' ' 39' ' ' GLN . 15.7 mm-40 -84.84 149.63 54.08 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 174.04 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.86 133.8 60.26 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.911 2.407 . . . . 0.0 112.568 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.484 HD13 ' HB3' ' A' ' 52' ' ' TYR . 97.7 mt -84.57 151.71 24.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.456 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -83.57 111.83 19.45 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.0 t -75.78 108.67 8.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.42 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' A' ' 53' ' ' PHE . 59.2 mt -92.83 85.78 5.29 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.289 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -100.14 110.64 22.92 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.047 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.24 -167.68 1.41 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.109 177.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.9 p -73.31 95.44 2.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.249 0.547 . . . . 0.0 110.604 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.07 -59.51 0.38 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.651 178.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -106.89 155.39 19.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.099 0.476 . . . . 0.0 111.968 -173.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.1 p -133.32 138.62 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.075 178.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -129.92 175.0 9.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.694 0.283 . . . . 0.0 110.496 -178.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.484 ' HB3' HD13 ' A' ' 41' ' ' LEU . 88.1 m-85 -129.31 116.72 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.813 0.339 . . . . 0.0 110.27 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.453 ' HB2' HD11 ' A' ' 44' ' ' LEU . 61.4 t80 -113.67 124.14 51.59 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.276 -174.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 40.5 t -92.75 89.17 6.53 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -78.95 94.52 5.26 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -176.48 -34.65 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -174.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 142.73 42.67 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.113 -0.948 . . . . 0.0 112.433 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 36.2 m80 -136.67 -17.57 1.46 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.981 0.39 . . . . 0.0 111.128 177.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.04 -146.62 36.75 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.948 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.0 131.82 41.77 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.1 mm -93.03 129.03 44.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.796 -176.352 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 t -56.75 124.47 18.54 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.837 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -74.4 3.13 7.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.238 -171.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.841 ' HE2' ' HA ' ' A' ' 64' ' ' LYS . 9.6 mmpt? -100.22 -7.22 24.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.163 0.506 . . . . 0.0 110.09 172.822 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -113.1 -10.73 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.172 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.6 p -54.81 143.2 7.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.442 0 CA-C-O 121.057 0.456 . . . . 0.0 111.38 -176.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 35' ' ' PRO . 5.2 tp10 -93.02 102.01 14.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.541 -176.501 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -92.45 108.11 19.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.803 0.335 . . . . 0.0 110.443 176.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 m -101.45 162.38 3.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.318 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.407 HD22 HG21 ' A' ' 28' ' ' ILE . 66.3 mt -90.43 126.87 36.04 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.692 -0.67 . . . . 0.0 110.649 177.326 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 C--O 1.232 0.165 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -101.02 146.18 27.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.018 0.437 . . . . 0.0 110.289 -177.57 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 3.3 m -80.29 140.81 52.87 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.566 -176.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 8.6 Cg_exo -73.16 0.4 7.96 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.88 2.387 . . . . 0.0 112.181 177.191 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -131.61 -77.01 0.51 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.877 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.474 ' HB2' ' HB2' ' A' ' 24' ' ' CYS . 26.9 p -84.34 63.05 7.56 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.768 177.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 5' ' ' CYS . 91.6 mt-30 -45.61 107.09 0.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.374 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -171.99 -78.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.859 174.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.9 t -138.68 132.56 40.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.034 0.445 . . . . 0.0 111.83 -176.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.7 mt -112.89 104.05 12.04 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 167.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -101.12 114.97 29.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -177.085 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -82.71 117.44 22.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.587 -173.689 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -63.39 -60.17 3.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.069 173.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -156.12 -44.8 0.08 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.284 173.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.09 -32.38 0.12 Allowed Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 172.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -77.05 136.5 38.67 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 172.575 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.87 134.0 41.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.17 0.509 . . . . 0.0 111.391 -177.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -116.53 118.96 34.1 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 175.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.698 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 20.5 m -78.86 90.9 4.71 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.309 0.576 . . . . 0.0 112.022 -177.237 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -56.92 119.83 6.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.366 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.8 t 75.46 -38.36 0.36 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.685 0.794 . . . . 0.0 112.707 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' CYS . . . . . 0.698 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 7.6 p -87.3 -0.33 56.58 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.456 -0.497 . . . . 0.0 111.915 -177.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.18 -68.09 3.62 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 115.302 0.881 . . . . 0.0 115.302 165.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -43.61 117.26 1.11 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -168.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -82.15 124.64 30.05 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 175.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.4 mt -124.18 121.17 61.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.065 0.459 . . . . 0.0 111.169 -174.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.447 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . 9.2 tp10 -83.07 143.19 30.74 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.4 mtt -132.46 141.99 49.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.383 0.611 . . . . 0.0 111.365 -177.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.459 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 43.1 mmtm -96.56 123.41 40.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.286 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.68 94.63 5.75 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.151 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.4 mt -99.26 145.52 27.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.03 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.487 ' SG ' ' OD1' ' A' ' 36' ' ' ASP . 36.7 t -81.08 115.69 57.76 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 170.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -60.35 -28.8 87.51 Favored 'Trans proline' 0 N--CA 1.471 0.164 0 C-N-CA 122.843 2.362 . . . . 0.0 112.466 -171.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.487 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 1.2 p30 -89.88 1.84 55.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.782 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.2 m -129.27 -27.82 2.41 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.0 t60 69.12 8.34 6.77 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.565 0.698 . . . . 0.0 109.672 -174.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -107.23 143.08 26.44 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.309 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -57.21 152.78 43.34 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.647 2.231 . . . . 0.0 112.723 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 52' ' ' TYR . 99.2 mt -89.93 150.62 22.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.67 178.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -82.18 115.72 21.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.912 176.075 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.4 t -74.65 110.29 8.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.982 176.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.538 HD12 ' HB3' ' A' ' 51' ' ' ASP . 87.7 mt -79.58 102.79 9.07 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 177.739 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -102.99 110.44 22.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.29 -176.072 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.483 ' HB3' ' HB3' ' A' ' 49' ' ' ALA . . . -119.02 -165.36 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.9 m -57.49 -54.28 48.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.063 0.458 . . . . 0.0 111.002 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -137.92 24.73 2.98 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.386 -0.685 . . . . 0.0 111.386 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.483 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . . . -127.09 129.56 48.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.713 0.292 . . . . 0.0 110.693 -177.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 57.7 t -127.15 123.23 61.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.219 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.538 ' HB3' HD12 ' A' ' 44' ' ' LEU . 1.5 t70 -137.6 177.49 7.83 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.881 -0.327 . . . . 0.0 111.07 -176.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' TYR . . . . . 0.457 ' HB3' HD13 ' A' ' 41' ' ' LEU . 68.8 m-85 -127.93 107.66 10.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.516 -175.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -103.94 135.26 45.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.988 0.423 . . . . 0.0 110.999 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' CYS . . . . . 0.545 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 36.5 t -93.29 94.68 8.9 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.989 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -70.67 94.81 1.04 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 174.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 171.48 -29.46 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.557 -1.201 . . . . 0.0 108.91 -177.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.27 48.21 0.32 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.879 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' HIS . . . . . 0.545 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 34.8 m170 -128.39 -2.9 5.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.972 0.386 . . . . 0.0 110.64 175.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.07 -144.02 29.32 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.281 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.0 mt -88.3 135.95 33.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.858 0.361 . . . . 0.0 110.758 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.6 mm -100.01 130.05 49.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.761 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.9 t -58.8 147.85 31.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.37 175.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -65.47 -18.11 65.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.075 0.464 . . . . 0.0 110.896 -176.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -89.55 -17.85 27.76 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -93.62 13.58 21.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.738 -178.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.44 127.41 45.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.517 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -85.81 107.6 17.72 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -91.69 108.32 19.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.649 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 31' ' ' LYS . 34.8 m -105.1 149.5 8.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.173 175.675 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.2 mp -73.67 136.34 43.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.414 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.447 ' HB3' ' HB3' ' A' ' 29' ' ' GLU . . . . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.357 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 mmt . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 63.49 -167.21 0.22 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.923 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.3 mt -101.04 143.25 31.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.771 0.32 . . . . 0.0 110.241 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.469 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 36.8 m170 -113.49 157.07 22.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.487 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.4 m -74.52 142.0 77.2 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.023 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -85.66 31.12 0.48 Allowed 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.937 2.424 . . . . 0.0 111.927 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -161.07 -75.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.671 -177.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.6 p -89.13 63.03 6.46 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -46.78 101.49 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.123 -1.399 . . . . 0.0 113.435 -172.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.493 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 4.1 m-70 -162.23 -172.12 3.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.588 -1.187 . . . . 0.0 107.834 173.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.0 t -72.6 137.35 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.152 0.501 . . . . 0.0 111.717 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.5 mt -94.93 117.12 29.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.011 173.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.475 ' HB2' ' HD2' ' A' ' 22' ' ' ARG . 18.0 t70 -83.83 97.49 9.22 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -102.3 130.16 48.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.408 0.623 . . . . 0.0 112.374 -170.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -128.11 -153.73 0.59 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 174.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -66.3 101.81 0.78 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.64 0.734 . . . . 0.0 111.27 -177.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 65.02 11.45 51.41 Favored Glycine 0 C--N 1.334 0.45 0 CA-C-N 115.338 -0.846 . . . . 0.0 113.696 175.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -136.93 139.64 41.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.407 -0.466 . . . . 0.0 111.025 -175.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.41 102.77 5.25 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.693 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.532 ' HG2' ' HD1' ' A' ' 27' ' ' PHE . 18.6 mtp180 -92.78 133.35 36.13 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.258 0.551 . . . . 0.0 109.719 176.389 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.991 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 15.7 m -72.64 97.95 2.26 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.543 178.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HD2' ' HB2' ' A' ' 13' ' ' ASP . 11.5 ptm180 -71.04 139.09 50.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 171.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.2 m 74.22 -15.9 0.57 Allowed 'General case' 0 CA--C 1.538 0.515 0 O-C-N 123.827 0.705 . . . . 0.0 111.817 -176.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.991 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 27.1 m -93.74 -53.9 3.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.139 0.495 . . . . 0.0 110.132 172.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.26 -20.92 29.83 Favored Glycine 0 C--N 1.334 0.461 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.581 -174.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.39 154.15 40.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.963 0.505 . . . . 0.0 111.753 -177.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.532 ' HD1' ' HG2' ' A' ' 20' ' ' ARG . 59.7 t80 -119.63 126.0 50.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.225 177.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.2 mt -127.16 138.52 54.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.066 0.46 . . . . 0.0 110.602 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -112.39 147.8 35.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 79.3 mtp -125.46 149.74 47.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.858 0.361 . . . . 0.0 110.952 -174.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.662 ' HG3' ' HB2' ' A' ' 71' ' ' ALA . 94.8 mttt -93.13 139.56 30.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.894 -177.449 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.504 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -93.98 101.3 13.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.204 176.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 mt -107.39 146.97 30.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.957 0.408 . . . . 0.0 110.85 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.518 ' HB2' HD21 ' A' ' 41' ' ' LEU . 53.2 t -77.13 121.9 85.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 173.011 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.75 -40.53 47.47 Favored 'Trans proline' 0 N--CA 1.475 0.413 0 C-N-CA 122.868 2.379 . . . . 0.0 113.311 -176.123 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -86.96 2.59 48.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.136 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.493 ' HB2' ' HB3' ' A' ' 34' ' ' CYS . 82.1 m -123.7 -42.57 2.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.714 0.292 . . . . 0.0 111.375 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.7 m80 67.58 14.38 9.54 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.481 -171.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -104.62 154.25 38.62 Favored Pre-proline 0 N--CA 1.45 -0.448 0 CA-C-N 115.254 -0.885 . . . . 0.0 108.738 172.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.42 146.82 95.61 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.797 2.332 . . . . 0.0 113.189 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' A' ' 34' ' ' CYS . 90.0 mt -85.12 150.75 24.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.574 176.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -80.95 112.84 18.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.614 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.6 100.26 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.628 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 50.8 mt -84.88 105.8 15.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.78 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -97.33 113.87 25.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.003 0.43 . . . . 0.0 111.158 -175.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.58 31.27 5.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.904 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.5 t 71.62 -70.82 0.15 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.995 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.33 -45.78 6.4 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.189 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.01 147.81 26.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.801 0.334 . . . . 0.0 110.652 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 69.7 t -129.67 122.01 54.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.809 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.524 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 42.1 m-20 -103.02 149.79 24.21 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.547 ' HB2' ' O ' ' A' ' 61' ' ' ILE . 88.0 m-85 -111.79 107.13 16.09 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 177.376 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.469 ' HB2' HD11 ' A' ' 44' ' ' LEU . 73.0 t80 -101.29 131.94 47.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.914 -174.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.595 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 28.9 t -75.53 92.74 2.92 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.29 177.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -71.69 94.6 1.37 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.015 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 169.49 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.112 -176.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.07 58.14 0.24 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.583 -0.818 . . . . 0.0 113.161 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.595 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 27.2 m170 -131.76 -27.23 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.98 0.39 . . . . 0.0 111.36 176.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.98 -154.05 16.57 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.044 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mp -95.4 139.87 31.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.935 0.398 . . . . 0.0 110.662 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.547 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 50.2 mm -120.77 129.01 76.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.819 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.0 t -81.63 159.85 23.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.902 0.382 . . . . 0.0 110.266 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -71.81 -3.7 23.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.589 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -97.64 0.06 46.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.916 0.388 . . . . 0.0 110.927 174.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.7 ttm-85 -120.82 -22.11 6.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.158 0.504 . . . . 0.0 110.4 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.504 HG21 ' HB1' ' A' ' 32' ' ' ALA . 14.9 p -64.09 154.17 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.415 -178.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -103.33 113.07 26.27 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.52 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 45.3 m-85 -92.99 121.34 34.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.765 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.6 m -113.01 163.43 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.494 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.16 122.81 21.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.149 -178.455 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.662 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.563 -0.732 . . . . 0.0 110.616 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ttt . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.72 0.295 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -109.69 155.57 21.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.097 0.475 . . . . 0.0 111.329 -178.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.544 ' HG ' HD12 ' A' ' 12' ' ' LEU . 48.6 tp -113.86 118.1 33.28 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 169.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -98.99 149.22 23.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.585 0.231 . . . . 0.0 110.557 -174.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 1.2 p -81.13 118.27 71.63 Favored Pre-proline 0 C--O 1.222 -0.382 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.928 -176.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 79.6 Cg_exo -45.56 -50.26 9.57 Favored 'Trans proline' 0 N--CA 1.476 0.467 0 C-N-CA 124.103 3.202 . . . . 0.0 115.096 -170.095 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.4 tt0 -77.72 -51.26 10.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.154 0.502 . . . . 0.0 111.976 -172.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.66 -34.32 17.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.247 -172.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.465 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 14.9 mm-40 64.71 104.18 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.837 0.855 . . . . 0.0 113.286 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -171.79 -71.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.197 170.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -169.3 148.14 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.243 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.544 HD12 ' HG ' ' A' ' 3' ' ' LEU . 46.2 mt -108.66 129.21 55.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.06 175.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -105.86 87.73 2.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.197 0.522 . . . . 0.0 109.847 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.416 ' OE1' ' HB3' ' A' ' 12' ' ' LEU . 3.0 pm0 -104.3 120.71 41.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.214 178.261 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -153.01 -42.23 0.1 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.344 -178.052 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -73.14 -41.64 63.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.349 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.57 -18.29 1.66 Allowed Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -174.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 90.4 m-70 -106.81 156.37 18.74 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 172.264 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.546 ' HB3' ' HB ' ' A' ' 28' ' ' ILE . . . -92.02 101.26 13.8 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -93.76 115.09 27.49 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.8 -174.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.731 ' HB2' ' HG2' ' A' ' 26' ' ' GLU . 57.0 m -79.51 92.59 5.3 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 172.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -54.38 -52.66 60.97 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.382 0.426 . . . . 0.0 111.449 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.4 p -68.27 -38.56 81.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.008 0.432 . . . . 0.0 111.772 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.651 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 2.7 m -78.64 -36.51 43.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.126 -174.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.23 15.78 60.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.998 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.731 ' HG2' ' HB2' ' A' ' 21' ' ' CYS . 2.5 pt-20 -103.36 157.31 17.12 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -178.245 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -120.95 118.16 29.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.368 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.546 ' HB ' ' HB3' ' A' ' 19' ' ' ALA . 65.8 mt -106.8 134.99 46.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.204 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -80.65 145.16 31.79 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.339 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.473 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 79.8 mtp -115.11 114.59 25.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.177 0.513 . . . . 0.0 109.628 177.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.42 ' HE2' HD21 ' A' ' 33' ' ' LEU . 86.7 tttt -87.61 115.94 25.39 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.474 -175.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.34 103.33 3.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.855 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.42 HD21 ' HE2' ' A' ' 31' ' ' LYS . 81.4 mt -104.95 143.84 32.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.884 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.497 ' HB2' HD21 ' A' ' 41' ' ' LEU . 41.9 t -84.69 108.81 16.29 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.427 174.264 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -48.1 -37.03 29.85 Favored 'Trans proline' 0 N--CA 1.474 0.382 0 C-N-CA 123.541 2.827 . . . . 0.0 114.2 -171.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -66.07 -22.96 66.44 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -175.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 p -129.65 -15.33 3.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -177.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.2 m80 60.59 26.15 15.84 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.189 0.519 . . . . 0.0 110.814 -176.009 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.761 ' HG3' ' HD2' ' A' ' 40' ' ' PRO . 1.4 tp-100 -108.86 147.68 36.33 Favored Pre-proline 0 N--CA 1.45 -0.449 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.863 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.761 ' HD2' ' HG3' ' A' ' 39' ' ' GLN . 12.6 Cg_endo -55.81 141.81 84.49 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.197 2.598 . . . . 0.0 113.551 -176.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.536 HD13 ' HB3' ' A' ' 52' ' ' TYR . 52.0 mt -91.3 151.36 20.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.936 177.635 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -88.55 123.95 33.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.86 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.3 t -83.58 104.01 11.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.677 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.51 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 79.2 mt -89.08 90.11 8.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.078 177.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -79.24 88.82 4.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 175.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.03 74.73 8.07 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.392 -172.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.4 m 61.2 17.88 8.59 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.45 -0.796 . . . . 0.0 112.455 170.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 141.86 -31.29 2.11 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.669 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.22 163.68 13.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.1 t -133.89 112.32 16.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.472 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.51 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 45.9 m-20 -104.01 139.47 39.08 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.536 ' HB3' HD13 ' A' ' 41' ' ' LEU . 86.7 m-85 -99.69 104.28 16.01 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.165 0.507 . . . . 0.0 109.864 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -101.14 123.44 45.3 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.338 -175.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 42.2 t -89.56 89.87 8.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.352 -0.385 . . . . 0.0 109.99 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -65.2 94.52 0.16 Allowed 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.813 176.303 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 174.78 -22.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 1.175 . . . . 0.0 108.788 -173.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.77 50.03 0.81 Allowed Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.407 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.414 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 37.9 m170 -126.77 -11.07 6.1 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 122.694 -0.297 . . . . 0.0 110.62 176.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.15 -149.94 21.08 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.826 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.4 mt -96.45 127.82 42.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.211 0.529 . . . . 0.0 110.749 -178.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.449 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 50.6 mm -99.5 119.78 47.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.009 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.1 m -65.16 152.33 43.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.639 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -59.15 -28.32 66.46 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -175.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -79.11 -0.3 31.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.625 0.25 . . . . 0.0 111.589 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -120.98 12.4 11.19 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.3 t -92.68 126.18 45.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.347 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -93.75 102.81 14.96 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.695 -0.484 . . . . 0.0 109.695 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.473 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 98.8 m-85 -87.05 111.95 21.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.386 178.498 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.8 m -100.66 159.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.359 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.6 mt -79.97 120.79 24.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.749 0.309 . . . . 0.0 110.501 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.76 -0.638 . . . . 0.0 110.773 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 120.627 0.251 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -159.97 101.24 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -175.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.7 155.32 18.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.972 0.415 . . . . 0.0 111.353 -172.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -128.18 160.29 32.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.233 177.393 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 2.0 m -74.53 132.15 78.89 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.346 178.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 43.8 Cg_exo -56.44 -49.96 13.4 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.742 2.295 . . . . 0.0 112.58 -178.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -96.13 -61.67 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.025 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.2 p -81.89 60.8 4.92 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -36.63 113.69 0.25 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.573 -1.194 . . . . 0.0 112.906 -177.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -176.76 178.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.002 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.636 HG13 ' HB3' ' A' ' 22' ' ' ARG . 7.7 p -68.6 133.29 32.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.267 0.556 . . . . 0.0 111.696 -179.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 21' ' ' CYS . 7.7 mt -119.25 93.94 4.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.269 174.102 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -98.95 144.18 28.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.355 0.598 . . . . 0.0 110.771 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -115.23 126.38 54.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.581 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -109.97 -58.17 2.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.23 0.538 . . . . 0.0 110.527 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -133.43 -151.65 0.45 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.213 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.1 -21.37 52.98 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.701 176.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -98.48 115.53 28.74 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 174.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.91 132.31 36.58 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -91.42 116.51 28.9 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.301 -174.492 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.438 ' HA ' HD23 ' A' ' 12' ' ' LEU . 11.0 t -79.29 89.66 4.94 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 173.379 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.636 ' HB3' HG13 ' A' ' 11' ' ' VAL . 15.1 ttp85 -83.82 146.41 28.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.182 -166.063 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 m 72.78 -13.3 0.68 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.923 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.433 ' H ' ' C ' ' A' ' 22' ' ' ARG . 59.4 m -94.12 -24.61 17.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.815 175.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.64 -10.39 74.79 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.713 177.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -98.4 175.67 5.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.803 0.335 . . . . 0.0 110.732 -177.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -140.51 152.35 45.51 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.569 HG21 HD22 ' A' ' 70' ' ' LEU . 61.6 mt -128.27 116.15 40.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -80.56 140.91 35.56 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.3 mtp -101.77 137.88 39.49 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.808 0.337 . . . . 0.0 110.099 -177.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 60.4 tttm -95.18 128.04 41.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.78 -178.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.51 111.01 22.34 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 40' ' ' PRO . 85.0 mt -119.39 161.57 20.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.748 178.044 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.527 ' HB2' HD21 ' A' ' 41' ' ' LEU . 50.8 t -99.73 114.54 65.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.526 ' HG3' ' HB2' ' A' ' 67' ' ' GLU . 52.3 Cg_exo -54.25 -28.33 51.85 Favored 'Trans proline' 0 N--CA 1.476 0.46 0 C-N-CA 123.291 2.661 . . . . 0.0 114.018 -171.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.34 -21.75 55.77 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -174.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.715 ' SG ' ' HG2' ' A' ' 39' ' ' GLN . 1.8 p -133.43 -16.55 2.37 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -176.168 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 71.12 2.23 4.15 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.609 0.764 . . . . 0.0 112.304 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.715 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 3.9 pt20 -76.06 158.51 82.1 Favored Pre-proline 0 C--O 1.238 0.495 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 174.164 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.452 ' HA ' HD23 ' A' ' 33' ' ' LEU . 22.3 Cg_exo -66.38 151.79 82.41 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.854 2.37 . . . . 0.0 112.296 177.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.534 HD13 ' HB3' ' A' ' 52' ' ' TYR . 70.7 mt -92.66 142.57 27.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.604 176.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -85.26 106.3 16.57 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.4 t -79.31 110.63 15.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.755 -175.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.547 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 38.8 mt -91.34 135.87 33.51 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.439 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -109.96 98.09 7.46 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.12 -162.14 0.88 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.735 -176.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.2 t -73.68 87.14 1.67 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.947 0.403 . . . . 0.0 110.216 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.44 8.79 81.01 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.432 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.98 138.04 53.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.957 0.408 . . . . 0.0 111.385 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 62.3 t -108.03 112.34 39.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 173.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.547 ' HB3' ' HB2' ' A' ' 44' ' ' LEU . 30.8 t0 -109.72 123.01 48.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.808 0.337 . . . . 0.0 110.356 -171.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.534 ' HB3' HD13 ' A' ' 41' ' ' LEU . 80.8 m-85 -93.03 103.74 16.02 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.005 0.431 . . . . 0.0 109.922 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -105.88 115.86 30.95 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.774 -174.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.6 t -91.19 89.59 7.41 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -78.53 94.73 5.02 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.814 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -177.49 24.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.034 -0.984 . . . . 0.0 108.43 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.97 44.37 61.78 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.69 -176.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 67.7 m170 -122.03 -65.86 1.08 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 117.077 0.438 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.02 -160.36 26.23 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.537 -0.84 . . . . 0.0 112.422 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.2 mt -91.19 140.71 29.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.057 0.456 . . . . 0.0 111.218 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.485 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 42.9 mm -114.34 130.26 68.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.16 -178.093 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.469 ' O ' HG23 ' A' ' 66' ' ' VAL . 25.8 t -83.53 161.76 21.11 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 177.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.531 ' HB2' ' HZ3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -48.5 -44.92 36.37 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.267 0.627 . . . . 0.0 112.366 -176.052 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -75.16 -22.28 58.19 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -174.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -85.61 -20.1 30.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.689 0.281 . . . . 0.0 110.692 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 62' ' ' SER . 55.8 t -61.83 134.16 27.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 0.0 111.289 -178.143 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.526 ' HB2' ' HG3' ' A' ' 35' ' ' PRO . 34.4 tt0 -84.45 105.93 15.65 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -99.64 116.53 31.97 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.364 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 31' ' ' LYS . 28.8 m -108.68 166.58 4.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 172.63 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.569 HD22 HG21 ' A' ' 28' ' ' ILE . 78.5 mt -82.48 123.6 29.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.626 0.251 . . . . 0.0 110.887 -175.672 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.778 -0.629 . . . . 0.0 110.423 177.596 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.9 ttp . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -59.72 139.11 57.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.793 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.549 HD13 HE21 ' A' ' 14' ' ' GLN . 71.0 mt -76.98 127.18 32.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.81 -175.619 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.505 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 47.1 m80 -126.2 160.09 31.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.535 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.588 ' SG ' ' HG ' ' A' ' 12' ' ' LEU . 33.6 m -74.44 129.23 84.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.807 175.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 23.8 Cg_exo -64.71 -30.82 59.51 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.515 2.143 . . . . 0.0 112.07 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -102.7 -68.47 0.83 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.708 -178.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.0 p -87.33 62.74 7.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.689 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -36.43 107.97 0.07 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 114.222 -1.354 . . . . 0.0 113.776 -174.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.505 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 1.5 t-80 -174.89 -165.96 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 177.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 73.5 t -79.58 136.51 23.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-N 118.614 0.643 . . . . 0.0 112.187 -174.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.588 ' HG ' ' SG ' ' A' ' 5' ' ' CYS . 6.4 mt -123.16 140.05 53.43 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.383 177.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -121.17 104.8 10.02 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 171.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.549 HE21 HD13 ' A' ' 3' ' ' LEU . 22.1 pt20 -118.51 137.84 52.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.103 -0.498 . . . . 0.0 112.024 -170.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 14' ' ' GLN . 2.3 t70 172.71 -168.17 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 175.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 p30 59.97 -46.29 0.09 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.65 1.58 . . . . 0.0 114.924 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.78 -29.28 0.54 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.256 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -136.85 139.54 41.76 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 174.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.11 124.85 51.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.891 0.377 . . . . 0.0 111.099 -175.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.0 ttt-85 -105.65 134.79 48.2 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 175.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.624 ' CB ' ' HB2' ' A' ' 24' ' ' CYS . 61.7 m -62.97 122.85 17.04 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.331 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -62.79 -50.4 71.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.642 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.08 0.36 23.47 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -174.17 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.624 ' HB2' ' CB ' ' A' ' 21' ' ' CYS . 61.8 m -93.88 -75.83 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.282 0.563 . . . . 0.0 110.84 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' H ' ' HB2' ' A' ' 21' ' ' CYS . . . 142.28 -24.1 2.37 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.839 -173.468 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.577 ' OE2' ' HB3' ' A' ' 24' ' ' CYS . 6.3 mp0 -64.81 143.93 57.6 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.907 0.384 . . . . 0.0 111.14 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -118.49 117.46 29.08 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 171.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.42 HG21 HD22 ' A' ' 70' ' ' LEU . 60.2 mt -118.76 116.56 51.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 -174.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -76.27 148.43 37.58 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.3 mtt -109.27 138.12 46.1 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.033 0.444 . . . . 0.0 110.697 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -86.74 110.27 19.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.81 105.42 7.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.724 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.0 mt -113.74 149.25 35.09 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.677 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.607 ' HB2' HD21 ' A' ' 41' ' ' LEU . 42.0 t -82.75 122.84 78.54 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 171.016 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.53 -32.67 44.64 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.875 2.383 . . . . 0.0 113.251 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -10.14 48.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.453 -175.312 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 36.4 m -114.57 -40.81 3.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.03 0.443 . . . . 0.0 111.053 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.8 m80 61.57 22.03 12.58 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.496 -169.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -109.14 151.97 42.28 Favored Pre-proline 0 N--CA 1.445 -0.707 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.717 172.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.64 139.05 89.11 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 123.072 2.515 . . . . 0.0 113.481 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.607 HD21 ' HB2' ' A' ' 34' ' ' CYS . 84.1 mt -82.26 158.97 23.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.37 175.076 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -95.6 111.24 23.21 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.1 t -77.48 104.25 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.241 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 67.8 mt -93.72 126.31 38.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.181 -177.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -97.82 102.91 14.79 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 171.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.02 28.7 1.33 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.393 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.9 p 42.13 80.83 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 O-C-N 124.057 0.848 . . . . 0.0 111.508 -174.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.03 -59.1 0.69 Allowed Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -174.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.44 159.32 20.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.785 0.326 . . . . 0.0 110.58 176.18 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.4 t -117.58 124.75 73.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.54 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 26.1 m-20 -107.27 124.61 50.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.964 0.411 . . . . 0.0 111.197 -177.435 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -84.12 98.54 9.95 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -100.94 127.48 47.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.988 0.423 . . . . 0.0 111.094 -172.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 42.2 t -88.54 89.22 7.9 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 175.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -75.7 94.57 3.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.993 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -178.7 17.12 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.347 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.84 21.97 64.87 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.352 -176.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 39.0 m170 -99.09 -52.64 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 122.635 -0.332 . . . . 0.0 111.466 -177.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.96 -161.84 23.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.132 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mp -91.83 134.08 35.07 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.0 mm -95.54 136.52 26.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 m -65.28 147.2 53.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.787 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -59.53 -45.17 92.56 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -81.62 5.5 17.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.884 0.373 . . . . 0.0 111.279 -178.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -102.23 -12.04 18.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.757 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.74 130.7 35.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.193 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -86.55 107.13 17.98 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -95.37 116.18 28.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.581 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.4 167.03 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.719 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.42 HD22 HG21 ' A' ' 28' ' ' ILE . 90.3 mt -72.78 126.36 29.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.774 -177.063 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.742 -0.647 . . . . 0.0 111.047 179.607 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.772 0.32 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.559 ' HB3' HG23 ' A' ' 11' ' ' VAL . 1.8 mp0 -80.81 106.66 12.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.119 177.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 12' ' ' LEU . 31.5 tp -98.13 175.39 6.11 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 177.16 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.518 ' H ' ' HG ' ' A' ' 3' ' ' LEU . 69.5 m80 -129.79 148.53 51.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.841 0.353 . . . . 0.0 110.611 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.43 129.04 61.84 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.355 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.58 -25.57 54.8 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.312 2.008 . . . . 0.0 111.094 171.107 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -85.41 -82.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.132 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p -95.16 69.34 3.17 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.387 -176.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -37.98 103.54 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 113.749 -1.568 . . . . 0.0 112.954 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.55 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 7.8 m-70 -170.01 179.05 3.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 176.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.559 HG23 ' HB3' ' A' ' 2' ' ' GLU . 10.3 p -71.62 137.31 23.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 CA-C-O 121.665 0.745 . . . . 0.0 111.822 -177.201 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.524 ' HB2' ' HB3' ' A' ' 3' ' ' LEU . 81.3 mt -112.21 122.32 47.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.806 174.022 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -102.03 113.31 26.43 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.1 pt20 -127.23 104.67 8.08 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.268 -173.362 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -98.09 -74.02 0.59 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.033 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -117.98 104.72 11.16 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.675 0.274 . . . . 0.0 111.507 -174.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.4 -51.15 4.52 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 114.451 0.54 . . . . 0.0 114.451 168.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -111.71 151.67 28.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.189 0.519 . . . . 0.0 112.255 -174.137 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.04 108.44 18.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.647 174.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 ttm-85 -98.79 130.05 45.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.234 0.54 . . . . 0.0 110.952 -178.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.535 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 91.7 m -66.94 97.87 0.52 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.889 173.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -61.93 -38.56 88.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.853 0.359 . . . . 0.0 110.848 -174.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -89.86 -43.77 10.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.248 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 10' ' ' HIS . 3.2 m -66.1 -41.96 89.94 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.169 -174.102 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.12 0.45 58.54 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.118 -175.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -91.7 166.01 13.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.77 0.319 . . . . 0.0 110.684 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -125.18 126.87 45.92 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.535 HG21 HD22 ' A' ' 70' ' ' LEU . 60.9 mt -107.15 136.17 43.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.694 -177.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -93.36 149.87 20.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.861 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.0 mtt -102.28 159.0 15.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.342 0.592 . . . . 0.0 111.445 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.793 ' HE3' ' HA ' ' A' ' 71' ' ' ALA . 36.1 ttmt -130.47 109.6 10.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.34 -178.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.14 98.73 6.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.957 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.9 mt -111.36 147.3 35.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.191 0.519 . . . . 0.0 110.847 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.539 ' HB2' HD21 ' A' ' 41' ' ' LEU . 50.4 t -78.68 135.39 60.08 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.935 175.072 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.33 -32.3 72.55 Favored 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 122.417 2.078 . . . . 0.0 113.468 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -89.66 -17.08 29.07 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -172.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.0 p -142.15 1.86 1.46 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 38.53 33.9 0.07 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.722 1.209 . . . . 0.0 113.92 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -93.57 145.23 29.56 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 172.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -57.52 126.76 22.94 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 123.148 2.566 . . . . 0.0 112.784 -177.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.539 HD21 ' HB2' ' A' ' 34' ' ' CYS . 96.0 mt -78.02 139.78 39.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.613 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.539 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 63.7 tt0 -79.45 121.39 25.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.965 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.7 t -74.26 103.39 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.632 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 75.8 mt -86.49 107.75 18.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.258 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -99.68 90.08 4.35 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.9 86.64 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.194 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.5 p 45.48 36.3 2.4 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.94 0.896 . . . . 0.0 112.908 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.37 -32.13 5.35 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.355 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.94 111.37 19.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.632 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 9.5 p -106.95 125.65 62.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.24 0.543 . . . . 0.0 111.002 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -134.84 170.76 15.37 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.434 ' HB3' HD13 ' A' ' 41' ' ' LEU . 97.4 m-85 -116.25 120.55 39.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.292 0.568 . . . . 0.0 111.45 -172.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.539 ' HB3' ' HB3' ' A' ' 42' ' ' GLN . 64.2 t80 -101.22 130.88 47.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.225 -179.002 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.665 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 51.1 t -87.89 103.1 15.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.634 -178.165 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.493 ' O ' ' HB2' ' A' ' 56' ' ' HIS . 40.4 mt-30 -72.47 95.26 1.76 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.503 0.668 . . . . 0.0 110.537 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.493 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 1.0 OUTLIER 170.04 -3.66 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.318 -1.31 . . . . 0.0 109.572 -177.281 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.444 ' H ' ' H ' ' A' ' 56' ' ' HIS . . . 90.88 28.31 16.18 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.223 -177.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.665 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 59.6 m170 -100.86 -8.42 22.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 110.599 177.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.32 -148.06 32.22 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.237 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.2 mt -83.47 143.66 30.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.714 0.292 . . . . 0.0 110.754 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.5 mm -111.46 135.15 51.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.04 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.3 m -58.35 142.63 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -61.13 -30.74 70.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.619 -173.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -88.92 0.05 56.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.628 0.252 . . . . 0.0 111.651 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -99.42 -14.88 18.94 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.406 HG13 HD12 ' A' ' 41' ' ' LEU . 58.9 t -70.15 125.48 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.233 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -88.56 102.14 14.64 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -82.72 100.52 10.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.855 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.491 HG23 ' HB3' ' A' ' 31' ' ' LYS . 34.1 m -100.77 176.46 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.79 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.535 HD22 HG21 ' A' ' 28' ' ' ILE . 66.4 mt -87.26 130.46 34.58 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.848 0.356 . . . . 0.0 110.185 -178.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.793 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.992 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -117.78 29.16 7.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.179 0.514 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.8 mt -75.06 148.36 39.86 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 174.24 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 11' ' ' VAL . 33.6 m80 -127.03 155.96 42.41 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -178.635 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.9 m -74.72 122.19 86.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.74 -22.11 69.65 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.633 2.222 . . . . 0.0 111.942 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -105.06 -72.93 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.66 178.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.6 p -80.74 12.58 3.08 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -171.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.409 ' HB3' ' H ' ' A' ' 10' ' ' HIS . 35.4 mm-40 51.71 -152.86 0.21 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 174.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.409 ' H ' ' HB3' ' A' ' 9' ' ' GLN . 29.2 m170 70.24 -97.9 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.27 0.628 . . . . 0.0 111.442 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 4' ' ' HIS . 8.0 p -164.98 147.79 2.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.017 0.437 . . . . 0.0 111.49 -176.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.512 HD21 HD12 ' A' ' 28' ' ' ILE . 26.1 mt -112.01 81.4 1.46 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.58 173.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.488 ' HB3' ' HE ' ' A' ' 22' ' ' ARG . 8.9 t70 -94.78 100.81 12.64 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -89.3 145.54 25.31 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.759 -169.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -67.25 -63.52 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 170.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -176.74 104.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.724 -1.126 . . . . 0.0 108.986 176.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.68 -62.45 4.51 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.73 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -77.21 117.81 19.11 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.01 105.44 17.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.604 -174.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -91.13 121.9 33.32 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 173.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.635 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 74.3 m -70.64 90.93 0.78 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 174.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' HE ' ' HB3' ' A' ' 13' ' ' ASP . 34.7 mtm180 -58.83 -59.41 5.48 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -177.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.8 m -71.96 -9.48 58.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -176.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.635 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 29.7 m -93.77 -50.54 5.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.242 0.544 . . . . 0.0 110.891 175.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.52 14.27 24.12 Favored Glycine 0 CA--C 1.521 0.461 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.711 -172.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.403 ' H ' ' HB2' ' A' ' 21' ' ' CYS . 12.5 mt-10 -103.38 173.46 6.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.026 0.441 . . . . 0.0 111.712 -175.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -132.43 116.48 16.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.742 175.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.512 HD12 HD21 ' A' ' 12' ' ' LEU . 58.0 mt -112.96 135.1 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.18 0.514 . . . . 0.0 110.989 -179.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -94.41 145.8 24.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.185 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.2 mtt -124.78 153.46 42.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.252 0.549 . . . . 0.0 111.189 176.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HE2' ' HA ' ' A' ' 71' ' ' ALA . 63.6 mttm -110.44 128.75 55.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.171 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.19 109.01 17.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.151 177.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 40' ' ' PRO . 67.0 mt -117.65 158.12 25.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.028 0.442 . . . . 0.0 110.995 -177.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.46 ' HB2' HD21 ' A' ' 41' ' ' LEU . 16.0 t -81.0 125.07 80.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.479 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.465 ' HG3' ' HG2' ' A' ' 65' ' ' ARG . 19.3 Cg_endo -57.03 -26.38 68.25 Favored 'Trans proline' 0 N--CA 1.476 0.46 0 C-N-CA 123.432 2.755 . . . . 0.0 114.912 -169.129 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.526 ' OD1' ' HE1' ' A' ' 58' ' ' HIS . 6.9 p-10 -98.92 -50.2 4.28 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -174.377 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 p -92.77 -10.7 36.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.884 0.373 . . . . 0.0 110.996 -174.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 34.2 t60 65.8 2.94 2.32 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.51 0.724 . . . . 0.0 112.044 174.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.454 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 32.8 mm-40 -69.81 146.55 95.63 Favored Pre-proline 0 C--O 1.236 0.386 0 CA-C-O 120.422 0.153 . . . . 0.0 110.773 176.233 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.47 ' HA ' HD23 ' A' ' 33' ' ' LEU . 17.0 Cg_exo -67.81 146.61 72.92 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.472 2.781 . . . . 0.0 113.055 -177.293 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' ' 34' ' ' CYS . 38.2 mt -99.42 137.93 37.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.585 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -87.85 128.59 35.34 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.33 111.64 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.012 0.434 . . . . 0.0 110.762 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.545 HD11 ' HB2' ' A' ' 53' ' ' PHE . 90.7 mt -88.49 85.88 6.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.348 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -90.76 101.84 14.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.635 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -114.1 161.71 17.41 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 175.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.0 p -74.69 79.75 2.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.511 0.672 . . . . 0.0 110.156 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 153.77 -61.52 0.38 Allowed Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.558 -177.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.29 136.18 51.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.83 0.348 . . . . 0.0 111.045 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 61.0 t -117.4 116.77 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.665 174.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -131.45 -172.09 2.76 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.693 -177.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.428 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 87.3 m-85 -121.51 131.59 54.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.942 0.401 . . . . 0.0 111.458 -178.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.545 ' HB2' HD11 ' A' ' 44' ' ' LEU . 75.2 t80 -107.17 122.32 46.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.243 178.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 45.5 t -68.05 98.9 0.81 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.564 178.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' A' ' 56' ' ' HIS . 64.1 tt0 -70.78 116.02 10.6 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 173.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.532 ' HB3' ' O ' ' A' ' 55' ' ' GLN . 52.2 t-80 88.43 86.1 0.02 OUTLIER 'General case' 0 C--O 1.233 0.227 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.91 88.6 0.31 Allowed Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.178 -0.919 . . . . 0.0 114.185 171.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.529 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 2.6 m80 156.29 -73.8 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.649 1.179 . . . . 0.0 111.533 164.356 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.12 -157.04 15.78 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -167.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.12 130.74 45.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.859 0.829 . . . . 0.0 111.1 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.0 mm -108.3 138.29 35.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.8 p -56.27 125.77 23.28 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.004 0.43 . . . . 0.0 110.332 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.458 ' HB2' ' NZ ' ' A' ' 63' ' ' LYS . 4.8 ttmp? -57.79 -29.28 64.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.405 -172.031 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -83.51 -9.49 58.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.012 0.434 . . . . 0.0 111.499 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.465 ' HG2' ' HG3' ' A' ' 35' ' ' PRO . 41.5 ttm180 -97.61 -15.27 20.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.024 0.44 . . . . 0.0 110.294 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.5 t -56.52 137.87 17.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.679 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -92.25 114.49 27.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.69 177.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -100.53 114.38 27.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.588 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.0 m -114.06 153.6 15.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.15 177.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.747 ' H ' HD23 ' A' ' 70' ' ' LEU . 2.3 pt? -75.41 145.14 41.81 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.488 -0.768 . . . . 0.0 110.547 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.7 ttp . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 121.299 0.571 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.99 112.25 24.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.199 178.281 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.53 125.25 26.98 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 11' ' ' VAL . 18.7 m80 -84.52 152.74 23.72 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.91 104.14 2.21 Favored Pre-proline 0 C--N 1.332 -0.163 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.465 -173.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.533 ' HD3' ' O ' ' A' ' 4' ' ' HIS . 83.8 Cg_endo -77.97 72.82 6.0 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.246 2.631 . . . . 0.0 112.603 -172.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -173.54 -45.06 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.683 -1.144 . . . . 0.0 108.578 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.8 p -118.42 -25.52 6.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.484 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.458 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 15.5 mm-40 72.5 123.47 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.053 0.941 . . . . 0.0 112.8 177.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 174.41 -87.49 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.27 174.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.555 ' HA ' ' HA ' ' A' ' 4' ' ' HIS . 13.8 p -171.78 142.22 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.013 0.435 . . . . 0.0 111.264 179.042 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 21' ' ' CYS . 82.5 mt -117.99 96.91 5.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.872 175.127 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -88.79 105.41 17.7 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.695 ' HG2' ' HB2' ' A' ' 19' ' ' ALA . 77.4 mt-30 -84.85 143.76 28.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.454 -168.184 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.8 -58.65 7.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.233 170.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -173.89 -54.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.362 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -104.37 -64.34 0.68 Allowed Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.715 177.26 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.79 158.33 22.85 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.297 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.695 ' HB2' ' HG2' ' A' ' 14' ' ' GLN . . . -129.95 170.41 13.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.089 0.471 . . . . 0.0 111.568 -175.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -150.91 144.37 24.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.479 -0.782 . . . . 0.0 108.97 176.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 56.8 m -62.68 109.33 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 174.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.401 ' HB3' HG13 ' A' ' 11' ' ' VAL . 3.5 tpt180 -62.86 -54.85 32.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.157 -172.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 m -77.89 -41.15 37.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.984 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.544 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 3.4 m -67.77 -53.22 28.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.049 0.452 . . . . 0.0 110.748 -175.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.78 -12.98 42.1 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.077 -0.582 . . . . 0.0 111.795 -174.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 11.0 mt-10 -65.3 152.01 44.82 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 123.038 0.535 . . . . 0.0 111.395 -177.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -96.62 112.42 24.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.666 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.2 mt -128.53 94.23 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -93.73 169.96 9.92 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 66.5 mtt -122.2 138.84 54.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.057 0.456 . . . . 0.0 111.297 -176.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -77.76 131.11 37.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.557 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.71 87.93 7.42 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 40' ' ' PRO . 72.1 mt -105.59 148.24 27.53 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.111 -175.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.542 ' HB2' HD21 ' A' ' 41' ' ' LEU . 53.2 t -76.67 124.03 87.69 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 171.687 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.11 -29.32 86.79 Favored 'Trans proline' 0 N--CA 1.474 0.382 0 C-N-CA 123.087 2.525 . . . . 0.0 113.459 -170.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.74 -36.84 50.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.712 -174.096 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.56 ' HB2' ' OE1' ' A' ' 39' ' ' GLN . 2.7 p -120.44 -22.36 6.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -170.025 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 44.0 m80 67.6 18.19 9.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.961 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.56 ' OE1' ' HB2' ' A' ' 37' ' ' CYS . 1.8 mp0 -78.86 139.93 58.02 Favored Pre-proline 0 C--O 1.238 0.463 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 168.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 39' ' ' GLN . 38.5 Cg_exo -60.64 129.86 31.06 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.721 2.281 . . . . 0.0 112.04 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.542 HD21 ' HB2' ' A' ' 34' ' ' CYS . 95.8 mt -73.18 126.88 31.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.14 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.2 tt0 -72.52 120.44 18.13 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.144 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.9 t -78.22 101.27 3.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.456 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.505 HD11 ' HB2' ' A' ' 53' ' ' PHE . 61.6 mt -80.75 99.0 8.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.696 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' A' ' 45' ' ' LYS . 32.2 mtpt -98.21 106.43 18.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.113 0.482 . . . . 0.0 111.025 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -107.29 -179.12 3.83 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.305 174.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.1 t -80.55 82.83 6.47 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.05 0.452 . . . . 0.0 110.313 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.6 -12.38 23.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.846 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.93 138.02 53.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.607 0.241 . . . . 0.0 111.254 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 58.3 t -136.39 119.52 22.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 177.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.506 ' HB3' HD22 ' A' ' 60' ' ' LEU . 6.0 m-20 -130.61 158.43 40.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.926 0.394 . . . . 0.0 111.183 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.512 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 95.6 m-85 -108.03 113.35 26.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.191 177.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.505 ' HB2' HD11 ' A' ' 44' ' ' LEU . 62.3 t80 -103.61 132.19 50.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.01 -175.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.463 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 44.0 t -101.98 99.74 9.95 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.172 178.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 69.4 mt-30 -70.43 94.97 1.0 Allowed 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.53 0.681 . . . . 0.0 110.073 176.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 176.4 22.16 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.116 -1.402 . . . . 0.0 109.118 -179.306 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.01 31.63 66.64 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.633 -176.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.463 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 49.9 m170 -113.58 -10.49 13.13 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 117.082 0.441 . . . . 0.0 110.912 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.51 -142.41 35.32 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.063 176.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 51' ' ' ASP . 96.0 mt -92.84 134.47 35.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.876 0.37 . . . . 0.0 110.922 -177.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.2 mm -107.06 120.53 58.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.263 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.4 m -61.75 147.99 44.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.272 175.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.46 ' HA ' HG23 ' A' ' 66' ' ' VAL . 19.2 pttp -70.94 0.32 7.63 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -172.029 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -82.67 -30.52 29.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.429 0.633 . . . . 0.0 109.647 171.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 65' ' ' ARG . 42.2 mtm180 -102.95 13.67 33.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.875 -172.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.46 HG23 ' HA ' ' A' ' 63' ' ' LYS . 61.7 t -87.48 128.42 40.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.737 175.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -92.5 105.1 17.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.001 0.429 . . . . 0.0 109.93 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -88.77 115.59 26.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.753 -178.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.0 m -113.54 153.45 15.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.172 177.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.03 128.37 36.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.712 0.291 . . . . 0.0 110.459 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.068 -177.449 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 2' ' ' GLU . 5.2 pt-20 -75.65 117.38 17.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.444 0.64 . . . . 0.0 111.833 -175.214 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.539 ' HB2' ' HB2' ' A' ' 12' ' ' LEU . 90.8 mt -97.7 163.85 12.65 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 167.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -116.49 139.22 50.7 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.499 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.491 ' SG ' ' HB3' ' A' ' 7' ' ' GLN . 10.8 t -84.58 108.88 16.38 Favored Pre-proline 0 C--O 1.215 -0.738 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.147 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.51 -15.63 4.32 Favored 'Trans proline' 0 N--CA 1.48 0.709 0 C-N-CA 123.126 2.551 . . . . 0.0 113.316 -174.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLN . . . . . 0.491 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 7.3 tm0? -81.49 -39.57 24.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.423 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.6 p -132.51 1.71 3.75 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.878 0.37 . . . . 0.0 111.525 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 5' ' ' CYS . 87.2 mt-30 54.69 24.9 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 124.128 0.971 . . . . 0.0 112.656 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -99.87 171.81 7.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.467 175.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.49 133.86 29.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -172.627 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.539 ' HB2' ' HB2' ' A' ' 3' ' ' LEU . 97.5 mt -99.74 106.72 18.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.666 -1.152 . . . . 0.0 108.335 166.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -97.51 135.96 38.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.002 0.43 . . . . 0.0 110.841 -176.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -94.66 96.6 9.52 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.624 -176.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -73.59 -29.83 62.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.9 0.857 . . . . 0.0 109.244 172.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.428 ' C ' ' H ' ' A' ' 18' ' ' HIS . 8.3 p30 -160.74 -148.07 0.16 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.447 -1.251 . . . . 0.0 107.819 178.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.2 24.76 1.08 Allowed Glycine 0 CA--C 1.524 0.655 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.853 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.428 ' H ' ' C ' ' A' ' 16' ' ' ASN . 33.1 m170 -133.59 136.13 44.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.78 102.83 13.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.079 0.466 . . . . 0.0 109.746 176.031 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -100.92 110.65 22.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.63 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.5 t -71.72 104.17 3.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.161 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 22' ' ' ARG . 62.7 mtt85 -71.77 86.66 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.885 178.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.8 p 174.42 -66.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.983 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.0 p -93.78 -18.13 22.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.94 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.81 14.01 80.39 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.538 -0.839 . . . . 0.0 111.554 -177.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -61.11 130.3 45.63 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.423 -0.389 . . . . 0.0 110.331 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -98.54 104.88 16.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.396 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.2 mt -113.25 105.34 18.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.991 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -88.64 171.62 9.88 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.523 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 49.3 mtt -117.4 122.93 45.17 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.131 0.491 . . . . 0.0 110.778 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -88.46 119.46 28.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.562 -179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.01 107.53 10.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.69 -176.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 99.4 mt -113.58 157.64 21.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.257 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.623 ' SG ' HD11 ' A' ' 61' ' ' ILE . 36.8 t -84.93 115.92 63.1 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 34' ' ' CYS . 24.5 Cg_exo -63.52 -19.41 67.68 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.849 2.366 . . . . 0.0 113.795 -172.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -86.36 -36.5 19.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 3.6 p -118.86 -6.05 10.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.927 0.394 . . . . 0.0 111.485 -177.237 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 59.95 21.31 10.35 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.75 0.82 . . . . 0.0 111.844 177.026 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.467 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 78.2 mt-30 -109.33 157.15 38.03 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 16.7 Cg_endo -57.13 147.64 74.36 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.137 2.558 . . . . 0.0 113.627 -174.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.46 HD13 ' HB3' ' A' ' 52' ' ' TYR . 90.7 mt -92.81 159.79 15.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.641 177.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 60.3 tt0 -93.87 109.49 21.19 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 174.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.31 101.85 3.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.987 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 85.4 mt -76.78 87.95 3.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.589 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -96.55 90.28 5.3 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.491 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.67 10.77 37.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.136 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 80.0 m 71.3 -47.1 0.65 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.727 0.811 . . . . 0.0 111.214 -177.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.69 -55.89 15.47 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.538 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.04 136.26 51.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.668 0.27 . . . . 0.0 110.669 175.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 58.1 t -109.43 109.39 28.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.863 176.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -112.93 152.5 29.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.107 0.479 . . . . 0.0 111.41 -175.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.46 ' HB3' HD13 ' A' ' 41' ' ' LEU . 88.0 m-85 -108.64 106.37 16.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.969 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -113.82 131.09 56.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.629 -174.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.488 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 41.7 t -81.76 89.66 6.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -71.54 94.72 1.32 Allowed 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 172.13 -35.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.0 -1.455 . . . . 0.0 107.404 -169.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.89 57.75 0.18 Allowed Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.795 178.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.488 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 23.7 m170 -137.16 -3.62 1.96 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 117.004 0.402 . . . . 0.0 111.282 174.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.28 -148.25 35.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.091 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mp -99.56 147.39 25.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.901 0.381 . . . . 0.0 110.31 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.623 HD11 ' SG ' ' A' ' 34' ' ' CYS . 44.4 mt -107.55 144.68 15.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.193 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.2 m -57.13 131.16 49.11 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -53.36 -39.48 64.2 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.813 -174.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -90.14 6.89 40.66 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -176.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -116.82 -5.76 11.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.942 0.401 . . . . 0.0 110.599 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.43 146.42 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.992 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -78.27 105.71 9.69 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.523 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 65.4 m-85 -100.11 110.36 22.65 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.563 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.3 m -100.93 153.69 4.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.161 175.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.9 mt -70.01 118.1 12.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.493 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.197 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.043 -178.738 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 tpp . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -144.48 98.35 3.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.406 0.622 . . . . 0.0 111.168 -175.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 96.5 mt -127.92 95.47 4.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.475 177.177 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.496 ' HB3' ' OE1' ' A' ' 9' ' ' GLN . 63.2 m80 -124.78 162.09 25.04 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.967 0.413 . . . . 0.0 110.808 -175.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 61.2 m -80.63 150.55 70.07 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.001 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -86.98 12.08 3.08 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.799 2.333 . . . . 0.0 112.022 175.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -149.12 -69.4 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.743 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.652 ' SG ' ' HB2' ' A' ' 24' ' ' CYS . 26.6 p -98.71 72.59 1.99 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.559 0.695 . . . . 0.0 109.323 -178.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.496 ' OE1' ' HB3' ' A' ' 4' ' ' HIS . 17.8 mm-40 -35.0 107.47 0.05 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 113.447 -1.706 . . . . 0.0 113.353 178.252 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.403 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 47.3 t-80 -155.05 -79.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.445 174.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.405 ' HA ' ' O ' ' A' ' 3' ' ' LEU . 11.9 p -173.72 145.62 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.585 178.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 21' ' ' CYS . 97.8 mt -94.73 109.67 21.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.607 174.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.648 ' HB2' ' HB2' ' A' ' 22' ' ' ARG . 15.6 t70 -104.76 86.73 2.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.206 0.527 . . . . 0.0 109.673 -178.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.1 pm0 -72.52 131.38 42.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.386 0.612 . . . . 0.0 111.047 -173.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -94.32 -58.1 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.779 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -167.91 107.14 0.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.29 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.98 -41.06 2.99 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.075 175.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.506 ' HB2' ' O ' ' A' ' 28' ' ' ILE . 14.7 p80 -124.18 169.99 11.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.574 -0.368 . . . . 0.0 110.861 -178.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.85 110.41 22.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.354 0.597 . . . . 0.0 111.208 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -99.01 102.88 14.76 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.341 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.609 ' SG ' ' HB2' ' A' ' 26' ' ' GLU . 30.2 p -68.72 114.6 7.22 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.663 -177.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.648 ' HB2' ' HB2' ' A' ' 13' ' ' ASP . 26.2 ttt180 -61.64 128.62 37.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.895 -167.318 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.2 m 74.65 -33.62 0.25 Allowed 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.961 -1.018 . . . . 0.0 113.12 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.652 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 2.0 p -94.21 4.01 54.47 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -174.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.51 -57.5 0.55 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 159.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.609 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 9.5 mt-10 -43.46 123.35 3.0 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -170.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -97.97 95.21 7.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.729 170.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.506 ' O ' ' HB2' ' A' ' 18' ' ' HIS . 76.1 mt -97.14 145.79 8.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.315 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.487 ' HA ' ' HB2' ' A' ' 18' ' ' HIS . 38.0 mt-10 -104.22 148.12 26.69 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.547 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 89.7 mmm -114.22 151.58 32.56 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.586 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.489 ' HB3' HG23 ' A' ' 69' ' ' VAL . 25.3 ttpt -118.48 116.3 26.39 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.942 -175.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.48 118.56 25.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.738 -174.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 40' ' ' PRO . 86.4 mt -119.29 148.1 43.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.409 177.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.551 ' HB2' HD21 ' A' ' 41' ' ' LEU . 42.1 t -77.86 126.41 84.11 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.648 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -56.92 -34.24 96.79 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 122.794 2.329 . . . . 0.0 113.928 -171.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.47 ' OD2' ' HE1' ' A' ' 58' ' ' HIS . 0.7 OUTLIER -78.74 -33.53 46.57 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -172.739 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -125.33 -14.8 6.37 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -170.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.7 m170 60.24 22.57 11.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.914 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 83.8 mm-40 -70.05 135.4 87.3 Favored Pre-proline 0 N--CA 1.451 -0.424 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 169.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.427 ' HA ' HD23 ' A' ' 33' ' ' LEU . 31.4 Cg_exo -59.32 119.18 6.27 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.577 2.185 . . . . 0.0 111.278 176.461 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.551 HD21 ' HB2' ' A' ' 34' ' ' CYS . 69.9 mt -71.24 138.95 49.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.175 0.512 . . . . 0.0 111.292 -176.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.465 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 6.0 tp60 -81.65 126.1 31.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.069 177.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.4 t -80.04 99.96 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.718 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 50.0 mt -82.65 122.15 27.75 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.892 -174.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.419 ' HG2' HG22 ' A' ' 50' ' ' VAL . 53.5 mttt -103.99 87.66 2.83 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 165.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.23 92.03 8.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.188 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.7 t 68.79 -69.4 0.16 Allowed 'General case' 0 CA--C 1.533 0.29 0 O-C-N 124.033 0.833 . . . . 0.0 111.042 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -146.2 8.37 1.44 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.223 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.52 139.41 49.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.78 -0.247 . . . . 0.0 110.716 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.718 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 89.3 t -114.29 113.91 45.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 -178.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -131.76 -171.95 2.74 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -177.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -124.99 132.43 53.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.128 0.49 . . . . 0.0 111.011 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.515 ' HB2' HD11 ' A' ' 44' ' ' LEU . 38.9 t80 -118.57 131.0 56.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.564 -174.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.1 t -109.87 103.13 11.88 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.804 173.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.72 102.7 6.33 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 171.9 28.64 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.445 -1.252 . . . . 0.0 109.055 -176.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.39 21.4 79.63 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.586 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.47 ' HE1' ' OD2' ' A' ' 36' ' ' ASP . 53.5 m170 -109.19 -33.19 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 0.0 110.471 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.53 -135.92 31.44 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.334 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.7 mt -68.26 121.52 16.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.966 0.412 . . . . 0.0 111.32 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.4 mm -97.72 131.02 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.58 176.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.582 ' HB2' ' HD3' ' A' ' 65' ' ' ARG . 5.7 m -55.9 127.62 31.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.314 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -65.05 -22.02 66.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.47 -173.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -85.89 -4.0 59.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.082 0.468 . . . . 0.0 111.037 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.582 ' HD3' ' HB2' ' A' ' 62' ' ' SER . 65.0 mtp180 -115.61 5.77 14.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.702 -177.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.479 HG13 HD12 ' A' ' 41' ' ' LEU . 96.9 t -74.71 136.71 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.46 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -87.77 102.43 14.66 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -91.89 110.98 22.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.24 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.489 HG23 ' HB3' ' A' ' 31' ' ' LYS . 31.5 m -104.95 -174.69 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.22 144.31 28.21 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.41 -0.805 . . . . 0.0 110.726 178.682 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.489 ' HB3' HG13 ' A' ' 11' ' ' VAL . 2.7 mp0 -89.56 137.58 32.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.882 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.9 mp -77.15 151.17 35.44 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.376 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -117.16 144.3 44.88 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.604 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 9' ' ' GLN . 2.4 m -74.49 141.73 76.94 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 174.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -70.14 -42.52 2.95 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 121.867 1.711 . . . . 0.0 112.178 176.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -91.45 -68.08 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.332 0.587 . . . . 0.0 110.492 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' C ' ' HB2' ' A' ' 5' ' ' CYS . 20.3 p -84.9 56.73 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.033 178.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 8.5 pt20 -48.77 100.72 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.747 1.018 . . . . 0.0 113.747 -171.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.616 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 18.1 m80 -158.42 -172.33 3.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.126 174.116 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.489 HG13 ' HB3' ' A' ' 2' ' ' GLU . 94.6 t -68.19 129.92 33.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.148 0.499 . . . . 0.0 112.138 -176.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 mt -110.31 135.29 51.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.444 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -108.54 105.28 14.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -91.72 102.9 15.52 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.29 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -101.54 -86.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.912 -172.599 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -126.24 86.32 2.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.183 0.516 . . . . 0.0 110.43 -176.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.48 -35.62 2.64 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.17 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -112.67 138.69 49.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.75 112.32 23.92 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.664 0.269 . . . . 0.0 110.343 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -107.55 133.91 51.33 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.475 0.655 . . . . 0.0 110.481 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.625 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 12.8 m -61.91 139.07 58.41 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.334 177.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -88.01 -62.27 1.53 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.089 0.471 . . . . 0.0 110.125 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.5 ' HB2' ' HB3' ' A' ' 10' ' ' HIS . 0.7 OUTLIER -63.96 -48.63 75.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.826 -175.388 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.661 ' HB2' ' OE2' ' A' ' 26' ' ' GLU . 1.2 p -88.51 -33.9 17.6 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -176.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.403 ' H ' ' HB2' ' A' ' 21' ' ' CYS . . . 103.62 -18.47 47.47 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 120.351 -0.928 . . . . 0.0 115.271 169.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.661 ' OE2' ' HB2' ' A' ' 24' ' ' CYS . 18.5 mp0 -60.25 158.93 10.65 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 117.947 0.873 . . . . 0.0 111.103 -177.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -115.51 129.86 56.68 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 174.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.1 mt -116.43 129.52 72.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.642 -176.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -87.17 144.52 26.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 68.0 mtp -126.81 149.49 49.66 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.001 0.429 . . . . 0.0 110.988 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -108.98 130.7 55.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.218 -175.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.4 119.46 31.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.832 0.349 . . . . 0.0 111.152 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.4 mt -113.13 139.8 48.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.507 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.517 ' HB2' HD21 ' A' ' 41' ' ' LEU . 49.8 t -76.36 118.78 73.84 Favored Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.72 -43.41 40.3 Favored 'Trans proline' 0 N--CA 1.477 0.546 0 C-N-CA 123.166 2.577 . . . . 0.0 114.021 -171.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -72.25 0.15 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -178.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -74.69 -14.67 60.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.932 0.396 . . . . 0.0 111.612 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.72 18.29 10.51 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.951 0.9 . . . . 0.0 111.976 178.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.419 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 74.4 mt-30 -105.98 157.0 35.76 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.163 176.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 21.5 Cg_endo -60.3 156.36 41.1 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.231 2.62 . . . . 0.0 113.695 -174.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.56 HD13 ' HB3' ' A' ' 52' ' ' TYR . 89.1 mt -99.33 150.83 21.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.109 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -79.34 113.35 17.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.541 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.7 t -74.35 109.64 7.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.947 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 53' ' ' PHE . 87.5 mt -86.29 91.65 8.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.637 -178.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -84.39 87.51 7.22 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 174.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.18 -169.93 1.84 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.781 -176.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.0 m -75.33 86.93 2.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.988 0.423 . . . . 0.0 111.204 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.76 -7.01 82.63 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.553 176.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.96 131.38 51.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.799 0.333 . . . . 0.0 110.775 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 59.7 t -123.79 115.91 46.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 177.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -133.67 -173.8 3.34 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.281 -176.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.56 ' HB3' HD13 ' A' ' 41' ' ' LEU . 84.9 m-85 -129.11 118.26 22.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.437 0.636 . . . . 0.0 111.551 -175.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.563 ' HB2' HD11 ' A' ' 44' ' ' LEU . 88.4 t80 -107.18 132.23 53.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.077 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 51.7 t -80.86 89.25 5.84 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.508 ' O ' ' HB2' ' A' ' 56' ' ' HIS . 5.5 tm0? -75.8 101.51 5.12 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 2.1 t-80 164.44 -27.84 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 113.947 -1.479 . . . . 0.0 107.862 -170.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.82 51.87 0.25 Allowed Glycine 0 C--N 1.333 0.367 0 CA-C-N 115.183 -0.917 . . . . 0.0 113.119 175.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.58 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 37.2 m170 -132.13 -8.85 3.41 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 117.204 0.502 . . . . 0.0 111.42 175.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.03 -161.97 38.41 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.065 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.95 150.79 28.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 117.223 0.511 . . . . 0.0 110.377 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.0 mm -120.21 144.05 30.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.681 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.5 m -65.51 121.24 14.45 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.531 ' HB3' ' HD2' ' A' ' 52' ' ' TYR . 14.5 pttm -73.19 -5.75 41.3 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -172.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' A' ' 64' ' ' LYS . 46.7 mtpt -100.63 6.57 44.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.173 0.511 . . . . 0.0 110.222 171.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 65' ' ' ARG . 13.1 ttt180 -124.0 14.45 9.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.609 0.719 . . . . 0.0 109.453 -177.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.0 p -98.3 155.07 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.338 -176.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -93.63 116.73 29.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.802 0.334 . . . . 0.0 110.112 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -97.23 130.41 44.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.021 0.439 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.1 m -121.13 179.59 2.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.573 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.5 mt -78.24 143.9 36.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.709 0.29 . . . . 0.0 110.819 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.756 -0.64 . . . . 0.0 110.0 176.544 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.2 mtt . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -132.1 169.26 16.62 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -177.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.77 124.93 28.11 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 171.429 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -117.21 156.06 28.35 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 2.9 p -93.5 114.47 63.02 Favored Pre-proline 0 C--O 1.216 -0.692 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.832 -174.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 36.8 Cg_exo -60.83 -18.54 57.1 Favored 'Trans proline' 0 N--CA 1.474 0.372 0 C-N-CA 122.896 2.398 . . . . 0.0 113.267 -175.451 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -83.94 -36.44 23.26 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -176.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -135.39 2.44 2.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -173.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 45.89 84.05 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.571 1.148 . . . . 0.0 113.692 175.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -162.28 -177.94 6.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.767 171.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.4 p -72.36 134.99 28.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.504 0.669 . . . . 0.0 112.474 -173.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.706 HD21 HD12 ' A' ' 28' ' ' ILE . 18.0 mt -104.7 50.38 0.79 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.121 174.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.56 101.5 1.01 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.966 0.412 . . . . 0.0 109.94 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.552 ' HB3' ' HA ' ' A' ' 19' ' ' ALA . 10.1 pt20 -87.16 144.87 26.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.265 -176.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.61 -52.9 8.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.53 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -169.15 101.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.063 177.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.24 -53.52 4.78 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.54 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -88.69 124.89 34.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.699 0.285 . . . . 0.0 110.697 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.552 ' HA ' ' HB3' ' A' ' 14' ' ' GLN . . . -96.45 152.82 18.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.437 178.244 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -142.95 140.58 31.17 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.044 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.69 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 86.7 m -69.25 92.78 0.58 Allowed 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 170.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -60.51 -48.53 81.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.766 0.317 . . . . 0.0 111.225 -172.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -71.14 -36.82 72.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.26 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.69 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 2.3 m -79.5 -49.41 12.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.216 -174.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.26 -30.27 5.87 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.709 -177.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.1 156.82 35.64 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.949 0.404 . . . . 0.0 111.633 -175.004 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -99.19 151.74 20.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.458 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.706 HD12 HD21 ' A' ' 12' ' ' LEU . 51.2 mt -137.17 120.12 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 0.0 110.223 176.267 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -74.88 139.63 43.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.498 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 83.7 mtp -128.13 155.17 44.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.187 177.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -118.84 138.16 52.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.137 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.443 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -92.71 119.1 31.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.702 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.0 mt -126.67 160.81 29.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.078 0.465 . . . . 0.0 111.251 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.493 ' HB2' HD21 ' A' ' 41' ' ' LEU . 48.3 t -77.65 124.49 86.54 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 172.541 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -50.81 -41.54 54.6 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.418 2.745 . . . . 0.0 113.433 -174.636 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.0 -78.35 0.1 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -177.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 p -72.09 -14.54 61.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -173.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.3 m80 59.05 25.05 13.39 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.297 0.57 . . . . 0.0 111.628 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -89.86 152.61 46.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.062 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -60.52 130.15 32.42 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.866 2.378 . . . . 0.0 112.062 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.527 HD13 ' HB3' ' A' ' 52' ' ' TYR . 97.5 mt -80.53 142.54 34.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.375 178.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 35.5 tt0 -83.67 122.35 28.5 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.818 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.0 t -74.44 110.72 9.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.262 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.6 mt -87.43 106.53 18.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.349 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -94.77 93.46 7.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.513 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.0 -176.45 3.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.158 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.6 p -83.01 81.74 8.54 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.203 0.525 . . . . 0.0 110.763 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.74 -38.65 2.38 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.952 177.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.19 146.37 50.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.178 0.513 . . . . 0.0 111.858 -173.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.4 t -117.07 128.14 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.748 177.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -125.39 167.87 14.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.998 0.427 . . . . 0.0 110.89 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.527 ' HB3' HD13 ' A' ' 41' ' ' LEU . 45.0 m-85 -114.02 114.25 25.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.202 -175.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -101.01 130.72 47.05 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.831 -176.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.587 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 50.8 t -87.24 89.52 8.03 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -67.54 95.24 0.46 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.872 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 172.22 -40.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.446 -1.252 . . . . 0.0 108.384 -175.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.09 46.07 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.724 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.587 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 35.8 m170 -126.94 -1.15 6.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 117.006 0.403 . . . . 0.0 111.14 176.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.42 -135.39 22.22 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.241 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.4 mt -96.66 132.01 42.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.075 0.464 . . . . 0.0 111.112 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.4 mm -95.14 128.61 46.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.206 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.6 m -56.94 142.67 40.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.541 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -57.21 -38.22 73.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.985 -171.766 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -84.79 -9.63 57.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.936 0.398 . . . . 0.0 110.609 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -89.43 -16.35 31.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.5 -177.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.443 HG11 ' HB1' ' A' ' 32' ' ' ALA . 96.3 t -58.56 129.86 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.389 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -87.78 109.74 19.96 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -91.27 112.01 23.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.378 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.1 m -104.2 169.53 2.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.9 mt -82.06 148.72 28.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.561 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.337 177.089 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mmm . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 121.161 0.505 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -117.36 81.96 1.74 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.901 -176.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.1 tp -72.81 125.04 26.6 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 34.5 m-70 -80.87 151.34 28.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.63 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.514 ' HB2' ' N ' ' A' ' 9' ' ' GLN . 55.6 m -74.73 125.62 89.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.875 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.81 -42.15 71.47 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.516 2.144 . . . . 0.0 112.105 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -92.77 -68.68 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.019 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.79 13.62 2.07 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -170.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.514 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 33.8 mm-40 68.57 -69.8 0.14 Allowed 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 168.22 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -46.3 -97.19 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -160.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.2 t -143.52 140.75 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 O-C-N 121.75 -0.594 . . . . 0.0 111.881 -170.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.434 HD21 HD12 ' A' ' 28' ' ' ILE . 96.0 mt -106.22 163.96 12.39 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.391 173.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.651 ' HB2' ' HG2' ' A' ' 22' ' ' ARG . 36.2 t70 -139.54 108.1 5.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.099 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -103.3 130.01 50.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.234 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -136.06 -78.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.252 171.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -93.11 49.65 1.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.929 -176.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.45 -37.79 2.25 Favored Glycine 0 CA--C 1.517 0.168 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.445 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -79.99 143.13 34.39 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.767 -0.255 . . . . 0.0 110.376 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.64 107.86 16.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.486 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.425 ' CD ' ' HD1' ' A' ' 27' ' ' PHE . 46.7 mmm-85 -95.99 127.81 42.33 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.941 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.652 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 99.1 m -74.13 90.0 2.02 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.17 176.165 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.651 ' HG2' ' HB2' ' A' ' 13' ' ' ASP . 12.5 ptt180 -82.32 57.47 3.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.85 0.833 . . . . 0.0 109.994 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.4 m -165.28 -54.62 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.372 -1.285 . . . . 0.0 108.491 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.652 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.1 OUTLIER -93.82 -51.71 4.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.913 178.781 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.25 -22.35 3.4 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 120.349 -0.929 . . . . 0.0 114.584 173.597 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.581 ' OE2' ' HB2' ' A' ' 24' ' ' CYS . 9.8 mp0 -56.92 156.18 7.08 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -172.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.425 ' HD1' ' CD ' ' A' ' 20' ' ' ARG . 51.0 t80 -110.1 112.92 25.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.986 -1.007 . . . . 0.0 109.571 172.353 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.434 HD12 HD21 ' A' ' 12' ' ' LEU . 64.5 mt -116.05 139.77 41.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.919 0.39 . . . . 0.0 110.125 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -114.96 134.88 54.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.981 0.419 . . . . 0.0 110.19 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.469 ' HG2' HD23 ' A' ' 70' ' ' LEU . 74.3 mtp -113.84 119.19 36.48 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -74.52 131.95 41.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.415 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -90.16 101.47 14.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.965 175.436 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.4 mt -111.41 162.05 15.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.741 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.49 ' HB2' HD21 ' A' ' 41' ' ' LEU . 40.5 t -78.55 111.11 16.71 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.438 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 53.2 Cg_exo -56.25 -23.6 46.53 Favored 'Trans proline' 0 N--CA 1.476 0.485 0 C-N-CA 123.414 2.742 . . . . 0.0 114.117 -171.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -24.0 56.77 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.615 0.245 . . . . 0.0 111.371 -176.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.8 p -135.25 -11.83 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -175.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.1 m80 59.88 23.93 12.97 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 122.827 0.451 . . . . 0.0 111.381 -176.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -96.38 150.82 37.58 Favored Pre-proline 0 C--O 1.237 0.432 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -56.96 139.75 90.5 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 123.209 2.606 . . . . 0.0 113.502 -177.277 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.549 HD13 ' HB3' ' A' ' 52' ' ' TYR . 52.5 mt -92.13 152.28 19.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.905 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -95.57 113.67 25.34 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 174.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.6 t -75.8 101.6 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.368 -175.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.541 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 78.0 mt -87.58 89.19 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.72 176.521 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -112.36 112.07 23.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.558 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.49 -49.26 7.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.678 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.5 t -162.8 -74.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.74 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.47 -18.44 11.88 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 177.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.52 138.53 33.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.378 -0.411 . . . . 0.0 110.347 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.5 p -138.44 124.75 25.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.131 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.541 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 6.1 m-20 -113.78 134.99 54.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.126 -178.387 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.549 ' HB3' HD13 ' A' ' 41' ' ' LEU . 82.3 m-85 -89.16 102.33 14.98 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.134 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -100.66 116.81 33.45 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.481 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 41.8 t -78.25 88.76 4.3 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 20.8 tm0? -71.9 94.98 1.49 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.523 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 177.47 -31.3 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.146 -1.388 . . . . 0.0 108.073 -173.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.76 49.66 0.19 Allowed Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.415 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.537 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 39.3 m170 -128.97 -26.94 2.57 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.957 0.378 . . . . 0.0 111.275 177.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.13 -155.39 18.63 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.919 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 51' ' ' ASP . 96.1 mt -91.09 137.81 32.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.08 0.467 . . . . 0.0 111.563 -176.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 46.2 mm -113.26 140.56 32.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.025 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.7 m -69.56 161.18 30.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.173 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.447 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . 62.1 tttm -76.84 -24.23 52.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.159 0.504 . . . . 0.0 110.31 -178.143 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -84.08 -7.2 59.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.505 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 35' ' ' PRO . 32.8 ttm180 -118.31 24.82 10.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.42 -170.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.415 HG21 ' HB1' ' A' ' 32' ' ' ALA . 13.9 p -98.87 153.65 4.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.647 -177.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -97.81 123.88 41.95 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -107.34 112.0 24.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.773 0.321 . . . . 0.0 110.468 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.9 m -112.94 142.85 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.913 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.469 HD23 ' HG2' ' A' ' 30' ' ' MET . 95.2 mt -72.99 135.62 44.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.484 -0.769 . . . . 0.0 110.279 175.883 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtm . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.24 112.37 1.21 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.105 0.478 . . . . 0.0 112.033 -176.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.5 mt -79.84 153.63 28.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.952 173.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -114.4 162.73 16.27 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.3 t -82.85 103.78 2.87 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -45.95 -41.62 20.6 Favored 'Trans proline' 0 N--CA 1.476 0.493 0 C-N-CA 123.672 2.915 . . . . 0.0 114.839 -165.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -76.31 -45.82 30.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -172.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.3 p -104.97 -4.69 21.77 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -173.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.457 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 16.0 mm-40 46.51 73.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 123.759 0.824 . . . . 0.0 112.371 -176.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -138.11 166.25 24.59 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.768 175.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.4 131.62 30.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.325 0.583 . . . . 0.0 111.724 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.486 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 82.4 mt -97.97 101.43 12.91 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 168.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.93 109.73 2.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.817 0.342 . . . . 0.0 111.491 -176.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -77.06 95.6 4.24 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 171.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -106.02 -89.79 0.43 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.372 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -136.4 115.83 12.74 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.39 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.48 -67.65 2.77 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.3 174.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.465 ' HB3' ' HA ' ' A' ' 29' ' ' GLU . 23.8 m-70 -127.45 170.94 12.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.048 0.424 . . . . 0.0 111.031 -175.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.486 ' HB1' ' HB3' ' A' ' 12' ' ' LEU . . . -97.59 147.16 24.57 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.47 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.562 ' HA ' ' HD1' ' A' ' 27' ' ' PHE . 41.4 mtp180 -130.79 131.07 44.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.551 -177.362 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 t -103.93 94.89 5.65 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.472 ' O ' ' HB2' ' A' ' 23' ' ' SER . 2.8 ptp85 -68.5 88.9 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.508 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.472 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 34.0 t 171.08 -58.14 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.53 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.891 ' SG ' ' HB3' ' A' ' 26' ' ' GLU . 9.0 p -94.02 -14.32 25.98 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -169.007 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.48 2.53 63.83 Favored Glycine 0 C--O 1.229 -0.182 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -172.009 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.891 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -95.28 104.58 16.48 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.233 -0.984 . . . . 0.0 108.874 -179.627 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.562 ' HD1' ' HA ' ' A' ' 20' ' ' ARG . 61.7 m-85 -109.3 140.18 43.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.499 -174.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.489 HG21 HD22 ' A' ' 70' ' ' LEU . 43.0 mm -106.77 111.8 37.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 0.6 OUTLIER -71.63 119.2 15.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.432 0.634 . . . . 0.0 110.124 -178.424 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.498 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 46.4 mtt -85.08 113.87 21.8 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.588 174.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' A' ' 31' ' ' LYS . 4.2 ttmp? -87.07 130.56 34.44 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.81 -178.155 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.471 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -81.32 103.15 10.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.624 -174.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.9 mt -109.9 155.37 21.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.816 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.456 ' HB2' HD21 ' A' ' 41' ' ' LEU . 42.3 t -76.92 131.41 73.31 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.8 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.82 -34.75 66.84 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 123.124 2.549 . . . . 0.0 113.244 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.32 -82.78 0.19 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.529 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 p -64.52 -19.42 65.59 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -175.466 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.448 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 19.5 m170 64.35 18.05 11.11 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 177.44 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.442 HE21 ' HB3' ' A' ' 39' ' ' GLN . 20.9 mt-30 -80.58 146.69 61.49 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 171.418 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -59.16 124.48 15.71 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.721 2.281 . . . . 0.0 111.432 176.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' A' ' 34' ' ' CYS . 79.9 mt -66.95 142.8 57.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.073 -177.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 55.8 tp60 -73.89 115.55 13.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.933 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.6 t -74.04 97.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.463 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.517 HD11 ' HB2' ' A' ' 53' ' ' PHE . 70.2 mt -83.36 95.98 8.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.35 -179.048 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -90.35 92.46 8.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.056 0.455 . . . . 0.0 109.887 176.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.15 84.69 4.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.037 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 61.7 m 66.06 -78.55 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.38 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -123.99 -5.86 7.29 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.383 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.62 148.62 26.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.58 0.229 . . . . 0.0 110.777 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 66.8 t -127.74 115.36 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.773 0.321 . . . . 0.0 110.689 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -114.65 160.69 19.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.362 178.399 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.438 ' HB3' HD13 ' A' ' 41' ' ' LEU . 91.6 m-85 -117.35 109.36 16.72 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 176.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.517 ' HB2' HD11 ' A' ' 44' ' ' LEU . 56.3 t80 -107.07 134.88 49.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.918 0.39 . . . . 0.0 111.331 -175.588 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 42.8 t -94.42 93.06 7.45 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 175.504 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -68.45 95.34 0.61 Allowed 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.471 0.653 . . . . 0.0 109.745 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 176.01 -28.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.017 -1.447 . . . . 0.0 108.074 -174.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.69 33.25 1.02 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.817 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.449 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 38.4 m170 -110.19 -3.28 16.41 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.402 -0.469 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.32 -164.59 35.03 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.825 175.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.85 120.65 34.38 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.449 HG23 ' HB3' ' A' ' 65' ' ' ARG . 70.0 mt -92.5 124.56 44.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.785 -176.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.8 m -69.36 160.89 30.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.015 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -62.96 -21.12 65.87 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -175.095 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -96.57 -8.42 31.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.881 0.372 . . . . 0.0 110.74 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.449 ' HB3' HG23 ' A' ' 61' ' ' ILE . 32.5 ttt180 -103.84 -6.15 21.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.225 0.536 . . . . 0.0 110.263 -172.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.471 HG21 ' HB1' ' A' ' 32' ' ' ALA . 7.2 p -87.3 151.14 3.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.602 -177.496 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -92.54 115.42 28.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.498 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 45.4 m-85 -93.51 123.47 36.84 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.65 178.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 30' ' ' MET . 33.4 m -110.55 160.4 9.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.005 175.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.489 HD22 HG21 ' A' ' 28' ' ' ILE . 60.3 mt -84.48 93.39 8.31 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.975 -179.04 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -79.7 71.83 6.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.901 0.381 . . . . 0.0 111.594 -179.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.8 mt -81.27 103.76 11.27 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 174.362 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.723 ' HB3' ' OE1' ' A' ' 9' ' ' GLN . 73.6 m-70 -103.99 160.53 14.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.154 0.502 . . . . 0.0 111.547 -174.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.46 ' HB3' ' OE1' ' A' ' 26' ' ' GLU . 4.3 m -96.53 133.89 24.09 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.461 178.188 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -66.19 -31.61 44.4 Favored 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 122.251 1.967 . . . . 0.0 112.455 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -97.55 -49.13 5.0 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.2 p -120.38 76.84 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.321 0.581 . . . . 0.0 110.361 -177.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.723 ' OE1' ' HB3' ' A' ' 4' ' ' HIS . 16.9 mm-40 -46.64 112.57 0.52 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.603 -1.181 . . . . 0.0 112.975 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -165.95 -78.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.077 172.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -170.4 143.32 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.171 0.51 . . . . 0.0 111.31 177.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.3 mt -105.21 140.05 38.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.099 172.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.644 ' HB2' ' HB2' ' A' ' 22' ' ' ARG . 38.7 t70 -94.28 141.88 28.05 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -121.4 103.26 8.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.907 0.384 . . . . 0.0 111.43 -175.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -119.04 -35.21 3.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.444 0.64 . . . . 0.0 109.944 174.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.403 ' C ' ' H ' ' A' ' 18' ' ' HIS . 31.1 m-80 -131.79 -164.1 1.41 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.054 176.013 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.69 30.0 2.59 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.275 174.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.403 ' H ' ' C ' ' A' ' 16' ' ' ASN . 62.7 m-70 -131.97 120.72 22.85 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.01 100.28 12.96 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.219 0.533 . . . . 0.0 110.816 -175.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -99.31 129.05 45.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.215 177.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.535 ' HB2' ' H ' ' A' ' 26' ' ' GLU . 58.3 m -69.64 106.97 3.24 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.644 ' HB2' ' HB2' ' A' ' 13' ' ' ASP . 0.6 OUTLIER -81.18 47.07 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.467 0.651 . . . . 0.0 109.266 176.396 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.3 p -174.88 -73.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.868 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -69.65 -19.07 63.62 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -175.304 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.6 29.82 46.91 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.668 -0.777 . . . . 0.0 113.793 174.414 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.535 ' H ' ' HB2' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -103.3 151.66 22.44 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 177.473 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -115.06 125.42 53.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.004 0.43 . . . . 0.0 110.758 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 57.9 mt -132.48 147.7 31.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.518 ' HG3' ' HB3' ' A' ' 71' ' ' ALA . 10.0 pt-20 -117.13 148.38 41.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.061 0.458 . . . . 0.0 110.194 174.498 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.457 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 77.9 mtp -108.71 112.05 24.14 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 177.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.507 ' HE2' HD21 ' A' ' 33' ' ' LEU . 80.9 tttt -74.17 119.37 18.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.452 -171.074 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.45 96.33 6.03 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.927 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.507 HD21 ' HE2' ' A' ' 31' ' ' LYS . 84.7 mt -110.24 160.54 16.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.975 -178.278 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.512 ' HB2' HD21 ' A' ' 41' ' ' LEU . 45.3 t -87.74 120.36 70.91 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 172.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -56.18 -21.66 36.62 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 123.297 2.664 . . . . 0.0 114.232 -171.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -92.51 -13.79 29.33 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -176.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 34' ' ' CYS . 3.6 p -140.47 -2.22 1.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -176.447 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 52.2 13.32 0.27 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.386 1.074 . . . . 0.0 113.232 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.413 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 21.7 mt-30 -89.15 147.12 37.74 Favored Pre-proline 0 C--O 1.238 0.475 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 39' ' ' GLN . 32.1 Cg_exo -59.02 127.35 23.92 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 123.141 2.561 . . . . 0.0 112.189 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.545 HD13 ' HB3' ' A' ' 52' ' ' TYR . 88.7 mt -70.27 133.76 47.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.542 177.601 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.7 tp60 -66.2 109.2 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.786 178.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.07 101.58 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.102 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.479 HD12 ' HB2' ' A' ' 51' ' ' ASP . 84.1 mt -77.83 86.47 4.07 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.803 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -90.49 92.22 8.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.372 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.79 20.67 16.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.628 -173.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.7 m 66.53 88.68 0.11 Allowed 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.66 0.6 . . . . 0.0 111.016 -178.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.8 -24.58 30.26 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.524 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.41 136.01 54.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.469 -0.365 . . . . 0.0 110.033 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.3 t -135.97 114.03 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 123.326 0.391 . . . . 0.0 110.386 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.479 ' HB2' HD12 ' A' ' 44' ' ' LEU . 44.9 m-20 -122.13 154.68 37.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.243 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.545 ' HB3' HD13 ' A' ' 41' ' ' LEU . 95.1 m-85 -107.79 109.84 21.5 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 177.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -106.48 133.88 50.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.923 0.392 . . . . 0.0 111.564 -174.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 44.3 t -111.63 103.18 11.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.492 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -74.77 94.87 2.8 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -179.96 23.89 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.759 -176.192 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.57 28.71 73.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.087 -175.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.4 m170 -111.53 -21.61 11.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.825 0.345 . . . . 0.0 110.824 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.31 -149.5 35.65 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.771 176.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 mp -86.63 130.22 34.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.032 0.444 . . . . 0.0 110.823 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.6 mm -102.11 126.1 56.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.256 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -62.79 142.75 58.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.097 177.648 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HA ' HG23 ' A' ' 66' ' ' VAL . 37.3 ttpt -63.01 -31.96 73.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.706 0.289 . . . . 0.0 111.747 -171.505 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -75.98 -13.11 60.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.103 0.477 . . . . 0.0 110.476 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -102.17 -0.07 33.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.41 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.471 HG23 ' HA ' ' A' ' 63' ' ' LYS . 89.0 t -74.34 139.82 18.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.459 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -86.11 104.73 15.97 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.531 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.457 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 96.0 m-85 -96.03 109.56 21.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.24 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.9 m -100.51 150.24 5.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.177 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.4 tp -82.03 107.16 14.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.208 -175.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.518 ' HB3' ' HG3' ' A' ' 29' ' ' GLU . . . . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.638 -178.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.899 0.38 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.501 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -103.24 97.43 7.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.368 0.604 . . . . 0.0 110.076 177.511 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 mp -85.84 163.77 17.92 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.369 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -112.97 153.17 28.46 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.165 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 15.8 t -74.84 117.76 65.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 178.719 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -45.66 -33.09 9.47 Favored 'Trans proline' 0 N--CA 1.475 0.402 0 C-N-CA 123.656 2.904 . . . . 0.0 114.452 -170.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -90.87 -73.62 0.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.0 0.429 . . . . 0.0 111.392 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.9 p -85.33 2.27 44.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.445 -171.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 17.0 mm-40 62.37 -103.74 0.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.96 0.504 . . . . 0.0 111.563 -178.686 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 52.6 -92.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.061 0.544 . . . . 0.0 111.046 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.8 p -178.4 146.65 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.476 HD13 ' HB1' ' A' ' 19' ' ' ALA . 51.7 mt -97.7 99.82 11.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.154 174.681 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -89.18 91.05 8.63 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 175.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -73.16 126.79 30.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.352 -170.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -65.98 -57.58 7.47 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.972 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -173.03 -58.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.228 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.43 15.43 15.03 Favored Glycine 0 C--O 1.228 -0.251 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.355 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -136.99 139.2 41.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.558 0.218 . . . . 0.0 110.575 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.476 ' HB1' HD13 ' A' ' 12' ' ' LEU . . . -92.55 90.33 7.1 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 172.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 ttm105 -101.53 117.88 35.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.376 0.608 . . . . 0.0 111.412 -173.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 48.9 t -84.54 90.08 7.57 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.062 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.44 ' O ' ' HB2' ' A' ' 23' ' ' SER . 41.6 mtt180 -64.35 89.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.513 -176.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 31.6 t 170.47 -53.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.279 -176.266 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.825 ' SG ' ' HB3' ' A' ' 26' ' ' GLU . 18.6 p -93.62 -16.63 24.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.798 -173.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.04 -37.8 3.08 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -172.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.825 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 2.6 tt0 -48.13 107.01 0.11 Allowed 'General case' 0 C--O 1.239 0.502 0 C-N-CA 124.076 0.95 . . . . 0.0 111.124 172.017 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -126.83 135.38 50.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.368 177.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 29' ' ' GLU . 54.3 mt -110.37 137.65 41.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.052 -173.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.433 ' O ' HG22 ' A' ' 28' ' ' ILE . 6.4 mp0 -72.94 155.62 39.68 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 173.278 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.0 mtp -121.94 136.35 54.92 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.761 ' HE3' ' HA ' ' A' ' 71' ' ' ALA . 96.7 mttt -84.47 122.13 28.55 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.179 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.31 94.73 7.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.261 178.012 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.2 mt -103.41 162.73 12.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.173 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.435 ' HB2' HD21 ' A' ' 41' ' ' LEU . 26.1 t -84.84 130.95 50.77 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 176.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -56.64 -34.9 96.76 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.887 2.391 . . . . 0.0 112.837 -175.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.74 -75.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.123 -177.537 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 p -74.38 -10.16 59.3 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -174.421 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 64.14 5.98 2.71 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -86.26 144.68 38.76 Favored Pre-proline 0 N--CA 1.446 -0.633 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.54 143.23 56.97 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.454 2.77 . . . . 0.0 113.342 -175.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.503 HD12 HG13 ' A' ' 66' ' ' VAL . 96.5 mt -91.83 137.4 32.39 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.245 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.476 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 35.9 tt0 -74.0 112.4 10.09 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 177.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.6 t -73.73 116.45 16.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.397 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.516 HD11 ' HB2' ' A' ' 53' ' ' PHE . 43.3 mt -107.04 92.77 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.329 -178.734 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -97.18 110.06 22.69 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.052 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.99 89.16 2.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.466 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.2 t 67.81 -71.54 0.1 Allowed 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.469 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -119.52 -44.47 0.47 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.714 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.49 156.61 22.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.91 0.386 . . . . 0.0 111.215 -178.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 7.4 p -138.38 135.0 44.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.396 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -123.57 170.81 10.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.009 0.433 . . . . 0.0 110.382 177.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.442 ' HB3' HD13 ' A' ' 41' ' ' LEU . 84.3 m-85 -124.39 113.71 18.54 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.516 ' HB2' HD11 ' A' ' 44' ' ' LEU . 52.7 t80 -104.33 118.23 36.12 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.865 -171.494 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 36.8 t -95.94 94.39 7.58 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.685 173.459 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -79.27 94.68 5.49 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -177.03 29.41 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.062 -175.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.18 18.07 77.08 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.361 -176.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 60.6 m170 -109.18 -56.59 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.91 -141.97 15.83 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.327 -0.94 . . . . 0.0 112.589 175.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.6 mt -73.68 119.33 17.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.974 0.416 . . . . 0.0 111.181 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.9 mm -93.61 136.64 24.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.631 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.8 t -62.21 140.88 58.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.385 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -64.36 -19.79 65.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -89.85 -11.53 41.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.694 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -113.43 15.64 19.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.291 0.567 . . . . 0.0 110.539 -172.004 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.503 HG13 HD12 ' A' ' 41' ' ' LEU . 57.7 t -81.35 143.06 12.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.277 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -82.37 102.07 11.01 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.471 ' CZ ' ' HB ' ' A' ' 66' ' ' VAL . 84.1 m-85 -94.58 102.84 14.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.993 -176.045 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.421 ' CG2' ' HB2' ' A' ' 31' ' ' LYS . 34.7 m -109.11 157.98 9.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.172 176.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.51 150.09 45.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.337 -0.392 . . . . 0.0 109.997 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.761 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.444 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -84.71 107.39 16.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.971 -175.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.7 mt -93.54 144.25 25.54 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 173.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -110.81 157.68 19.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.877 0.37 . . . . 0.0 111.511 -174.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.4 t -74.47 127.9 86.71 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.662 177.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -63.44 -18.37 64.25 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.437 2.092 . . . . 0.0 112.187 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -105.13 -81.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.701 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.0 p -92.31 70.73 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.474 0.654 . . . . 0.0 109.406 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -32.26 112.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 113.666 -1.606 . . . . 0.0 112.331 175.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -153.61 -82.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.445 -1.252 . . . . 0.0 108.578 -177.442 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p -176.93 144.3 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.066 176.403 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.0 mt -86.33 96.28 9.93 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.922 0.392 . . . . 0.0 110.272 176.252 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.572 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 14.2 t70 -66.56 105.18 1.44 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.236 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 19' ' ' ALA . 6.8 pt20 -112.14 135.77 52.38 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.074 0.464 . . . . 0.0 111.324 -174.544 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -148.7 146.94 28.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.529 -178.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 73.28 -44.01 0.57 Allowed 'General case' 0 N--CA 1.471 0.621 0 O-C-N 123.706 0.629 . . . . 0.0 112.109 177.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.78 1.05 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.375 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 -136.96 160.66 38.25 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.709 -0.289 . . . . 0.0 110.325 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . . . -100.47 162.81 12.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.093 0.473 . . . . 0.0 111.322 -176.318 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.572 ' HG2' ' O ' ' A' ' 13' ' ' ASP . 36.5 ptt180 -148.19 144.01 27.43 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.24 176.582 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.5 t -110.08 107.81 17.79 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 171.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 22' ' ' ARG . 50.2 mtp180 -60.37 -28.9 68.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.967 -173.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.1 t -82.93 -12.73 57.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.858 0.361 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.5 m -93.89 -68.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.394 0.616 . . . . 0.0 110.746 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.51 -19.81 11.37 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -168.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -75.91 138.08 40.8 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.249 -0.476 . . . . 0.0 110.833 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -110.21 138.31 46.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.261 173.322 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.3 mt -115.08 121.86 67.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.033 -172.78 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -71.55 123.02 21.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.875 0.369 . . . . 0.0 110.205 174.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 81.6 mtp -110.94 130.39 55.6 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 174.729 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -98.13 118.93 35.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.955 0.407 . . . . 0.0 110.929 -175.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.43 102.91 8.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.145 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.2 mt -100.02 163.19 12.54 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.89 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.517 ' HB2' HD21 ' A' ' 41' ' ' LEU . 44.0 t -91.97 115.78 65.25 Favored Pre-proline 0 C--N 1.316 -0.867 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 173.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.25 -36.42 77.82 Favored 'Trans proline' 0 N--CA 1.475 0.427 0 C-N-CA 122.988 2.459 . . . . 0.0 113.195 -173.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -83.25 2.53 35.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.829 -177.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.8 m -128.27 -35.07 2.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.819 0.343 . . . . 0.0 110.834 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.8 t60 67.55 14.01 9.45 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.099 0.959 . . . . 0.0 110.188 -174.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.435 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 76.8 mt-30 -110.24 156.11 40.75 Favored Pre-proline 0 C--O 1.237 0.419 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.759 175.445 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 32.1 Cg_endo -62.9 151.41 84.55 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.961 2.44 . . . . 0.0 113.543 -173.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 52' ' ' TYR . 95.5 mt -90.08 157.72 17.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.667 177.045 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.552 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 53.6 tt0 -89.04 130.36 35.51 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.745 177.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.7 t -79.1 117.28 24.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.128 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.52 HD11 ' HB2' ' A' ' 53' ' ' PHE . 85.1 mt -97.4 108.81 21.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.181 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -102.95 90.81 3.89 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 171.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.38 -81.42 0.57 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.948 0.404 . . . . 0.0 110.251 -173.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 32.3 m -86.55 -149.43 0.14 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 174.112 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.43 21.24 5.35 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.267 172.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.26 134.37 50.07 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -176.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.2 t -94.21 129.51 44.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.477 ' HB3' HD12 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -127.99 -177.13 4.01 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.439 -177.912 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.54 ' HB3' HD13 ' A' ' 41' ' ' LEU . 85.1 m-85 -131.37 126.49 35.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 111.196 -175.153 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.552 ' HB3' ' HB3' ' A' ' 42' ' ' GLN . 78.1 t80 -111.4 133.27 53.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.528 179.008 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 41.9 t -85.76 89.07 7.65 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -73.1 94.71 1.95 Allowed 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 173.79 -32.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.277 -174.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 130.93 45.2 0.16 Allowed Glycine 0 C--N 1.334 0.443 0 CA-C-N 115.461 -0.79 . . . . 0.0 113.481 176.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.576 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 30.4 m170 -131.51 -7.78 3.69 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 117.478 0.639 . . . . 0.0 111.845 177.383 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.52 -154.24 38.01 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.33 -0.938 . . . . 0.0 111.45 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.2 mp -75.02 140.85 43.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.922 0.391 . . . . 0.0 110.434 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.414 HG13 HD21 ' A' ' 41' ' ' LEU . 33.3 mm -101.89 139.16 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.086 0.469 . . . . 0.0 111.298 -175.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.81 147.04 52.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.302 179.275 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 63' ' ' LYS . 10.7 mptt -78.98 -17.15 55.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.915 0.388 . . . . 0.0 110.616 -177.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -89.45 -4.57 57.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.212 0.529 . . . . 0.0 110.035 173.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 65' ' ' ARG . 12.6 ttp180 -124.18 32.53 5.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.724 0.773 . . . . 0.0 109.668 -175.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.9 p -105.58 150.21 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.101 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -105.39 101.8 11.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.797 0.332 . . . . 0.0 110.168 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -87.26 112.31 21.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.737 0.303 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.4 m -107.4 145.71 14.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.919 0.39 . . . . 0.0 110.394 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.0 tt -86.72 122.5 30.71 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.827 -178.339 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.6 ttm . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.916 0.389 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -145.75 157.38 43.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.134 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.1 mt -112.39 146.8 37.7 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 176.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . 0.476 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 37.8 m80 -112.71 156.79 22.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.886 0.374 . . . . 0.0 111.146 -177.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 8' ' ' CYS . 40.0 m -75.23 126.01 88.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.982 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.92 -46.31 34.59 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.747 2.298 . . . . 0.0 112.687 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -99.0 -59.73 1.67 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.38 0.61 . . . . 0.0 110.561 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 5' ' ' CYS . 8.6 p -86.55 61.56 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.503 -175.68 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -29.4 101.54 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.805 1.315 . . . . 0.0 113.514 -177.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.476 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 0.4 OUTLIER -169.45 -173.63 1.73 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.41 178.342 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.1 t -89.07 134.42 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.259 0.552 . . . . 0.0 111.868 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.423 HD21 HD12 ' A' ' 28' ' ' ILE . 83.3 mt -99.82 124.02 44.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.885 173.42 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -104.35 124.1 48.59 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -96.48 149.98 21.13 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.16 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -139.69 -72.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.859 0.361 . . . . 0.0 110.7 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -102.47 -71.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.651 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.36 9.52 0.51 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.501 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -119.25 150.48 40.02 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.568 ' HB3' ' HB ' ' A' ' 28' ' ' ILE . . . -92.54 115.54 28.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.265 0.555 . . . . 0.0 109.582 178.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 20' ' ' ARG . 16.8 mmm180 -97.4 114.59 26.44 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.165 -176.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.654 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 85.1 m -68.66 92.33 0.47 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 171.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -70.58 -24.39 62.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.619 -169.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 p -102.29 -58.63 1.84 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.217 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.654 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.2 OUTLIER -63.29 -43.73 97.05 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.701 -178.026 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.46 -45.47 1.2 Allowed Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.121 -1.038 . . . . 0.0 114.446 172.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 5.8 pm0 -58.65 162.76 3.68 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -171.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -100.0 140.77 33.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.676 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.568 ' HB ' ' HB3' ' A' ' 19' ' ' ALA . 64.8 mt -122.95 106.47 17.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.179 0.514 . . . . 0.0 110.261 174.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.53 129.5 38.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.024 175.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' MET . . . . . 0.461 ' SD ' ' HB3' ' A' ' 68' ' ' PHE . 42.1 mtt -109.14 134.38 51.79 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.929 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.716 ' HZ3' HD11 ' A' ' 33' ' ' LEU . 42.8 tttm -82.95 102.12 11.5 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.239 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.7 98.82 4.87 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.008 -176.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.716 HD11 ' HZ3' ' A' ' 31' ' ' LYS . 87.0 mt -114.84 164.21 14.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.943 -177.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.506 ' HB2' HD21 ' A' ' 41' ' ' LEU . 41.5 t -93.57 118.09 67.44 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 172.353 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -64.99 -18.96 63.62 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.913 2.409 . . . . 0.0 113.444 -170.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.0 p30 -86.25 -14.93 42.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 38' ' ' HIS . 5.6 p -139.37 -6.98 1.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -175.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.453 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 10.5 m170 70.7 0.06 3.16 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.778 0.431 . . . . 0.0 111.864 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -91.39 149.5 39.68 Favored Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 121.206 -0.197 . . . . 0.0 110.629 -176.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.07 152.44 81.27 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 123.021 2.481 . . . . 0.0 112.723 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 34' ' ' CYS . 96.6 mt -92.21 132.68 36.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.623 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -76.34 128.69 35.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.971 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.9 t -81.56 111.05 17.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.3 mt -88.13 107.07 18.58 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -91.75 133.5 35.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.301 -175.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.79 14.98 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.468 176.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.1 t 70.38 -74.25 0.09 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.445 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.01 -32.61 65.91 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.895 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.12 147.12 50.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.4 p -138.56 138.6 42.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.354 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.493 ' HB3' HD22 ' A' ' 60' ' ' LEU . 2.7 m-20 -126.25 157.47 38.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.179 0.514 . . . . 0.0 111.693 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.471 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.9 m-85 -107.45 104.14 13.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.373 -0.831 . . . . 0.0 108.989 176.011 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -100.9 123.78 45.6 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.008 0.433 . . . . 0.0 111.273 -175.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.514 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 40.5 t -91.51 92.67 8.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.678 175.087 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.41 95.11 2.66 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 172.42 20.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.205 -1.362 . . . . 0.0 109.325 -173.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.75 26.27 58.97 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.107 -0.568 . . . . 0.0 113.383 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.514 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 53.1 m170 -114.38 -16.64 11.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.302 0.551 . . . . 0.0 111.255 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.68 -153.24 38.29 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.722 -0.751 . . . . 0.0 113.057 175.133 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.493 HD22 ' HB3' ' A' ' 51' ' ' ASP . 90.7 mt -81.61 122.57 27.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.72 0.295 . . . . 0.0 110.733 -178.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.2 mm -90.39 127.12 43.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.113 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.2 m -70.2 159.13 34.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.256 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -48.62 -53.37 18.78 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.633 -175.024 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -86.22 7.74 23.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.275 0.559 . . . . 0.0 111.136 -174.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.3 ttm105 -104.35 -7.02 20.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.287 0.565 . . . . 0.0 109.794 176.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.8 t -75.67 132.86 32.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.67 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -90.56 107.44 19.17 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.461 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 92.7 m-85 -96.27 104.2 16.14 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.535 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.424 HG23 ' HB3' ' A' ' 31' ' ' LYS . 27.2 m -109.4 176.54 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.123 176.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.4 mt -70.26 123.41 21.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.704 0.288 . . . . 0.0 110.617 178.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.677 -0.677 . . . . 0.0 110.355 178.579 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 121.264 0.554 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.604 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 1.1 pm0 -81.27 152.36 27.65 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.745 175.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 mp -74.16 140.82 45.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.319 0.58 . . . . 0.0 111.933 -171.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -116.31 162.41 17.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 173.566 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.1 m -73.89 122.46 87.62 Favored Pre-proline 0 C--N 1.323 -0.565 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.966 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -84.66 28.55 0.57 Allowed 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 123.073 2.515 . . . . 0.0 111.509 176.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -155.2 -73.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.981 -176.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.2 p -93.7 63.24 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.13 -0.941 . . . . 0.0 108.99 176.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -35.03 102.45 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 O-C-N 124.917 1.386 . . . . 0.0 113.654 -172.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.403 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 6.7 m80 -168.36 -167.73 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.463 -1.244 . . . . 0.0 107.849 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.5 p -82.97 147.02 6.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-O 120.791 0.329 . . . . 0.0 111.407 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.1 mt -119.29 119.05 32.91 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -111.37 79.3 1.19 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.26 0.553 . . . . 0.0 111.241 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.546 ' HA ' ' HA ' ' A' ' 19' ' ' ALA . 0.2 OUTLIER -84.6 128.47 34.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.697 173.579 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.1 p30 -99.67 -39.4 8.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.346 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.8 t30 -160.2 -73.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.798 0.332 . . . . 0.0 110.847 176.687 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.19 -6.52 36.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.371 -0.919 . . . . 0.0 113.251 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -137.24 145.71 43.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.817 0.341 . . . . 0.0 110.641 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.546 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . . . -103.66 126.74 51.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.499 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.454 HH11 ' HD2' ' A' ' 20' ' ' ARG . 19.6 mtp180 -91.08 115.35 27.94 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -94.73 90.25 6.02 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.175 -175.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -70.88 152.37 43.76 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.024 -178.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.5 m 70.43 -47.08 0.63 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 124.043 0.839 . . . . 0.0 110.92 -174.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 10' ' ' HIS . 16.3 m -65.75 -41.38 92.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.045 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.31 -2.47 81.08 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.821 174.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -97.45 175.54 6.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.092 0.472 . . . . 0.0 110.953 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -128.91 137.97 51.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.439 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.545 ' HB ' ' HB3' ' A' ' 19' ' ' ALA . 63.2 mt -114.85 107.87 23.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -72.07 155.69 40.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.153 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 62.4 mtt -123.46 144.21 49.66 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.447 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' NZ ' ' HA ' ' A' ' 71' ' ' ALA . 17.0 mtmm -88.02 130.18 35.05 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.232 176.235 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.43 102.27 14.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.49 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 40' ' ' PRO . 82.9 mt -110.34 153.88 24.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.735 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.463 ' HB2' HD21 ' A' ' 41' ' ' LEU . 49.2 t -94.14 109.7 43.78 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.74 -26.43 73.25 Favored 'Trans proline' 0 N--CA 1.475 0.4 0 C-N-CA 123.295 2.663 . . . . 0.0 114.133 -169.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.8 p30 -75.87 -13.51 60.27 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 p -137.44 -8.47 1.71 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 50.2 t60 56.56 25.89 10.39 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.661 0.743 . . . . 0.0 110.39 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 90.7 mm-40 -104.5 149.94 37.95 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.293 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.414 ' HA ' HD23 ' A' ' 33' ' ' LEU . 24.3 Cg_exo -63.66 146.24 92.18 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.958 2.439 . . . . 0.0 113.09 -176.112 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.525 HD13 ' HB3' ' A' ' 52' ' ' TYR . 92.0 mt -86.92 141.56 28.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.627 176.898 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLN . . . . . 0.512 ' HB2' ' HB2' ' A' ' 55' ' ' GLN . 63.6 tt0 -89.34 108.57 19.71 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.243 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.7 t -76.17 99.61 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.594 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 61.2 mt -80.45 96.44 6.74 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 176.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -109.02 102.37 11.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -173.09 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -117.42 -175.15 2.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.631 176.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.1 m -71.52 107.36 4.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.779 0.323 . . . . 0.0 110.194 176.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.29 -44.63 2.79 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.822 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.07 117.79 34.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.008 0.432 . . . . 0.0 111.579 -174.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 88.4 t -125.9 116.79 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.659 176.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.458 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 49.0 m-20 -119.66 131.52 55.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.83 0.348 . . . . 0.0 111.604 -175.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.525 ' HB3' HD13 ' A' ' 41' ' ' LEU . 95.2 m-85 -88.53 99.3 12.19 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 171.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -100.98 133.67 45.12 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.033 -175.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.507 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 43.7 t -75.44 94.29 3.08 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 177.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.512 ' HB2' ' HB2' ' A' ' 42' ' ' GLN . 62.5 tt0 -72.77 94.76 1.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.718 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' HIS . . . . . 0.504 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 0.8 OUTLIER 169.25 -39.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -178.134 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.64 68.18 0.11 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.826 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.507 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 18.4 m170 -136.32 -53.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.023 0.439 . . . . 0.0 109.913 174.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.56 -154.29 25.7 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mp -91.97 142.23 27.77 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.7 mm -112.15 124.48 68.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.62 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.3 m -66.0 141.95 58.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.61 174.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.482 ' HA ' HG23 ' A' ' 66' ' ' VAL . 34.5 pttt -58.27 -28.38 64.9 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -173.151 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -71.61 -19.19 62.15 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.653 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -98.73 0.29 44.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.774 0.321 . . . . 0.0 110.678 -176.162 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.482 HG23 ' HA ' ' A' ' 63' ' ' LYS . 77.4 t -74.57 136.34 25.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.977 0.418 . . . . 0.0 110.695 -178.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -84.7 102.15 12.76 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 175.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.406 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 70.8 m-85 -95.77 116.05 28.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.942 -177.683 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.6 m -115.15 154.6 16.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 173.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.1 mt -68.64 146.01 53.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.871 0.367 . . . . 0.0 110.763 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.49 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.15 -0.928 . . . . 0.0 111.442 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.719 0.295 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -98.42 153.96 18.2 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 173.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.2 mt -73.01 145.55 46.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.997 0.427 . . . . 0.0 111.567 -173.117 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 94.4 m-70 -113.3 156.15 23.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.604 177.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.516 ' HB2' ' HA ' ' A' ' 9' ' ' GLN . 11.5 m -77.07 154.84 82.71 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.454 -174.423 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.415 ' HD3' HD11 ' A' ' 12' ' ' LEU . 16.0 Cg_exo -69.33 -51.55 0.41 Allowed 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.529 2.153 . . . . 0.0 111.401 172.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -98.71 -69.29 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.142 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.1 p -85.1 62.19 7.35 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.438 0.637 . . . . 0.0 109.706 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.516 ' HA ' ' HB2' ' A' ' 5' ' ' CYS . 72.7 mt-30 -46.08 116.61 1.28 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.412 -1.267 . . . . 0.0 112.739 -177.064 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.432 ' HB3' ' H ' ' A' ' 11' ' ' VAL . 25.4 t-80 -162.74 -85.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.287 171.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.432 ' H ' ' HB3' ' A' ' 10' ' ' HIS . 92.7 t -143.11 130.87 18.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 120.63 0.253 . . . . 0.0 110.526 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.417 HD11 ' HA ' ' A' ' 5' ' ' CYS . 33.5 mt -113.18 113.25 25.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.568 174.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.502 ' HB2' ' HD2' ' A' ' 22' ' ' ARG . 33.7 t70 -91.0 104.21 16.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.825 177.749 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 18' ' ' HIS . 53.7 tt0 -116.09 125.24 52.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.499 -178.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -126.46 -69.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.188 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -97.71 62.36 1.64 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.89 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.46 -41.01 1.58 Allowed Glycine 0 CA--C 1.52 0.397 0 CA-C-N 115.747 -0.66 . . . . 0.0 113.057 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.419 ' O ' ' HA ' ' A' ' 14' ' ' GLN . 41.7 m80 -81.1 140.77 34.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.703 0.287 . . . . 0.0 111.12 -177.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 13' ' ' ASP . . . -117.18 127.13 53.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.081 176.065 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -121.83 137.42 54.78 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.318 0.58 . . . . 0.0 110.222 177.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.628 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 47.9 m -79.14 102.82 8.68 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.277 176.872 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.502 ' HD2' ' HB2' ' A' ' 13' ' ' ASP . 9.4 ptm180 -76.43 44.63 0.35 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.704 177.1 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.6 t -174.36 -58.43 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.656 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.628 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -90.44 4.61 50.51 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.854 0.686 . . . . 0.0 112.854 -174.323 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.47 -39.9 2.83 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.781 -0.723 . . . . 0.0 114.222 171.757 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.608 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 13.0 tt0 -43.5 129.09 5.19 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.391 0.676 . . . . 0.0 111.972 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -125.35 115.78 20.86 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.407 HG21 HD22 ' A' ' 70' ' ' LEU . 42.9 mt -102.91 128.54 55.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.4 0.619 . . . . 0.0 112.027 -171.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -90.41 101.1 13.84 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 171.428 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 78.3 mtp -101.3 122.87 44.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -92.17 131.16 37.63 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.97 -172.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.91 106.4 13.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.038 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.6 mt -116.41 169.11 9.56 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.699 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.533 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 11.0 t -80.3 132.64 58.7 Favored Pre-proline 0 C--N 1.318 -0.761 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 177.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.408 ' HA ' ' HB2' ' A' ' 67' ' ' GLU . 17.8 Cg_endo -59.42 -38.89 81.13 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.902 2.401 . . . . 0.0 112.761 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.12 -80.02 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.148 -177.198 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.16 -16.62 62.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -174.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.533 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 17.1 m80 62.29 15.95 8.04 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' A' ' 39' ' ' GLN . 15.7 mm-40 -84.84 149.63 54.08 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 174.04 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.86 133.8 60.26 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.911 2.407 . . . . 0.0 112.568 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.484 HD13 ' HB3' ' A' ' 52' ' ' TYR . 97.7 mt -84.57 151.71 24.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.456 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -83.57 111.83 19.45 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.0 t -75.78 108.67 8.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.42 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' A' ' 53' ' ' PHE . 59.2 mt -92.83 85.78 5.29 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.289 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -100.14 110.64 22.92 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.047 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.24 -167.68 1.41 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.109 177.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.9 p -73.31 95.44 2.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.249 0.547 . . . . 0.0 110.604 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.07 -59.51 0.38 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.651 178.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -106.89 155.39 19.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.099 0.476 . . . . 0.0 111.968 -173.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.1 p -133.32 138.62 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.075 178.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -129.92 175.0 9.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.694 0.283 . . . . 0.0 110.496 -178.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.484 ' HB3' HD13 ' A' ' 41' ' ' LEU . 88.1 m-85 -129.31 116.72 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.813 0.339 . . . . 0.0 110.27 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.453 ' HB2' HD11 ' A' ' 44' ' ' LEU . 61.4 t80 -113.67 124.14 51.59 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.276 -174.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 40.5 t -92.75 89.17 6.53 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -78.95 94.52 5.26 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -176.48 -34.65 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -174.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 142.73 42.67 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.113 -0.948 . . . . 0.0 112.433 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 36.2 m80 -136.67 -17.57 1.46 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.981 0.39 . . . . 0.0 111.128 177.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.04 -146.62 36.75 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.948 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.0 131.82 41.77 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.1 mm -93.03 129.03 44.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.796 -176.352 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 t -56.75 124.47 18.54 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.837 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -74.4 3.13 7.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.238 -171.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.841 ' HE2' ' HA ' ' A' ' 64' ' ' LYS . 9.6 mmpt? -100.22 -7.22 24.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.163 0.506 . . . . 0.0 110.09 172.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -113.1 -10.73 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.172 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.6 p -54.81 143.2 7.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.442 0 CA-C-O 121.057 0.456 . . . . 0.0 111.38 -176.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 35' ' ' PRO . 5.2 tp10 -93.02 102.01 14.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.541 -176.501 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -92.45 108.11 19.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.803 0.335 . . . . 0.0 110.443 176.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 m -101.45 162.38 3.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.318 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.407 HD22 HG21 ' A' ' 28' ' ' ILE . 66.3 mt -90.43 126.87 36.04 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.692 -0.67 . . . . 0.0 110.649 177.326 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 121.007 0.432 . . . . 0.0 110.396 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -75.93 127.87 33.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.093 -176.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.8 144.65 47.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.697 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -101.02 146.18 27.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.018 0.437 . . . . 0.0 110.289 -177.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 3.3 m -80.29 140.81 52.87 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.566 -176.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 8.6 Cg_exo -73.16 0.4 7.96 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.88 2.387 . . . . 0.0 112.181 177.191 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -131.61 -77.01 0.51 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.877 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.474 ' HB2' ' HB2' ' A' ' 24' ' ' CYS . 26.9 p -84.34 63.05 7.56 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.768 177.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 5' ' ' CYS . 91.6 mt-30 -45.61 107.09 0.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.374 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -171.99 -78.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.859 174.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.9 t -138.68 132.56 40.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.034 0.445 . . . . 0.0 111.83 -176.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.7 mt -112.89 104.05 12.04 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 167.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -101.12 114.97 29.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -177.085 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -82.71 117.44 22.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.587 -173.689 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -63.39 -60.17 3.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.069 173.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -156.12 -44.8 0.08 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.284 173.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.09 -32.38 0.12 Allowed Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 172.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 76.9 t60 -77.05 136.5 38.67 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 172.575 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.87 134.0 41.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.17 0.509 . . . . 0.0 111.391 -177.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -116.53 118.96 34.1 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 175.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.698 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 20.5 m -78.86 90.9 4.71 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.309 0.576 . . . . 0.0 112.022 -177.237 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -56.92 119.83 6.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.366 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.8 t 75.46 -38.36 0.36 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.685 0.794 . . . . 0.0 112.707 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' CYS . . . . . 0.698 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 7.6 p -87.3 -0.33 56.58 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.456 -0.497 . . . . 0.0 111.915 -177.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.18 -68.09 3.62 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 115.302 0.881 . . . . 0.0 115.302 165.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -43.61 117.26 1.11 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -168.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -82.15 124.64 30.05 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 175.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.4 mt -124.18 121.17 61.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.065 0.459 . . . . 0.0 111.169 -174.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.447 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . 9.2 tp10 -83.07 143.19 30.74 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.4 mtt -132.46 141.99 49.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.383 0.611 . . . . 0.0 111.365 -177.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.459 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 43.1 mmtm -96.56 123.41 40.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.286 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.68 94.63 5.75 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.151 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.4 mt -99.26 145.52 27.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.03 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.436 ' HB2' HD21 ' A' ' 41' ' ' LEU . 36.7 t -81.08 115.69 57.76 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 170.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -60.35 -28.8 87.51 Favored 'Trans proline' 0 N--CA 1.471 0.164 0 C-N-CA 122.843 2.362 . . . . 0.0 112.466 -171.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -89.88 1.84 55.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.782 -178.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.2 m -129.27 -27.82 2.41 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.0 t60 69.12 8.34 6.77 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.565 0.698 . . . . 0.0 109.672 -174.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -107.23 143.08 26.44 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.309 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -57.21 152.78 43.34 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.647 2.231 . . . . 0.0 112.723 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 52' ' ' TYR . 99.2 mt -89.93 150.62 22.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.67 178.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -82.18 115.72 21.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.912 176.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.4 t -74.65 110.29 8.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.982 176.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.538 HD12 ' HB3' ' A' ' 51' ' ' ASP . 87.7 mt -79.58 102.79 9.07 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 177.739 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -102.99 110.44 22.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.29 -176.072 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.483 ' HB3' ' HB3' ' A' ' 49' ' ' ALA . . . -119.02 -165.36 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.9 m -57.49 -54.28 48.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.063 0.458 . . . . 0.0 111.002 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -137.92 24.73 2.98 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.386 -0.685 . . . . 0.0 111.386 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.483 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . . . -127.09 129.56 48.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.713 0.292 . . . . 0.0 110.693 -177.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 57.7 t -127.15 123.23 61.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.219 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.538 ' HB3' HD12 ' A' ' 44' ' ' LEU . 1.5 t70 -137.6 177.49 7.83 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.881 -0.327 . . . . 0.0 111.07 -176.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' TYR . . . . . 0.457 ' HB3' HD13 ' A' ' 41' ' ' LEU . 68.8 m-85 -127.93 107.66 10.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.516 -175.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -103.94 135.26 45.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.988 0.423 . . . . 0.0 110.999 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' CYS . . . . . 0.545 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 36.5 t -93.29 94.68 8.9 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.989 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -70.67 94.81 1.04 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 174.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 171.48 -29.46 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.557 -1.201 . . . . 0.0 108.91 -177.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.27 48.21 0.32 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.879 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' HIS . . . . . 0.545 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 34.8 m170 -128.39 -2.9 5.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.972 0.386 . . . . 0.0 110.64 175.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.07 -144.02 29.32 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.281 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.0 mt -88.3 135.95 33.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.858 0.361 . . . . 0.0 110.758 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.6 mm -100.01 130.05 49.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.761 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.9 t -58.8 147.85 31.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.37 175.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -65.47 -18.11 65.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.075 0.464 . . . . 0.0 110.896 -176.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -89.55 -17.85 27.76 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -93.62 13.58 21.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.738 -178.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.44 127.41 45.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.517 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -85.81 107.6 17.72 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -91.69 108.32 19.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.649 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 31' ' ' LYS . 34.8 m -105.1 149.5 8.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.173 175.675 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.2 mp -73.67 136.34 43.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.414 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.447 ' HB3' ' HB3' ' A' ' 29' ' ' GLU . . . . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.357 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.771 0.32 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.469 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 36.8 m170 -113.49 157.07 22.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.487 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.4 m -74.52 142.0 77.2 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.023 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -85.66 31.12 0.48 Allowed 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.937 2.424 . . . . 0.0 111.927 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -161.07 -75.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.671 -177.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.6 p -89.13 63.03 6.46 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -46.78 101.49 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.123 -1.399 . . . . 0.0 113.435 -172.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.493 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 4.1 m-70 -162.23 -172.12 3.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.588 -1.187 . . . . 0.0 107.834 173.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.0 t -72.6 137.35 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.152 0.501 . . . . 0.0 111.717 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.5 mt -94.93 117.12 29.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.011 173.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.475 ' HB2' ' HD2' ' A' ' 22' ' ' ARG . 18.0 t70 -83.83 97.49 9.22 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -102.3 130.16 48.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.408 0.623 . . . . 0.0 112.374 -170.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -128.11 -153.73 0.59 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 174.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -66.3 101.81 0.78 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.64 0.734 . . . . 0.0 111.27 -177.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 65.02 11.45 51.41 Favored Glycine 0 C--N 1.334 0.45 0 CA-C-N 115.338 -0.846 . . . . 0.0 113.696 175.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -136.93 139.64 41.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.407 -0.466 . . . . 0.0 111.025 -175.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.41 102.77 5.25 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.693 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.532 ' HG2' ' HD1' ' A' ' 27' ' ' PHE . 18.6 mtp180 -92.78 133.35 36.13 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.258 0.551 . . . . 0.0 109.719 176.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.991 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 15.7 m -72.64 97.95 2.26 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.543 178.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HD2' ' HB2' ' A' ' 13' ' ' ASP . 11.5 ptm180 -71.04 139.09 50.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 171.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.2 m 74.22 -15.9 0.57 Allowed 'General case' 0 CA--C 1.538 0.515 0 O-C-N 123.827 0.705 . . . . 0.0 111.817 -176.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.991 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 27.1 m -93.74 -53.9 3.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.139 0.495 . . . . 0.0 110.132 172.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.26 -20.92 29.83 Favored Glycine 0 C--N 1.334 0.461 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.581 -174.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.39 154.15 40.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.963 0.505 . . . . 0.0 111.753 -177.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.532 ' HD1' ' HG2' ' A' ' 20' ' ' ARG . 59.7 t80 -119.63 126.0 50.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.225 177.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.2 mt -127.16 138.52 54.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.066 0.46 . . . . 0.0 110.602 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -112.39 147.8 35.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 79.3 mtp -125.46 149.74 47.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.858 0.361 . . . . 0.0 110.952 -174.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.662 ' HG3' ' HB2' ' A' ' 71' ' ' ALA . 94.8 mttt -93.13 139.56 30.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.894 -177.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.504 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -93.98 101.3 13.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.204 176.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 mt -107.39 146.97 30.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.957 0.408 . . . . 0.0 110.85 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.518 ' HB2' HD21 ' A' ' 41' ' ' LEU . 53.2 t -77.13 121.9 85.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 173.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.75 -40.53 47.47 Favored 'Trans proline' 0 N--CA 1.475 0.413 0 C-N-CA 122.868 2.379 . . . . 0.0 113.311 -176.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.462 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 4.7 p30 -86.96 2.59 48.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.136 -176.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.493 ' HB2' ' HB3' ' A' ' 34' ' ' CYS . 82.1 m -123.7 -42.57 2.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.714 0.292 . . . . 0.0 111.375 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.7 m80 67.58 14.38 9.54 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.481 -171.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -104.62 154.25 38.62 Favored Pre-proline 0 N--CA 1.45 -0.448 0 CA-C-N 115.254 -0.885 . . . . 0.0 108.738 172.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.42 146.82 95.61 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.797 2.332 . . . . 0.0 113.189 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' A' ' 34' ' ' CYS . 90.0 mt -85.12 150.75 24.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.574 176.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -80.95 112.84 18.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.614 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.6 100.26 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.628 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 50.8 mt -84.88 105.8 15.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.78 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -97.33 113.87 25.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.003 0.43 . . . . 0.0 111.158 -175.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.58 31.27 5.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.904 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.5 t 71.62 -70.82 0.15 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.995 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.33 -45.78 6.4 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.189 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.01 147.81 26.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.801 0.334 . . . . 0.0 110.652 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 69.7 t -129.67 122.01 54.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.809 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.524 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 42.1 m-20 -103.02 149.79 24.21 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.547 ' HB2' ' O ' ' A' ' 61' ' ' ILE . 88.0 m-85 -111.79 107.13 16.09 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 177.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.469 ' HB2' HD11 ' A' ' 44' ' ' LEU . 73.0 t80 -101.29 131.94 47.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.914 -174.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.595 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 28.9 t -75.53 92.74 2.92 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.29 177.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -71.69 94.6 1.37 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 169.49 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.112 -176.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.07 58.14 0.24 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.583 -0.818 . . . . 0.0 113.161 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.595 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 27.2 m170 -131.76 -27.23 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.98 0.39 . . . . 0.0 111.36 176.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.98 -154.05 16.57 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.044 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mp -95.4 139.87 31.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.935 0.398 . . . . 0.0 110.662 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.547 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 50.2 mm -120.77 129.01 76.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.819 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.0 t -81.63 159.85 23.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.902 0.382 . . . . 0.0 110.266 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -71.81 -3.7 23.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.589 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -97.64 0.06 46.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.916 0.388 . . . . 0.0 110.927 174.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.7 ttm-85 -120.82 -22.11 6.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.158 0.504 . . . . 0.0 110.4 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.504 HG21 ' HB1' ' A' ' 32' ' ' ALA . 14.9 p -64.09 154.17 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.415 -178.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -103.33 113.07 26.27 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.52 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 45.3 m-85 -92.99 121.34 34.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.765 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.6 m -113.01 163.43 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.494 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.16 122.81 21.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.149 -178.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.662 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.563 -0.732 . . . . 0.0 110.616 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.544 ' HG ' HD12 ' A' ' 12' ' ' LEU . 48.6 tp . . . . . 0 N--CA 1.451 -0.377 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -98.99 149.22 23.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.585 0.231 . . . . 0.0 110.557 -174.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 1.2 p -81.13 118.27 71.63 Favored Pre-proline 0 C--O 1.222 -0.382 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.928 -176.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 79.6 Cg_exo -45.56 -50.26 9.57 Favored 'Trans proline' 0 N--CA 1.476 0.467 0 C-N-CA 124.103 3.202 . . . . 0.0 115.096 -170.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -77.72 -51.26 10.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.154 0.502 . . . . 0.0 111.976 -172.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.58 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -88.66 -34.32 17.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.247 -172.062 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.465 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 14.9 mm-40 64.71 104.18 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.837 0.855 . . . . 0.0 113.286 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -171.79 -71.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.197 170.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -169.3 148.14 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.243 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.544 HD12 ' HG ' ' A' ' 3' ' ' LEU . 46.2 mt -108.66 129.21 55.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.06 175.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -105.86 87.73 2.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.197 0.522 . . . . 0.0 109.847 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.416 ' OE1' ' HB3' ' A' ' 12' ' ' LEU . 3.0 pm0 -104.3 120.71 41.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.214 178.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -153.01 -42.23 0.1 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.344 -178.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -73.14 -41.64 63.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.349 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.57 -18.29 1.66 Allowed Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -174.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -106.81 156.37 18.74 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 172.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.546 ' HB3' ' HB ' ' A' ' 28' ' ' ILE . . . -92.02 101.26 13.8 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -93.76 115.09 27.49 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.8 -174.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.731 ' HB2' ' HG2' ' A' ' 26' ' ' GLU . 57.0 m -79.51 92.59 5.3 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 172.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -54.38 -52.66 60.97 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.382 0.426 . . . . 0.0 111.449 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.4 p -68.27 -38.56 81.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.008 0.432 . . . . 0.0 111.772 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.651 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 2.7 m -78.64 -36.51 43.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.126 -174.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.23 15.78 60.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.998 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.731 ' HG2' ' HB2' ' A' ' 21' ' ' CYS . 2.5 pt-20 -103.36 157.31 17.12 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -178.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -120.95 118.16 29.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.368 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.546 ' HB ' ' HB3' ' A' ' 19' ' ' ALA . 65.8 mt -106.8 134.99 46.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.204 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -80.65 145.16 31.79 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.339 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.473 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 79.8 mtp -115.11 114.59 25.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.177 0.513 . . . . 0.0 109.628 177.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.42 ' HE2' HD21 ' A' ' 33' ' ' LEU . 86.7 tttt -87.61 115.94 25.39 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.474 -175.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.34 103.33 3.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.855 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.42 HD21 ' HE2' ' A' ' 31' ' ' LYS . 81.4 mt -104.95 143.84 32.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.884 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.5 ' HG ' ' CG ' ' A' ' 36' ' ' ASP . 41.9 t -84.69 108.81 16.29 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.427 174.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -48.1 -37.03 29.85 Favored 'Trans proline' 0 N--CA 1.474 0.382 0 C-N-CA 123.541 2.827 . . . . 0.0 114.2 -171.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.5 ' CG ' ' HG ' ' A' ' 34' ' ' CYS . 22.7 p30 -66.07 -22.96 66.44 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -175.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 p -129.65 -15.33 3.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -177.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.2 m80 60.59 26.15 15.84 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.189 0.519 . . . . 0.0 110.814 -176.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.761 ' HG3' ' HD2' ' A' ' 40' ' ' PRO . 1.4 tp-100 -108.86 147.68 36.33 Favored Pre-proline 0 N--CA 1.45 -0.449 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.863 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.761 ' HD2' ' HG3' ' A' ' 39' ' ' GLN . 12.6 Cg_endo -55.81 141.81 84.49 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.197 2.598 . . . . 0.0 113.551 -176.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.536 HD13 ' HB3' ' A' ' 52' ' ' TYR . 52.0 mt -91.3 151.36 20.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.936 177.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -88.55 123.95 33.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.86 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.3 t -83.58 104.01 11.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.677 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.51 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 79.2 mt -89.08 90.11 8.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.078 177.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -79.24 88.82 4.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 175.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.03 74.73 8.07 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.392 -172.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.4 m 61.2 17.88 8.59 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.45 -0.796 . . . . 0.0 112.455 170.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 141.86 -31.29 2.11 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.669 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.22 163.68 13.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.1 t -133.89 112.32 16.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.472 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.51 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 45.9 m-20 -104.01 139.47 39.08 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.536 ' HB3' HD13 ' A' ' 41' ' ' LEU . 86.7 m-85 -99.69 104.28 16.01 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.165 0.507 . . . . 0.0 109.864 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -101.14 123.44 45.3 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.338 -175.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 42.2 t -89.56 89.87 8.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.352 -0.385 . . . . 0.0 109.99 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -65.2 94.52 0.16 Allowed 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.813 176.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 174.78 -22.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 1.175 . . . . 0.0 108.788 -173.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.77 50.03 0.81 Allowed Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.407 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.414 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 37.9 m170 -126.77 -11.07 6.1 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 122.694 -0.297 . . . . 0.0 110.62 176.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.15 -149.94 21.08 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.826 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.4 mt -96.45 127.82 42.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.211 0.529 . . . . 0.0 110.749 -178.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.449 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 50.6 mm -99.5 119.78 47.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.009 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.1 m -65.16 152.33 43.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.639 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -59.15 -28.32 66.46 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -175.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -79.11 -0.3 31.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.625 0.25 . . . . 0.0 111.589 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -120.98 12.4 11.19 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.3 t -92.68 126.18 45.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.347 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -93.75 102.81 14.96 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.695 -0.484 . . . . 0.0 109.695 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.473 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 98.8 m-85 -87.05 111.95 21.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.386 178.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.8 m -100.66 159.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.359 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.6 mt -79.97 120.79 24.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.749 0.309 . . . . 0.0 110.501 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.76 -0.638 . . . . 0.0 110.773 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mp . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.972 0.415 . . . . 0.0 111.353 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -128.18 160.29 32.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.233 177.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 2.0 m -74.53 132.15 78.89 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.346 178.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 43.8 Cg_exo -56.44 -49.96 13.4 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.742 2.295 . . . . 0.0 112.58 -178.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -96.13 -61.67 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.025 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.2 p -81.89 60.8 4.92 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -36.63 113.69 0.25 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.573 -1.194 . . . . 0.0 112.906 -177.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -176.76 178.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.002 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.636 HG13 ' HB3' ' A' ' 22' ' ' ARG . 7.7 p -68.6 133.29 32.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.267 0.556 . . . . 0.0 111.696 -179.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 21' ' ' CYS . 7.7 mt -119.25 93.94 4.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.269 174.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -98.95 144.18 28.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.355 0.598 . . . . 0.0 110.771 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -115.23 126.38 54.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.581 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -109.97 -58.17 2.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.23 0.538 . . . . 0.0 110.527 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -133.43 -151.65 0.45 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.213 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.1 -21.37 52.98 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.701 176.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -98.48 115.53 28.74 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 174.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.91 132.31 36.58 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -91.42 116.51 28.9 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.301 -174.492 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.438 ' HA ' HD23 ' A' ' 12' ' ' LEU . 11.0 t -79.29 89.66 4.94 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 173.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.636 ' HB3' HG13 ' A' ' 11' ' ' VAL . 15.1 ttp85 -83.82 146.41 28.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.182 -166.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 m 72.78 -13.3 0.68 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.923 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.433 ' H ' ' C ' ' A' ' 22' ' ' ARG . 59.4 m -94.12 -24.61 17.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.815 175.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.64 -10.39 74.79 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.713 177.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -98.4 175.67 5.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.803 0.335 . . . . 0.0 110.732 -177.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -140.51 152.35 45.51 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.569 HG21 HD22 ' A' ' 70' ' ' LEU . 61.6 mt -128.27 116.15 40.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -80.56 140.91 35.56 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.3 mtp -101.77 137.88 39.49 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.808 0.337 . . . . 0.0 110.099 -177.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 60.4 tttm -95.18 128.04 41.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.78 -178.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.51 111.01 22.34 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 40' ' ' PRO . 85.0 mt -119.39 161.57 20.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.748 178.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.527 ' HB2' HD21 ' A' ' 41' ' ' LEU . 50.8 t -99.73 114.54 65.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.526 ' HG3' ' HB2' ' A' ' 67' ' ' GLU . 52.3 Cg_exo -54.25 -28.33 51.85 Favored 'Trans proline' 0 N--CA 1.476 0.46 0 C-N-CA 123.291 2.661 . . . . 0.0 114.018 -171.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.512 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 0.1 OUTLIER -76.34 -21.75 55.77 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -174.004 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.715 ' SG ' ' HG2' ' A' ' 39' ' ' GLN . 1.8 p -133.43 -16.55 2.37 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -176.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 71.12 2.23 4.15 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.609 0.764 . . . . 0.0 112.304 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.715 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 3.9 pt20 -76.06 158.51 82.1 Favored Pre-proline 0 C--O 1.238 0.495 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 174.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.452 ' HA ' HD23 ' A' ' 33' ' ' LEU . 22.3 Cg_exo -66.38 151.79 82.41 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.854 2.37 . . . . 0.0 112.296 177.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.534 HD13 ' HB3' ' A' ' 52' ' ' TYR . 70.7 mt -92.66 142.57 27.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.604 176.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -85.26 106.3 16.57 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.4 t -79.31 110.63 15.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.755 -175.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.547 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 38.8 mt -91.34 135.87 33.51 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.439 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -109.96 98.09 7.46 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.12 -162.14 0.88 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.735 -176.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.2 t -73.68 87.14 1.67 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.947 0.403 . . . . 0.0 110.216 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.44 8.79 81.01 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.432 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.98 138.04 53.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.957 0.408 . . . . 0.0 111.385 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 62.3 t -108.03 112.34 39.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 173.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.547 ' HB3' ' HB2' ' A' ' 44' ' ' LEU . 30.8 t0 -109.72 123.01 48.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.808 0.337 . . . . 0.0 110.356 -171.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.534 ' HB3' HD13 ' A' ' 41' ' ' LEU . 80.8 m-85 -93.03 103.74 16.02 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.005 0.431 . . . . 0.0 109.922 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -105.88 115.86 30.95 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.774 -174.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.6 t -91.19 89.59 7.41 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -78.53 94.73 5.02 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.814 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -177.49 24.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.034 -0.984 . . . . 0.0 108.43 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.97 44.37 61.78 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.69 -176.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 67.7 m170 -122.03 -65.86 1.08 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 117.077 0.438 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.02 -160.36 26.23 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.537 -0.84 . . . . 0.0 112.422 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.2 mt -91.19 140.71 29.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.057 0.456 . . . . 0.0 111.218 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.485 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 42.9 mm -114.34 130.26 68.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.16 -178.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.469 ' O ' HG23 ' A' ' 66' ' ' VAL . 25.8 t -83.53 161.76 21.11 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 177.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.531 ' HB2' ' HZ3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -48.5 -44.92 36.37 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.267 0.627 . . . . 0.0 112.366 -176.052 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -75.16 -22.28 58.19 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -174.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -85.61 -20.1 30.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.689 0.281 . . . . 0.0 110.692 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 62' ' ' SER . 55.8 t -61.83 134.16 27.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 0.0 111.289 -178.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.526 ' HB2' ' HG3' ' A' ' 35' ' ' PRO . 34.4 tt0 -84.45 105.93 15.65 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -99.64 116.53 31.97 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.364 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 31' ' ' LYS . 28.8 m -108.68 166.58 4.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 172.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.569 HD22 HG21 ' A' ' 28' ' ' ILE . 78.5 mt -82.48 123.6 29.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.626 0.251 . . . . 0.0 110.887 -175.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.778 -0.629 . . . . 0.0 110.423 177.596 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.549 HD13 HE21 ' A' ' 14' ' ' GLN . 71.0 mt . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.881 0.372 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.505 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 47.1 m80 -126.2 160.09 31.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.535 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.588 ' SG ' ' HG ' ' A' ' 12' ' ' LEU . 33.6 m -74.44 129.23 84.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.807 175.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 23.8 Cg_exo -64.71 -30.82 59.51 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.515 2.143 . . . . 0.0 112.07 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -102.7 -68.47 0.83 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.708 -178.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.0 p -87.33 62.74 7.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.689 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -36.43 107.97 0.07 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 114.222 -1.354 . . . . 0.0 113.776 -174.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.505 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 1.5 t-160 -174.89 -165.96 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 177.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 73.5 t -79.58 136.51 23.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-N 118.614 0.643 . . . . 0.0 112.187 -174.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.588 ' HG ' ' SG ' ' A' ' 5' ' ' CYS . 6.4 mt -123.16 140.05 53.43 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.383 177.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -121.17 104.8 10.02 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 171.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.549 HE21 HD13 ' A' ' 3' ' ' LEU . 22.1 pt20 -118.51 137.84 52.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.103 -0.498 . . . . 0.0 112.024 -170.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 14' ' ' GLN . 2.3 t70 172.71 -168.17 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 175.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 p30 59.97 -46.29 0.09 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.65 1.58 . . . . 0.0 114.924 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.78 -29.28 0.54 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.256 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -136.85 139.54 41.76 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 174.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.11 124.85 51.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.891 0.377 . . . . 0.0 111.099 -175.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.0 ttt-85 -105.65 134.79 48.2 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 175.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.624 ' CB ' ' HB2' ' A' ' 24' ' ' CYS . 61.7 m -62.97 122.85 17.04 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.331 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -62.79 -50.4 71.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.642 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.08 0.36 23.47 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -174.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.624 ' HB2' ' CB ' ' A' ' 21' ' ' CYS . 61.8 m -93.88 -75.83 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.282 0.563 . . . . 0.0 110.84 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.401 ' H ' ' HB2' ' A' ' 21' ' ' CYS . . . 142.28 -24.1 2.37 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.839 -173.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.577 ' OE2' ' HB3' ' A' ' 24' ' ' CYS . 6.3 mp0 -64.81 143.93 57.6 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.907 0.384 . . . . 0.0 111.14 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -118.49 117.46 29.08 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 171.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.42 HG21 HD22 ' A' ' 70' ' ' LEU . 60.2 mt -118.76 116.56 51.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 -174.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -76.27 148.43 37.58 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.3 mtt -109.27 138.12 46.1 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.033 0.444 . . . . 0.0 110.697 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -86.74 110.27 19.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.81 105.42 7.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.724 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.0 mt -113.74 149.25 35.09 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.677 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.607 ' HB2' HD21 ' A' ' 41' ' ' LEU . 42.0 t -82.75 122.84 78.54 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 171.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.53 -32.67 44.64 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.875 2.383 . . . . 0.0 113.251 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.494 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -89.22 -10.14 48.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.453 -175.312 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.566 ' SG ' ' CE1' ' A' ' 58' ' ' HIS . 36.4 m -114.57 -40.81 3.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.03 0.443 . . . . 0.0 111.053 -179.029 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.8 m80 61.57 22.03 12.58 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.496 -169.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -109.14 151.97 42.28 Favored Pre-proline 0 N--CA 1.445 -0.707 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.717 172.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.64 139.05 89.11 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 123.072 2.515 . . . . 0.0 113.481 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.607 HD21 ' HB2' ' A' ' 34' ' ' CYS . 84.1 mt -82.26 158.97 23.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.37 175.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -95.6 111.24 23.21 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.1 t -77.48 104.25 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.241 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 67.8 mt -93.72 126.31 38.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.181 -177.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -97.82 102.91 14.79 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 171.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.02 28.7 1.33 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.393 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.9 p 42.13 80.83 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 O-C-N 124.057 0.848 . . . . 0.0 111.508 -174.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.03 -59.1 0.69 Allowed Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -174.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.44 159.32 20.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.785 0.326 . . . . 0.0 110.58 176.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.4 t -117.58 124.75 73.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.54 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 26.1 m-20 -107.27 124.61 50.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.964 0.411 . . . . 0.0 111.197 -177.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -84.12 98.54 9.95 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -100.94 127.48 47.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.988 0.423 . . . . 0.0 111.094 -172.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 42.2 t -88.54 89.22 7.9 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 175.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -75.7 94.57 3.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.993 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -178.7 17.12 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.347 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.84 21.97 64.87 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.352 -176.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.566 ' CE1' ' SG ' ' A' ' 37' ' ' CYS . 39.0 m170 -99.09 -52.64 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 122.635 -0.332 . . . . 0.0 111.466 -177.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.96 -161.84 23.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.132 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mp -91.83 134.08 35.07 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.0 mm -95.54 136.52 26.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 m -65.28 147.2 53.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.787 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -59.53 -45.17 92.56 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -81.62 5.5 17.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.884 0.373 . . . . 0.0 111.279 -178.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -102.23 -12.04 18.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.757 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.74 130.7 35.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.193 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -86.55 107.13 17.98 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -95.37 116.18 28.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.581 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.4 167.03 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.719 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.42 HD22 HG21 ' A' ' 28' ' ' ILE . 90.3 mt -72.78 126.36 29.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.774 -177.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.742 -0.647 . . . . 0.0 111.047 179.607 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 12' ' ' LEU . 31.5 tp . . . . . 0 N--CA 1.454 -0.25 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.518 ' H ' ' HG ' ' A' ' 3' ' ' LEU . 69.5 m80 -129.79 148.53 51.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.841 0.353 . . . . 0.0 110.611 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.43 129.04 61.84 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.355 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.58 -25.57 54.8 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.312 2.008 . . . . 0.0 111.094 171.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -85.41 -82.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.132 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p -95.16 69.34 3.17 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.387 -176.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -37.98 103.54 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 113.749 -1.568 . . . . 0.0 112.954 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.55 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 7.8 m-70 -170.01 179.05 3.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 176.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.3 p -71.62 137.31 23.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 CA-C-O 121.665 0.745 . . . . 0.0 111.822 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.524 ' HB2' ' HB3' ' A' ' 3' ' ' LEU . 81.3 mt -112.21 122.32 47.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.806 174.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -102.03 113.31 26.43 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -127.23 104.67 8.08 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.268 -173.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -98.09 -74.02 0.59 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.033 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -117.98 104.72 11.16 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.675 0.274 . . . . 0.0 111.507 -174.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.4 -51.15 4.52 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 114.451 0.54 . . . . 0.0 114.451 168.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -111.71 151.67 28.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.189 0.519 . . . . 0.0 112.255 -174.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.04 108.44 18.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.647 174.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 ttm-85 -98.79 130.05 45.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.234 0.54 . . . . 0.0 110.952 -178.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.535 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 91.7 m -66.94 97.87 0.52 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.889 173.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -61.93 -38.56 88.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.853 0.359 . . . . 0.0 110.848 -174.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -89.86 -43.77 10.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.248 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 10' ' ' HIS . 3.2 m -66.1 -41.96 89.94 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.169 -174.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.12 0.45 58.54 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.118 -175.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -91.7 166.01 13.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.77 0.319 . . . . 0.0 110.684 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -125.18 126.87 45.92 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.535 HG21 HD22 ' A' ' 70' ' ' LEU . 60.9 mt -107.15 136.17 43.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.694 -177.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -93.36 149.87 20.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.861 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.0 mtt -102.28 159.0 15.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.342 0.592 . . . . 0.0 111.445 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.793 ' HE3' ' HA ' ' A' ' 71' ' ' ALA . 36.1 ttmt -130.47 109.6 10.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.34 -178.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.14 98.73 6.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.957 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.9 mt -111.36 147.3 35.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.191 0.519 . . . . 0.0 110.847 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.539 ' HB2' HD21 ' A' ' 41' ' ' LEU . 50.4 t -78.68 135.39 60.08 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.935 175.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.33 -32.3 72.55 Favored 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 122.417 2.078 . . . . 0.0 113.468 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.405 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 3.4 p30 -89.66 -17.08 29.07 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -172.414 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.0 p -142.15 1.86 1.46 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 38.53 33.9 0.07 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.722 1.209 . . . . 0.0 113.92 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -93.57 145.23 29.56 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 172.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -57.52 126.76 22.94 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 123.148 2.566 . . . . 0.0 112.784 -177.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.539 HD21 ' HB2' ' A' ' 34' ' ' CYS . 96.0 mt -78.02 139.78 39.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.613 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.539 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 9.6 tt0 -79.45 121.39 25.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.965 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.7 t -74.26 103.39 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.632 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 75.8 mt -86.49 107.75 18.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.258 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -99.68 90.08 4.35 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.9 86.64 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.194 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.5 p 45.48 36.3 2.4 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.94 0.896 . . . . 0.0 112.908 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.37 -32.13 5.35 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.355 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.94 111.37 19.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.632 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 9.5 p -106.95 125.65 62.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.24 0.543 . . . . 0.0 111.002 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -134.84 170.76 15.37 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.434 ' HB3' HD13 ' A' ' 41' ' ' LEU . 97.4 m-85 -116.25 120.55 39.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.292 0.568 . . . . 0.0 111.45 -172.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.539 ' HB3' ' HB3' ' A' ' 42' ' ' GLN . 64.2 t80 -101.22 130.88 47.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.225 -179.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.665 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 51.1 t -87.89 103.1 15.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.634 -178.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.493 ' O ' ' HB2' ' A' ' 56' ' ' HIS . 40.4 mt-30 -72.47 95.26 1.76 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.503 0.668 . . . . 0.0 110.537 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.493 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 1.0 OUTLIER 170.04 -3.66 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.318 -1.31 . . . . 0.0 109.572 -177.281 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.444 ' H ' ' H ' ' A' ' 56' ' ' HIS . . . 90.88 28.31 16.18 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.223 -177.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.665 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 59.6 m170 -100.86 -8.42 22.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 110.599 177.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.32 -148.06 32.22 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.237 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.2 mt -83.47 143.66 30.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.714 0.292 . . . . 0.0 110.754 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.5 mm -111.46 135.15 51.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.04 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.3 m -58.35 142.63 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -61.13 -30.74 70.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.619 -173.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -88.92 0.05 56.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.628 0.252 . . . . 0.0 111.651 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -99.42 -14.88 18.94 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.406 HG13 HD12 ' A' ' 41' ' ' LEU . 58.9 t -70.15 125.48 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.233 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -88.56 102.14 14.64 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -82.72 100.52 10.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.855 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.491 HG23 ' HB3' ' A' ' 31' ' ' LYS . 34.1 m -100.77 176.46 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.79 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.535 HD22 HG21 ' A' ' 28' ' ' ILE . 66.4 mt -87.26 130.46 34.58 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.848 0.356 . . . . 0.0 110.185 -178.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.793 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.992 -177.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.8 mt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 11' ' ' VAL . 33.6 m80 -127.03 155.96 42.41 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -178.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.9 m -74.72 122.19 86.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.74 -22.11 69.65 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.633 2.222 . . . . 0.0 111.942 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -105.06 -72.93 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.66 178.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.425 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 2.6 p -80.74 12.58 3.08 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -171.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.409 ' HB3' ' H ' ' A' ' 10' ' ' HIS . 35.4 mm-40 51.71 -152.86 0.21 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 174.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.409 ' H ' ' HB3' ' A' ' 9' ' ' GLN . 29.2 m170 70.24 -97.9 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.27 0.628 . . . . 0.0 111.442 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 4' ' ' HIS . 8.0 p -164.98 147.79 2.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.017 0.437 . . . . 0.0 111.49 -176.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.512 HD21 HD12 ' A' ' 28' ' ' ILE . 26.1 mt -112.01 81.4 1.46 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.58 173.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.488 ' HB3' ' HE ' ' A' ' 22' ' ' ARG . 8.9 t70 -94.78 100.81 12.64 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -89.3 145.54 25.31 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.759 -169.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -67.25 -63.52 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 170.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -176.74 104.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.724 -1.126 . . . . 0.0 108.986 176.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.68 -62.45 4.51 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.73 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -77.21 117.81 19.11 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.01 105.44 17.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.604 -174.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -91.13 121.9 33.32 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 173.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.635 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 74.3 m -70.64 90.93 0.78 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 174.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.488 ' HE ' ' HB3' ' A' ' 13' ' ' ASP . 34.7 mtm180 -58.83 -59.41 5.48 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -177.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.8 m -71.96 -9.48 58.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -176.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.635 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 29.7 m -93.77 -50.54 5.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.242 0.544 . . . . 0.0 110.891 175.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.52 14.27 24.12 Favored Glycine 0 CA--C 1.521 0.461 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.711 -172.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.425 ' OE1' ' SG ' ' A' ' 8' ' ' CYS . 12.5 mt-10 -103.38 173.46 6.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.026 0.441 . . . . 0.0 111.712 -175.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -132.43 116.48 16.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.742 175.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.512 HD12 HD21 ' A' ' 12' ' ' LEU . 58.0 mt -112.96 135.1 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.18 0.514 . . . . 0.0 110.989 -179.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -94.41 145.8 24.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.185 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.2 mtt -124.78 153.46 42.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.252 0.549 . . . . 0.0 111.189 176.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HE2' ' HA ' ' A' ' 71' ' ' ALA . 63.6 mttm -110.44 128.75 55.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.171 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.19 109.01 17.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.151 177.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 40' ' ' PRO . 67.0 mt -117.65 158.12 25.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.028 0.442 . . . . 0.0 110.995 -177.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.46 ' HB2' HD21 ' A' ' 41' ' ' LEU . 16.0 t -81.0 125.07 80.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.465 ' HG3' ' HG2' ' A' ' 65' ' ' ARG . 19.3 Cg_endo -57.03 -26.38 68.25 Favored 'Trans proline' 0 N--CA 1.476 0.46 0 C-N-CA 123.432 2.755 . . . . 0.0 114.912 -169.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.526 ' OD1' ' HE1' ' A' ' 58' ' ' HIS . 6.9 p-10 -98.92 -50.2 4.28 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -174.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 p -92.77 -10.7 36.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.884 0.373 . . . . 0.0 110.996 -174.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 34.2 t60 65.8 2.94 2.32 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.51 0.724 . . . . 0.0 112.044 174.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.519 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 32.8 mm-40 -69.81 146.55 95.63 Favored Pre-proline 0 C--O 1.236 0.386 0 CA-C-O 120.422 0.153 . . . . 0.0 110.773 176.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.47 ' HA ' HD23 ' A' ' 33' ' ' LEU . 17.0 Cg_exo -67.81 146.61 72.92 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.472 2.781 . . . . 0.0 113.055 -177.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' ' 34' ' ' CYS . 38.2 mt -99.42 137.93 37.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.585 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -87.85 128.59 35.34 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.33 111.64 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.012 0.434 . . . . 0.0 110.762 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.545 HD11 ' HB2' ' A' ' 53' ' ' PHE . 90.7 mt -88.49 85.88 6.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.348 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -90.76 101.84 14.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.635 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -114.1 161.71 17.41 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 175.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.0 p -74.69 79.75 2.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.511 0.672 . . . . 0.0 110.156 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 153.77 -61.52 0.38 Allowed Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.558 -177.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.29 136.18 51.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.83 0.348 . . . . 0.0 111.045 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 61.0 t -117.4 116.77 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.665 174.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -131.45 -172.09 2.76 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.693 -177.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.428 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 87.3 m-85 -121.51 131.59 54.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.942 0.401 . . . . 0.0 111.458 -178.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.545 ' HB2' HD11 ' A' ' 44' ' ' LEU . 75.2 t80 -107.17 122.32 46.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.243 178.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 45.5 t -68.05 98.9 0.81 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.564 178.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' A' ' 56' ' ' HIS . 10.1 tt0 -70.78 116.02 10.6 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 173.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.532 ' HB3' ' O ' ' A' ' 55' ' ' GLN . 27.9 t60 88.43 86.1 0.02 OUTLIER 'General case' 0 C--O 1.233 0.227 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.91 88.6 0.31 Allowed Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.178 -0.919 . . . . 0.0 114.185 171.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.529 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 2.6 m80 156.29 -73.8 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.649 1.179 . . . . 0.0 111.533 164.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.12 -157.04 15.78 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -167.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.12 130.74 45.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.859 0.829 . . . . 0.0 111.1 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.0 mm -108.3 138.29 35.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.8 p -56.27 125.77 23.28 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.004 0.43 . . . . 0.0 110.332 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.458 ' NZ ' ' HB2' ' A' ' 63' ' ' LYS . 4.8 ttmp? -57.79 -29.28 64.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.405 -172.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -83.51 -9.49 58.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.012 0.434 . . . . 0.0 111.499 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.465 ' HG2' ' HG3' ' A' ' 35' ' ' PRO . 41.5 ttm180 -97.61 -15.27 20.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.024 0.44 . . . . 0.0 110.294 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.5 t -56.52 137.87 17.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.679 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -92.25 114.49 27.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.69 177.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -100.53 114.38 27.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.588 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.0 m -114.06 153.6 15.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.15 177.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.747 HD23 ' H ' ' A' ' 70' ' ' LEU . 2.3 pt? -75.41 145.14 41.81 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.488 -0.768 . . . . 0.0 110.547 178.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 mp . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 11' ' ' VAL . 18.7 m80 -84.52 152.74 23.72 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.91 104.14 2.21 Favored Pre-proline 0 C--N 1.332 -0.163 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.465 -173.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.533 ' HD3' ' O ' ' A' ' 4' ' ' HIS . 83.8 Cg_endo -77.97 72.82 6.0 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.246 2.631 . . . . 0.0 112.603 -172.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -173.54 -45.06 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.683 -1.144 . . . . 0.0 108.578 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.514 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 4.8 p -118.42 -25.52 6.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.484 178.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.458 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 15.5 mm-40 72.5 123.47 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.053 0.941 . . . . 0.0 112.8 177.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 174.41 -87.49 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.27 174.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.555 ' HA ' ' HA ' ' A' ' 4' ' ' HIS . 13.8 p -171.78 142.22 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.013 0.435 . . . . 0.0 111.264 179.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 21' ' ' CYS . 82.5 mt -117.99 96.91 5.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.872 175.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -88.79 105.41 17.7 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.695 ' HG2' ' HB2' ' A' ' 19' ' ' ALA . 77.4 mt-30 -84.85 143.76 28.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.454 -168.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.8 -58.65 7.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.233 170.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -173.89 -54.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.362 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -104.37 -64.34 0.68 Allowed Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.715 177.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.79 158.33 22.85 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.695 ' HB2' ' HG2' ' A' ' 14' ' ' GLN . . . -129.95 170.41 13.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.089 0.471 . . . . 0.0 111.568 -175.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -150.91 144.37 24.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.479 -0.782 . . . . 0.0 108.97 176.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 56.8 m -62.68 109.33 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 174.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.401 ' HB3' HG13 ' A' ' 11' ' ' VAL . 3.5 tpt180 -62.86 -54.85 32.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.157 -172.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 m -77.89 -41.15 37.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.984 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.544 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 3.4 m -67.77 -53.22 28.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.049 0.452 . . . . 0.0 110.748 -175.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.78 -12.98 42.1 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.077 -0.582 . . . . 0.0 111.795 -174.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.514 ' OE1' ' SG ' ' A' ' 8' ' ' CYS . 11.0 mt-10 -65.3 152.01 44.82 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 123.038 0.535 . . . . 0.0 111.395 -177.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -96.62 112.42 24.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.666 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.2 mt -128.53 94.23 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -93.73 169.96 9.92 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 66.5 mtt -122.2 138.84 54.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.057 0.456 . . . . 0.0 111.297 -176.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -77.76 131.11 37.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.557 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.71 87.93 7.42 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 40' ' ' PRO . 72.1 mt -105.59 148.24 27.53 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.111 -175.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.542 ' HB2' HD21 ' A' ' 41' ' ' LEU . 53.2 t -76.67 124.03 87.69 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 171.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.11 -29.32 86.79 Favored 'Trans proline' 0 N--CA 1.474 0.382 0 C-N-CA 123.087 2.525 . . . . 0.0 113.459 -170.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.74 -36.84 50.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.712 -174.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.56 ' HB2' ' OE1' ' A' ' 39' ' ' GLN . 2.7 p -120.44 -22.36 6.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -170.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 44.0 m80 67.6 18.19 9.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.961 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.56 ' OE1' ' HB2' ' A' ' 37' ' ' CYS . 1.8 mp0 -78.86 139.93 58.02 Favored Pre-proline 0 C--O 1.238 0.463 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 168.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 39' ' ' GLN . 38.5 Cg_exo -60.64 129.86 31.06 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.721 2.281 . . . . 0.0 112.04 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.542 HD21 ' HB2' ' A' ' 34' ' ' CYS . 95.8 mt -73.18 126.88 31.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.14 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -72.52 120.44 18.13 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.144 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.9 t -78.22 101.27 3.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.456 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.505 HD11 ' HB2' ' A' ' 53' ' ' PHE . 61.6 mt -80.75 99.0 8.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.696 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' A' ' 45' ' ' LYS . 32.2 mtpt -98.21 106.43 18.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.113 0.482 . . . . 0.0 111.025 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -107.29 -179.12 3.83 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.305 174.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.1 t -80.55 82.83 6.47 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.05 0.452 . . . . 0.0 110.313 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.6 -12.38 23.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.846 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.93 138.02 53.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.607 0.241 . . . . 0.0 111.254 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 58.3 t -136.39 119.52 22.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 177.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.506 ' HB3' HD22 ' A' ' 60' ' ' LEU . 6.0 m-20 -130.61 158.43 40.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.926 0.394 . . . . 0.0 111.183 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.512 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 95.6 m-85 -108.03 113.35 26.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.191 177.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.505 ' HB2' HD11 ' A' ' 44' ' ' LEU . 62.3 t80 -103.61 132.19 50.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.01 -175.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.463 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 44.0 t -101.98 99.74 9.95 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.172 178.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -70.43 94.97 1.0 Allowed 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.53 0.681 . . . . 0.0 110.073 176.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 176.4 22.16 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.116 -1.402 . . . . 0.0 109.118 -179.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.01 31.63 66.64 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.633 -176.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.463 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 49.9 m170 -113.58 -10.49 13.13 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 117.082 0.441 . . . . 0.0 110.912 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.51 -142.41 35.32 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.063 176.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 51' ' ' ASP . 96.0 mt -92.84 134.47 35.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.876 0.37 . . . . 0.0 110.922 -177.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.2 mm -107.06 120.53 58.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.263 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.4 m -61.75 147.99 44.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.272 175.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.46 ' HA ' HG23 ' A' ' 66' ' ' VAL . 19.2 pttp -70.94 0.32 7.63 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -172.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -82.67 -30.52 29.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.429 0.633 . . . . 0.0 109.647 171.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 65' ' ' ARG . 42.2 mtm180 -102.95 13.67 33.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.875 -172.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.46 HG23 ' HA ' ' A' ' 63' ' ' LYS . 61.7 t -87.48 128.42 40.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.737 175.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -92.5 105.1 17.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.001 0.429 . . . . 0.0 109.93 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -88.77 115.59 26.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.753 -178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.0 m -113.54 153.45 15.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.172 177.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.03 128.37 36.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.712 0.291 . . . . 0.0 110.459 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.068 -177.449 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.539 ' HB2' ' HB2' ' A' ' 12' ' ' LEU . 90.8 mt . . . . . 0 N--CA 1.449 -0.492 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -116.49 139.22 50.7 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.499 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.491 ' SG ' ' HB3' ' A' ' 7' ' ' GLN . 10.8 t -84.58 108.88 16.38 Favored Pre-proline 0 C--O 1.215 -0.738 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.147 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.51 -15.63 4.32 Favored 'Trans proline' 0 N--CA 1.48 0.709 0 C-N-CA 123.126 2.551 . . . . 0.0 113.316 -174.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . 0.491 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 7.3 tm0? -81.49 -39.57 24.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.423 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.6 p -132.51 1.71 3.75 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.878 0.37 . . . . 0.0 111.525 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 5' ' ' CYS . 87.2 mt-30 54.69 24.9 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 124.128 0.971 . . . . 0.0 112.656 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -99.87 171.81 7.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.467 175.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.49 133.86 29.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -172.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.539 ' HB2' ' HB2' ' A' ' 3' ' ' LEU . 97.5 mt -99.74 106.72 18.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.666 -1.152 . . . . 0.0 108.335 166.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -97.51 135.96 38.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.002 0.43 . . . . 0.0 110.841 -176.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -94.66 96.6 9.52 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.624 -176.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -73.59 -29.83 62.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.9 0.857 . . . . 0.0 109.244 172.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.428 ' C ' ' H ' ' A' ' 18' ' ' HIS . 8.3 p30 -160.74 -148.07 0.16 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.447 -1.251 . . . . 0.0 107.819 178.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.2 24.76 1.08 Allowed Glycine 0 CA--C 1.524 0.655 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.853 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.428 ' H ' ' C ' ' A' ' 16' ' ' ASN . 33.1 m170 -133.59 136.13 44.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.78 102.83 13.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.079 0.466 . . . . 0.0 109.746 176.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -100.92 110.65 22.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.63 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.5 t -71.72 104.17 3.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.161 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 22' ' ' ARG . 62.7 mtt85 -71.77 86.66 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.885 178.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.8 p 174.42 -66.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.983 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.0 p -93.78 -18.13 22.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.94 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.81 14.01 80.39 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.538 -0.839 . . . . 0.0 111.554 -177.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -61.11 130.3 45.63 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.423 -0.389 . . . . 0.0 110.331 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -98.54 104.88 16.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.396 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.2 mt -113.25 105.34 18.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.991 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -88.64 171.62 9.88 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.523 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 49.3 mtt -117.4 122.93 45.17 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.131 0.491 . . . . 0.0 110.778 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -88.46 119.46 28.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.562 -179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.01 107.53 10.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.69 -176.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 99.4 mt -113.58 157.64 21.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.257 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.623 ' SG ' HD11 ' A' ' 61' ' ' ILE . 36.8 t -84.93 115.92 63.1 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 34' ' ' CYS . 24.5 Cg_exo -63.52 -19.41 67.68 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.849 2.366 . . . . 0.0 113.795 -172.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.433 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 5.2 p30 -86.36 -36.5 19.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -175.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 3.6 p -118.86 -6.05 10.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.927 0.394 . . . . 0.0 111.485 -177.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 59.95 21.31 10.35 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.75 0.82 . . . . 0.0 111.844 177.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.467 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 78.2 mt-30 -109.33 157.15 38.03 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 16.7 Cg_endo -57.13 147.64 74.36 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.137 2.558 . . . . 0.0 113.627 -174.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.46 HD13 ' HB3' ' A' ' 52' ' ' TYR . 90.7 mt -92.81 159.79 15.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.641 177.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -93.87 109.49 21.19 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 174.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.31 101.85 3.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.987 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 85.4 mt -76.78 87.95 3.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.589 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -96.55 90.28 5.3 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.491 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.67 10.77 37.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.136 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 80.0 m 71.3 -47.1 0.65 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.727 0.811 . . . . 0.0 111.214 -177.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.69 -55.89 15.47 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.538 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.04 136.26 51.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.668 0.27 . . . . 0.0 110.669 175.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 58.1 t -109.43 109.39 28.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.863 176.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -112.93 152.5 29.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.107 0.479 . . . . 0.0 111.41 -175.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.46 ' HB3' HD13 ' A' ' 41' ' ' LEU . 88.0 m-85 -108.64 106.37 16.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.969 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -113.82 131.09 56.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.629 -174.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.488 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 41.7 t -81.76 89.66 6.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -71.54 94.72 1.32 Allowed 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 172.13 -35.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.0 -1.455 . . . . 0.0 107.404 -169.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.89 57.75 0.18 Allowed Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.795 178.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.488 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 23.7 m170 -137.16 -3.62 1.96 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 117.004 0.402 . . . . 0.0 111.282 174.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.28 -148.25 35.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.091 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mp -99.56 147.39 25.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.901 0.381 . . . . 0.0 110.31 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.623 HD11 ' SG ' ' A' ' 34' ' ' CYS . 44.4 mt -107.55 144.68 15.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.193 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.2 m -57.13 131.16 49.11 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -53.36 -39.48 64.2 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.813 -174.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -90.14 6.89 40.66 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -176.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -116.82 -5.76 11.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.942 0.401 . . . . 0.0 110.599 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.43 146.42 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.992 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -78.27 105.71 9.69 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.523 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 65.4 m-85 -100.11 110.36 22.65 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.563 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.3 m -100.93 153.69 4.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.161 175.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.9 mt -70.01 118.1 12.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.493 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.197 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.043 -178.738 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 96.5 mt . . . . . 0 C--O 1.232 0.173 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.496 ' HB3' ' OE1' ' A' ' 9' ' ' GLN . 63.2 m80 -124.78 162.09 25.04 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.967 0.413 . . . . 0.0 110.808 -175.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 61.2 m -80.63 150.55 70.07 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.001 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -86.98 12.08 3.08 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.799 2.333 . . . . 0.0 112.022 175.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -149.12 -69.4 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.743 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.652 ' SG ' ' HB2' ' A' ' 24' ' ' CYS . 26.6 p -98.71 72.59 1.99 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.559 0.695 . . . . 0.0 109.323 -178.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.496 ' OE1' ' HB3' ' A' ' 4' ' ' HIS . 17.8 mm-40 -35.0 107.47 0.05 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 113.447 -1.706 . . . . 0.0 113.353 178.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.667 ' HD2' HG12 ' A' ' 11' ' ' VAL . 6.4 t60 -155.05 -79.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.445 174.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.667 HG12 ' HD2' ' A' ' 10' ' ' HIS . 11.9 p -173.72 145.62 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.585 178.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 21' ' ' CYS . 97.8 mt -94.73 109.67 21.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.607 174.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.648 ' HB2' ' HB2' ' A' ' 22' ' ' ARG . 15.6 t70 -104.76 86.73 2.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.206 0.527 . . . . 0.0 109.673 -178.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.554 ' NE2' ' H ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -72.52 131.38 42.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.386 0.612 . . . . 0.0 111.047 -173.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -94.32 -58.1 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.779 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -167.91 107.14 0.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.29 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.98 -41.06 2.99 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.075 175.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.506 ' HB2' ' O ' ' A' ' 28' ' ' ILE . 14.7 p80 -124.18 169.99 11.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.574 -0.368 . . . . 0.0 110.861 -178.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.85 110.41 22.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.354 0.597 . . . . 0.0 111.208 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -99.01 102.88 14.76 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.341 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.609 ' SG ' ' HB2' ' A' ' 26' ' ' GLU . 30.2 p -68.72 114.6 7.22 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.663 -177.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.648 ' HB2' ' HB2' ' A' ' 13' ' ' ASP . 26.2 ttt180 -61.64 128.62 37.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.895 -167.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.2 m 74.65 -33.62 0.25 Allowed 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.961 -1.018 . . . . 0.0 113.12 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.652 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 2.0 p -94.21 4.01 54.47 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -174.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.51 -57.5 0.55 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 159.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.609 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 9.5 mt-10 -43.46 123.35 3.0 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -170.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -97.97 95.21 7.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.729 170.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.506 ' O ' ' HB2' ' A' ' 18' ' ' HIS . 76.1 mt -97.14 145.79 8.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.315 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.487 ' HA ' ' HB2' ' A' ' 18' ' ' HIS . 38.0 mt-10 -104.22 148.12 26.69 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.547 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 89.7 mmm -114.22 151.58 32.56 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.586 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.489 ' HB3' HG23 ' A' ' 69' ' ' VAL . 25.3 ttpt -118.48 116.3 26.39 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.942 -175.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.48 118.56 25.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.738 -174.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 40' ' ' PRO . 86.4 mt -119.29 148.1 43.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.409 177.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.551 ' HB2' HD21 ' A' ' 41' ' ' LEU . 42.1 t -77.86 126.41 84.11 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -56.92 -34.24 96.79 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 122.794 2.329 . . . . 0.0 113.928 -171.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.47 ' OD2' ' HE1' ' A' ' 58' ' ' HIS . 0.7 OUTLIER -78.74 -33.53 46.57 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -172.739 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -125.33 -14.8 6.37 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -170.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.7 m170 60.24 22.57 11.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.914 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -70.05 135.4 87.3 Favored Pre-proline 0 N--CA 1.451 -0.424 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 169.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.427 ' HA ' HD23 ' A' ' 33' ' ' LEU . 31.4 Cg_exo -59.32 119.18 6.27 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.577 2.185 . . . . 0.0 111.278 176.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.551 HD21 ' HB2' ' A' ' 34' ' ' CYS . 69.9 mt -71.24 138.95 49.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.175 0.512 . . . . 0.0 111.292 -176.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.465 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 6.0 tp60 -81.65 126.1 31.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.069 177.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.4 t -80.04 99.96 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.718 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 50.0 mt -82.65 122.15 27.75 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.892 -174.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.419 ' HG2' HG22 ' A' ' 50' ' ' VAL . 53.5 mttt -103.99 87.66 2.83 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 165.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.23 92.03 8.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.188 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.7 t 68.79 -69.4 0.16 Allowed 'General case' 0 CA--C 1.533 0.29 0 O-C-N 124.033 0.833 . . . . 0.0 111.042 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -146.2 8.37 1.44 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.223 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.52 139.41 49.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.78 -0.247 . . . . 0.0 110.716 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.718 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 89.3 t -114.29 113.91 45.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 -178.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -131.76 -171.95 2.74 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -177.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -124.99 132.43 53.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.128 0.49 . . . . 0.0 111.011 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.515 ' HB2' HD11 ' A' ' 44' ' ' LEU . 38.9 t80 -118.57 131.0 56.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.564 -174.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.1 t -109.87 103.13 11.88 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.804 173.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.72 102.7 6.33 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 171.9 28.64 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.445 -1.252 . . . . 0.0 109.055 -176.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.39 21.4 79.63 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.586 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.47 ' HE1' ' OD2' ' A' ' 36' ' ' ASP . 53.5 m170 -109.19 -33.19 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 0.0 110.471 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.53 -135.92 31.44 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.334 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.7 mt -68.26 121.52 16.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.966 0.412 . . . . 0.0 111.32 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.4 mm -97.72 131.02 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.58 176.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.582 ' HB2' ' HD3' ' A' ' 65' ' ' ARG . 5.7 m -55.9 127.62 31.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.314 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -65.05 -22.02 66.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.47 -173.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -85.89 -4.0 59.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.082 0.468 . . . . 0.0 111.037 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.582 ' HD3' ' HB2' ' A' ' 62' ' ' SER . 65.0 mtp180 -115.61 5.77 14.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.702 -177.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.479 HG13 HD12 ' A' ' 41' ' ' LEU . 96.9 t -74.71 136.71 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.46 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -87.77 102.43 14.66 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -91.89 110.98 22.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.24 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.489 HG23 ' HB3' ' A' ' 31' ' ' LYS . 31.5 m -104.95 -174.69 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.22 144.31 28.21 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.41 -0.805 . . . . 0.0 110.726 178.682 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.9 mp . . . . . 0 N--CA 1.452 -0.365 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -117.16 144.3 44.88 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 9' ' ' GLN . 2.4 m -74.49 141.73 76.94 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 174.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -70.14 -42.52 2.95 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 121.867 1.711 . . . . 0.0 112.178 176.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -91.45 -68.08 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.332 0.587 . . . . 0.0 110.492 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.429 ' C ' ' HB2' ' A' ' 5' ' ' CYS . 20.3 p -84.9 56.73 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.033 178.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 8.5 pt20 -48.77 100.72 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.747 1.018 . . . . 0.0 113.747 -171.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.616 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 18.1 m80 -158.42 -172.33 3.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.126 174.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 94.6 t -68.19 129.92 33.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.148 0.499 . . . . 0.0 112.138 -176.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 mt -110.31 135.29 51.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.444 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -108.54 105.28 14.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -91.72 102.9 15.52 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.29 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -101.54 -86.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.912 -172.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -126.24 86.32 2.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.183 0.516 . . . . 0.0 110.43 -176.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.48 -35.62 2.64 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.17 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -112.67 138.69 49.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.75 112.32 23.92 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.664 0.269 . . . . 0.0 110.343 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -107.55 133.91 51.33 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.475 0.655 . . . . 0.0 110.481 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.625 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 12.8 m -61.91 139.07 58.41 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.334 177.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -88.01 -62.27 1.53 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.089 0.471 . . . . 0.0 110.125 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.5 ' HB2' ' HB3' ' A' ' 10' ' ' HIS . 0.7 OUTLIER -63.96 -48.63 75.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.826 -175.388 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.661 ' HB2' ' OE2' ' A' ' 26' ' ' GLU . 1.2 p -88.51 -33.9 17.6 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -176.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.403 ' H ' ' HB2' ' A' ' 21' ' ' CYS . . . 103.62 -18.47 47.47 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 120.351 -0.928 . . . . 0.0 115.271 169.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.661 ' OE2' ' HB2' ' A' ' 24' ' ' CYS . 18.5 mp0 -60.25 158.93 10.65 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 117.947 0.873 . . . . 0.0 111.103 -177.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -115.51 129.86 56.68 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 174.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.1 mt -116.43 129.52 72.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.642 -176.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -87.17 144.52 26.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 68.0 mtp -126.81 149.49 49.66 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.001 0.429 . . . . 0.0 110.988 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -108.98 130.7 55.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.218 -175.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.4 119.46 31.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.832 0.349 . . . . 0.0 111.152 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.4 mt -113.13 139.8 48.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.507 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.517 ' HB2' HD21 ' A' ' 41' ' ' LEU . 49.8 t -76.36 118.78 73.84 Favored Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.72 -43.41 40.3 Favored 'Trans proline' 0 N--CA 1.477 0.546 0 C-N-CA 123.166 2.577 . . . . 0.0 114.021 -171.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -72.25 0.15 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -178.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -74.69 -14.67 60.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.932 0.396 . . . . 0.0 111.612 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.72 18.29 10.51 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.951 0.9 . . . . 0.0 111.976 178.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.419 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 74.4 mt-30 -105.98 157.0 35.76 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.163 176.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 21.5 Cg_endo -60.3 156.36 41.1 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.231 2.62 . . . . 0.0 113.695 -174.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.56 HD13 ' HB3' ' A' ' 52' ' ' TYR . 89.1 mt -99.33 150.83 21.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.109 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -79.34 113.35 17.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.541 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.7 t -74.35 109.64 7.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.947 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 53' ' ' PHE . 87.5 mt -86.29 91.65 8.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.637 -178.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -84.39 87.51 7.22 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 174.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.18 -169.93 1.84 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.781 -176.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.0 m -75.33 86.93 2.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.988 0.423 . . . . 0.0 111.204 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.76 -7.01 82.63 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.553 176.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.96 131.38 51.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.799 0.333 . . . . 0.0 110.775 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 59.7 t -123.79 115.91 46.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 177.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -133.67 -173.8 3.34 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.281 -176.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.56 ' HB3' HD13 ' A' ' 41' ' ' LEU . 84.9 m-85 -129.11 118.26 22.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.437 0.636 . . . . 0.0 111.551 -175.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.563 ' HB2' HD11 ' A' ' 44' ' ' LEU . 88.4 t80 -107.18 132.23 53.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.077 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 51.7 t -80.86 89.25 5.84 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.508 ' O ' ' HB2' ' A' ' 56' ' ' HIS . 5.5 tm0? -75.8 101.51 5.12 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 2.1 t-80 164.44 -27.84 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 113.947 -1.479 . . . . 0.0 107.862 -170.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.82 51.87 0.25 Allowed Glycine 0 C--N 1.333 0.367 0 CA-C-N 115.183 -0.917 . . . . 0.0 113.119 175.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.58 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 37.2 m170 -132.13 -8.85 3.41 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 117.204 0.502 . . . . 0.0 111.42 175.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.03 -161.97 38.41 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.065 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.95 150.79 28.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 117.223 0.511 . . . . 0.0 110.377 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.0 mm -120.21 144.05 30.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.681 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.5 m -65.51 121.24 14.45 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.531 ' HB3' ' HD2' ' A' ' 52' ' ' TYR . 14.5 pttm -73.19 -5.75 41.3 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -172.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' A' ' 64' ' ' LYS . 46.7 mtpt -100.63 6.57 44.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.173 0.511 . . . . 0.0 110.222 171.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 65' ' ' ARG . 13.1 ttt180 -124.0 14.45 9.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.609 0.719 . . . . 0.0 109.453 -177.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.0 p -98.3 155.07 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.338 -176.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -93.63 116.73 29.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.802 0.334 . . . . 0.0 110.112 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -97.23 130.41 44.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.021 0.439 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.1 m -121.13 179.59 2.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.573 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.5 mt -78.24 143.9 36.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.709 0.29 . . . . 0.0 110.819 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.756 -0.64 . . . . 0.0 110.0 176.544 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.5 mt . . . . . 0 N--CA 1.448 -0.564 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -117.21 156.06 28.35 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 2.9 p -93.5 114.47 63.02 Favored Pre-proline 0 C--O 1.216 -0.692 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.832 -174.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 36.8 Cg_exo -60.83 -18.54 57.1 Favored 'Trans proline' 0 N--CA 1.474 0.372 0 C-N-CA 122.896 2.398 . . . . 0.0 113.267 -175.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -83.94 -36.44 23.26 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -176.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.479 ' SG ' ' OE2' ' A' ' 26' ' ' GLU . 0.5 OUTLIER -135.39 2.44 2.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -173.438 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 45.89 84.05 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.571 1.148 . . . . 0.0 113.692 175.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -162.28 -177.94 6.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.767 171.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.4 p -72.36 134.99 28.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.504 0.669 . . . . 0.0 112.474 -173.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.706 HD21 HD12 ' A' ' 28' ' ' ILE . 18.0 mt -104.7 50.38 0.79 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.121 174.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.56 101.5 1.01 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.966 0.412 . . . . 0.0 109.94 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.552 ' HB3' ' HA ' ' A' ' 19' ' ' ALA . 10.1 pt20 -87.16 144.87 26.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.265 -176.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.61 -52.9 8.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.53 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -169.15 101.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.063 177.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.24 -53.52 4.78 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.54 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -88.69 124.89 34.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.699 0.285 . . . . 0.0 110.697 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.552 ' HA ' ' HB3' ' A' ' 14' ' ' GLN . . . -96.45 152.82 18.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.437 178.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -142.95 140.58 31.17 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.044 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.69 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 86.7 m -69.25 92.78 0.58 Allowed 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 170.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -60.51 -48.53 81.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.766 0.317 . . . . 0.0 111.225 -172.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -71.14 -36.82 72.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.26 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.69 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 2.3 m -79.5 -49.41 12.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.216 -174.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.26 -30.27 5.87 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.709 -177.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.535 ' OE2' ' SG ' ' A' ' 21' ' ' CYS . 0.0 OUTLIER -75.1 156.82 35.64 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.949 0.404 . . . . 0.0 111.633 -175.004 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -99.19 151.74 20.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.458 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.706 HD12 HD21 ' A' ' 12' ' ' LEU . 51.2 mt -137.17 120.12 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 0.0 110.223 176.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -74.88 139.63 43.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.498 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 83.7 mtp -128.13 155.17 44.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.187 177.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -118.84 138.16 52.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.137 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.443 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -92.71 119.1 31.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.702 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.0 mt -126.67 160.81 29.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.078 0.465 . . . . 0.0 111.251 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.493 ' HB2' HD21 ' A' ' 41' ' ' LEU . 48.3 t -77.65 124.49 86.54 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 172.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -50.81 -41.54 54.6 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.418 2.745 . . . . 0.0 113.433 -174.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.0 -78.35 0.1 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -177.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 p -72.09 -14.54 61.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -173.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.3 m80 59.05 25.05 13.39 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.297 0.57 . . . . 0.0 111.628 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -89.86 152.61 46.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.062 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -60.52 130.15 32.42 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.866 2.378 . . . . 0.0 112.062 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.527 HD13 ' HB3' ' A' ' 52' ' ' TYR . 97.5 mt -80.53 142.54 34.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.375 178.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -83.67 122.35 28.5 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.818 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.0 t -74.44 110.72 9.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.262 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.6 mt -87.43 106.53 18.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.349 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -94.77 93.46 7.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.513 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.0 -176.45 3.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.158 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.6 p -83.01 81.74 8.54 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.203 0.525 . . . . 0.0 110.763 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.74 -38.65 2.38 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.952 177.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.19 146.37 50.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.178 0.513 . . . . 0.0 111.858 -173.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.4 t -117.07 128.14 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.748 177.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -125.39 167.87 14.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.998 0.427 . . . . 0.0 110.89 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.527 ' HB3' HD13 ' A' ' 41' ' ' LEU . 45.0 m-85 -114.02 114.25 25.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.202 -175.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -101.01 130.72 47.05 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.831 -176.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.587 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 50.8 t -87.24 89.52 8.03 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -67.54 95.24 0.46 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.872 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 172.22 -40.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.446 -1.252 . . . . 0.0 108.384 -175.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.09 46.07 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.724 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.587 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 35.8 m170 -126.94 -1.15 6.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 117.006 0.403 . . . . 0.0 111.14 176.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.42 -135.39 22.22 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.241 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.4 mt -96.66 132.01 42.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.075 0.464 . . . . 0.0 111.112 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.4 mm -95.14 128.61 46.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.206 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.6 m -56.94 142.67 40.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.541 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -57.21 -38.22 73.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.985 -171.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -84.79 -9.63 57.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.936 0.398 . . . . 0.0 110.609 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -89.43 -16.35 31.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.5 -177.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.443 HG11 ' HB1' ' A' ' 32' ' ' ALA . 96.3 t -58.56 129.86 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.389 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -87.78 109.74 19.96 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -91.27 112.01 23.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.378 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.1 m -104.2 169.53 2.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.9 mt -82.06 148.72 28.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.561 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.337 177.089 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.1 tp . . . . . 0 N--CA 1.451 -0.422 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -80.87 151.34 28.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.63 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.514 ' HB2' ' N ' ' A' ' 9' ' ' GLN . 55.6 m -74.73 125.62 89.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.875 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.81 -42.15 71.47 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.516 2.144 . . . . 0.0 112.105 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -92.77 -68.68 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.019 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.431 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 1.0 OUTLIER -79.79 13.62 2.07 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -170.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.514 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 33.8 mm-40 68.57 -69.8 0.14 Allowed 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 168.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -46.3 -97.19 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -160.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.2 t -143.52 140.75 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 O-C-N 121.75 -0.594 . . . . 0.0 111.881 -170.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.434 HD21 HD12 ' A' ' 28' ' ' ILE . 96.0 mt -106.22 163.96 12.39 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.391 173.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.651 ' HB2' ' HG2' ' A' ' 22' ' ' ARG . 36.2 t70 -139.54 108.1 5.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.099 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -103.3 130.01 50.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.234 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -136.06 -78.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.252 171.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -93.11 49.65 1.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.929 -176.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.45 -37.79 2.25 Favored Glycine 0 CA--C 1.517 0.168 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.445 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -79.99 143.13 34.39 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.767 -0.255 . . . . 0.0 110.376 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.64 107.86 16.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.486 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.425 ' CD ' ' HD1' ' A' ' 27' ' ' PHE . 46.7 mmm-85 -95.99 127.81 42.33 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.941 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.652 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 99.1 m -74.13 90.0 2.02 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.17 176.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.651 ' HG2' ' HB2' ' A' ' 13' ' ' ASP . 12.5 ptt180 -82.32 57.47 3.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.85 0.833 . . . . 0.0 109.994 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.4 m -165.28 -54.62 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.372 -1.285 . . . . 0.0 108.491 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.652 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.1 OUTLIER -93.82 -51.71 4.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.913 178.781 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.25 -22.35 3.4 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 120.349 -0.929 . . . . 0.0 114.584 173.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.581 ' OE2' ' HB2' ' A' ' 24' ' ' CYS . 9.8 mp0 -56.92 156.18 7.08 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -172.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.425 ' HD1' ' CD ' ' A' ' 20' ' ' ARG . 51.0 t80 -110.1 112.92 25.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.986 -1.007 . . . . 0.0 109.571 172.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.434 HD12 HD21 ' A' ' 12' ' ' LEU . 64.5 mt -116.05 139.77 41.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.919 0.39 . . . . 0.0 110.125 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -114.96 134.88 54.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.981 0.419 . . . . 0.0 110.19 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.469 ' HG2' HD23 ' A' ' 70' ' ' LEU . 74.3 mtp -113.84 119.19 36.48 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -74.52 131.95 41.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.415 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -90.16 101.47 14.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.965 175.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.4 mt -111.41 162.05 15.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.741 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.49 ' HB2' HD21 ' A' ' 41' ' ' LEU . 40.5 t -78.55 111.11 16.71 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.438 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 53.2 Cg_exo -56.25 -23.6 46.53 Favored 'Trans proline' 0 N--CA 1.476 0.485 0 C-N-CA 123.414 2.742 . . . . 0.0 114.117 -171.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.466 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 0.0 OUTLIER -75.51 -24.0 56.77 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.615 0.245 . . . . 0.0 111.371 -176.884 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.8 p -135.25 -11.83 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -175.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.1 m80 59.88 23.93 12.97 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 122.827 0.451 . . . . 0.0 111.381 -176.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -96.38 150.82 37.58 Favored Pre-proline 0 C--O 1.237 0.432 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -56.96 139.75 90.5 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 123.209 2.606 . . . . 0.0 113.502 -177.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.549 HD13 ' HB3' ' A' ' 52' ' ' TYR . 52.5 mt -92.13 152.28 19.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.905 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -95.57 113.67 25.34 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 174.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.6 t -75.8 101.6 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.368 -175.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.541 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 78.0 mt -87.58 89.19 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.72 176.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -112.36 112.07 23.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.558 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.49 -49.26 7.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.678 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.5 t -162.8 -74.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.74 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.47 -18.44 11.88 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 177.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.52 138.53 33.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.378 -0.411 . . . . 0.0 110.347 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.5 p -138.44 124.75 25.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.131 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.541 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 6.1 m-20 -113.78 134.99 54.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.126 -178.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.549 ' HB3' HD13 ' A' ' 41' ' ' LEU . 82.3 m-85 -89.16 102.33 14.98 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -100.66 116.81 33.45 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.481 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 41.8 t -78.25 88.76 4.3 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.9 94.98 1.49 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.523 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 177.47 -31.3 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.146 -1.388 . . . . 0.0 108.073 -173.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.76 49.66 0.19 Allowed Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.415 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.537 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 39.3 m170 -128.97 -26.94 2.57 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.957 0.378 . . . . 0.0 111.275 177.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.13 -155.39 18.63 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.919 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 51' ' ' ASP . 96.1 mt -91.09 137.81 32.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.08 0.467 . . . . 0.0 111.563 -176.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 46.2 mm -113.26 140.56 32.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.025 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.7 m -69.56 161.18 30.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.173 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.447 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . 62.1 tttm -76.84 -24.23 52.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.159 0.504 . . . . 0.0 110.31 -178.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -84.08 -7.2 59.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.505 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 35' ' ' PRO . 32.8 ttm180 -118.31 24.82 10.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.42 -170.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.415 HG21 ' HB1' ' A' ' 32' ' ' ALA . 13.9 p -98.87 153.65 4.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.647 -177.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -97.81 123.88 41.95 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -107.34 112.0 24.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.773 0.321 . . . . 0.0 110.468 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.9 m -112.94 142.85 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.913 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.469 HD23 ' HG2' ' A' ' 30' ' ' MET . 95.2 mt -72.99 135.62 44.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.484 -0.769 . . . . 0.0 110.279 175.883 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.5 mt . . . . . 0 N--CA 1.452 -0.355 0 CA-C-O 120.939 0.399 . . . . 0.0 109.952 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -114.4 162.73 16.27 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.576 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 6.3 t -82.85 103.78 2.87 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -176.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -45.95 -41.62 20.6 Favored 'Trans proline' 0 N--CA 1.476 0.493 0 C-N-CA 123.672 2.915 . . . . 0.0 114.839 -165.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -76.31 -45.82 30.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -172.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.3 p -104.97 -4.69 21.77 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -173.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.457 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 16.0 mm-40 46.51 73.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 123.759 0.824 . . . . 0.0 112.371 -176.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -138.11 166.25 24.59 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.768 175.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.4 131.62 30.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.325 0.583 . . . . 0.0 111.724 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.486 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 82.4 mt -97.97 101.43 12.91 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 168.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.93 109.73 2.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.817 0.342 . . . . 0.0 111.491 -176.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -77.06 95.6 4.24 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 171.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -106.02 -89.79 0.43 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.372 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -136.4 115.83 12.74 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.39 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.48 -67.65 2.77 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.3 174.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.465 ' HB3' ' HA ' ' A' ' 29' ' ' GLU . 23.8 m-70 -127.45 170.94 12.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.048 0.424 . . . . 0.0 111.031 -175.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.486 ' HB1' ' HB3' ' A' ' 12' ' ' LEU . . . -97.59 147.16 24.57 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.47 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.562 ' HA ' ' HD1' ' A' ' 27' ' ' PHE . 41.4 mtp180 -130.79 131.07 44.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.551 -177.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 t -103.93 94.89 5.65 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.472 ' O ' ' HB2' ' A' ' 23' ' ' SER . 2.8 ptp85 -68.5 88.9 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.508 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.472 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 34.0 t 171.08 -58.14 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.53 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.891 ' SG ' ' HB3' ' A' ' 26' ' ' GLU . 9.0 p -94.02 -14.32 25.98 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -169.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.48 2.53 63.83 Favored Glycine 0 C--O 1.229 -0.182 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -172.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.891 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -95.28 104.58 16.48 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.233 -0.984 . . . . 0.0 108.874 -179.627 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.562 ' HD1' ' HA ' ' A' ' 20' ' ' ARG . 61.7 m-85 -109.3 140.18 43.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.499 -174.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.489 HG21 HD22 ' A' ' 70' ' ' LEU . 43.0 mm -106.77 111.8 37.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 0.6 OUTLIER -71.63 119.2 15.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.432 0.634 . . . . 0.0 110.124 -178.424 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.498 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 46.4 mtt -85.08 113.87 21.8 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.588 174.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' A' ' 31' ' ' LYS . 4.2 ttmp? -87.07 130.56 34.44 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.81 -178.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.471 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -81.32 103.15 10.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.624 -174.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.9 mt -109.9 155.37 21.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.816 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.456 ' HB2' HD21 ' A' ' 41' ' ' LEU . 42.3 t -76.92 131.41 73.31 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.82 -34.75 66.84 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 123.124 2.549 . . . . 0.0 113.244 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.32 -82.78 0.19 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 p -64.52 -19.42 65.59 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -175.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.448 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 19.5 m170 64.35 18.05 11.11 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 177.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.442 HE21 ' HB3' ' A' ' 39' ' ' GLN . 20.9 mt-30 -80.58 146.69 61.49 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 171.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -59.16 124.48 15.71 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.721 2.281 . . . . 0.0 111.432 176.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' A' ' 34' ' ' CYS . 79.9 mt -66.95 142.8 57.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.073 -177.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -73.89 115.55 13.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.933 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.6 t -74.04 97.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.463 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.517 HD11 ' HB2' ' A' ' 53' ' ' PHE . 70.2 mt -83.36 95.98 8.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.35 -179.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -90.35 92.46 8.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.056 0.455 . . . . 0.0 109.887 176.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.15 84.69 4.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.037 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 61.7 m 66.06 -78.55 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.38 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -123.99 -5.86 7.29 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.383 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.62 148.62 26.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.58 0.229 . . . . 0.0 110.777 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 66.8 t -127.74 115.36 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.773 0.321 . . . . 0.0 110.689 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -114.65 160.69 19.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.362 178.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.438 ' HB3' HD13 ' A' ' 41' ' ' LEU . 91.6 m-85 -117.35 109.36 16.72 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 176.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.517 ' HB2' HD11 ' A' ' 44' ' ' LEU . 56.3 t80 -107.07 134.88 49.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.918 0.39 . . . . 0.0 111.331 -175.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 42.8 t -94.42 93.06 7.45 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 175.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.45 95.34 0.61 Allowed 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.471 0.653 . . . . 0.0 109.745 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 176.01 -28.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.017 -1.447 . . . . 0.0 108.074 -174.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.69 33.25 1.02 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.817 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.449 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 38.4 m170 -110.19 -3.28 16.41 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.402 -0.469 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.32 -164.59 35.03 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.825 175.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.85 120.65 34.38 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.449 HG23 ' HB3' ' A' ' 65' ' ' ARG . 70.0 mt -92.5 124.56 44.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.785 -176.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.8 m -69.36 160.89 30.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.015 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -62.96 -21.12 65.87 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -175.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -96.57 -8.42 31.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.881 0.372 . . . . 0.0 110.74 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.449 ' HB3' HG23 ' A' ' 61' ' ' ILE . 32.5 ttt180 -103.84 -6.15 21.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.225 0.536 . . . . 0.0 110.263 -172.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.471 HG21 ' HB1' ' A' ' 32' ' ' ALA . 7.2 p -87.3 151.14 3.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.602 -177.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -92.54 115.42 28.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.498 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 45.4 m-85 -93.51 123.47 36.84 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.65 178.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 30' ' ' MET . 33.4 m -110.55 160.4 9.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.005 175.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.489 HD22 HG21 ' A' ' 28' ' ' ILE . 60.3 mt -84.48 93.39 8.31 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.975 -179.04 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.8 mt . . . . . 0 N--CA 1.454 -0.226 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.723 ' HB3' ' OE1' ' A' ' 9' ' ' GLN . 35.7 m80 -103.99 160.53 14.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.154 0.502 . . . . 0.0 111.547 -174.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.46 ' HB3' ' OE1' ' A' ' 26' ' ' GLU . 4.3 m -96.53 133.89 24.09 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.461 178.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -66.19 -31.61 44.4 Favored 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 122.251 1.967 . . . . 0.0 112.455 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -97.55 -49.13 5.0 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.521 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 15.2 p -120.38 76.84 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.321 0.581 . . . . 0.0 110.361 -177.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.723 ' OE1' ' HB3' ' A' ' 4' ' ' HIS . 16.9 mm-40 -46.64 112.57 0.52 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.603 -1.181 . . . . 0.0 112.975 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.705 ' HD2' HG12 ' A' ' 11' ' ' VAL . 8.0 t60 -165.95 -78.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.077 172.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.705 HG12 ' HD2' ' A' ' 10' ' ' HIS . 7.2 p -170.4 143.32 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.171 0.51 . . . . 0.0 111.31 177.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.3 mt -105.21 140.05 38.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.099 172.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.644 ' HB2' ' HB2' ' A' ' 22' ' ' ARG . 38.7 t70 -94.28 141.88 28.05 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.424 ' HA ' HE21 ' A' ' 14' ' ' GLN . 0.1 OUTLIER -121.4 103.26 8.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.907 0.384 . . . . 0.0 111.43 -175.187 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -119.04 -35.21 3.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.444 0.64 . . . . 0.0 109.944 174.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . 0.403 ' C ' ' H ' ' A' ' 18' ' ' HIS . 31.1 m-80 -131.79 -164.1 1.41 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.054 176.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.69 30.0 2.59 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.275 174.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.403 ' H ' ' C ' ' A' ' 16' ' ' ASN . 32.3 m170 -131.97 120.72 22.85 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.01 100.28 12.96 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.219 0.533 . . . . 0.0 110.816 -175.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -99.31 129.05 45.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.215 177.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.535 ' HB2' ' H ' ' A' ' 26' ' ' GLU . 58.3 m -69.64 106.97 3.24 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.644 ' HB2' ' HB2' ' A' ' 13' ' ' ASP . 0.6 OUTLIER -81.18 47.07 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.467 0.651 . . . . 0.0 109.266 176.396 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.3 p -174.88 -73.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.868 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -69.65 -19.07 63.62 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -175.304 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.6 29.82 46.91 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.668 -0.777 . . . . 0.0 113.793 174.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.535 ' H ' ' HB2' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -103.3 151.66 22.44 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 177.473 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -115.06 125.42 53.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.004 0.43 . . . . 0.0 110.758 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 57.9 mt -132.48 147.7 31.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.518 ' HG3' ' HB3' ' A' ' 71' ' ' ALA . 10.0 pt-20 -117.13 148.38 41.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.061 0.458 . . . . 0.0 110.194 174.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.457 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 77.9 mtp -108.71 112.05 24.14 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 177.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.507 ' HE2' HD21 ' A' ' 33' ' ' LEU . 80.9 tttt -74.17 119.37 18.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.452 -171.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.45 96.33 6.03 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.927 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.507 HD21 ' HE2' ' A' ' 31' ' ' LYS . 84.7 mt -110.24 160.54 16.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.975 -178.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.512 ' HB2' HD21 ' A' ' 41' ' ' LEU . 45.3 t -87.74 120.36 70.91 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 172.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -56.18 -21.66 36.62 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 123.297 2.664 . . . . 0.0 114.232 -171.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -92.51 -13.79 29.33 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -176.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.46 ' SG ' ' HB3' ' A' ' 34' ' ' CYS . 3.6 p -140.47 -2.22 1.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -176.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 52.2 13.32 0.27 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.386 1.074 . . . . 0.0 113.232 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.413 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 21.7 mt-30 -89.15 147.12 37.74 Favored Pre-proline 0 C--O 1.238 0.475 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 39' ' ' GLN . 32.1 Cg_exo -59.02 127.35 23.92 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 123.141 2.561 . . . . 0.0 112.189 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.545 HD13 ' HB3' ' A' ' 52' ' ' TYR . 88.7 mt -70.27 133.76 47.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.542 177.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -66.2 109.2 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.786 178.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.07 101.58 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.102 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.479 HD12 ' HB2' ' A' ' 51' ' ' ASP . 84.1 mt -77.83 86.47 4.07 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.803 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -90.49 92.22 8.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.372 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.79 20.67 16.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.628 -173.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.7 m 66.53 88.68 0.11 Allowed 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.66 0.6 . . . . 0.0 111.016 -178.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.8 -24.58 30.26 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.524 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.41 136.01 54.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.469 -0.365 . . . . 0.0 110.033 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.3 t -135.97 114.03 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 123.326 0.391 . . . . 0.0 110.386 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.479 ' HB2' HD12 ' A' ' 44' ' ' LEU . 44.9 m-20 -122.13 154.68 37.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.243 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.545 ' HB3' HD13 ' A' ' 41' ' ' LEU . 95.1 m-85 -107.79 109.84 21.5 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 177.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -106.48 133.88 50.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.923 0.392 . . . . 0.0 111.564 -174.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 44.3 t -111.63 103.18 11.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.492 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -74.77 94.87 2.8 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -179.96 23.89 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.759 -176.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.57 28.71 73.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.087 -175.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.4 m170 -111.53 -21.61 11.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.825 0.345 . . . . 0.0 110.824 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.31 -149.5 35.65 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.771 176.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 mp -86.63 130.22 34.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.032 0.444 . . . . 0.0 110.823 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.6 mm -102.11 126.1 56.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.256 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -62.79 142.75 58.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.097 177.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HA ' HG23 ' A' ' 66' ' ' VAL . 37.3 ttpt -63.01 -31.96 73.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.706 0.289 . . . . 0.0 111.747 -171.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -75.98 -13.11 60.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.103 0.477 . . . . 0.0 110.476 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -102.17 -0.07 33.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.41 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.471 HG23 ' HA ' ' A' ' 63' ' ' LYS . 89.0 t -74.34 139.82 18.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.459 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -86.11 104.73 15.97 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.457 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 96.0 m-85 -96.03 109.56 21.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.24 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.9 m -100.51 150.24 5.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.177 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.4 tp -82.03 107.16 14.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.208 -175.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.518 ' HB3' ' HG3' ' A' ' 29' ' ' GLU . . . . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.638 -178.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.825 0.345 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -112.97 153.17 28.46 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.165 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.558 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 15.8 t -74.84 117.76 65.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 178.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -45.66 -33.09 9.47 Favored 'Trans proline' 0 N--CA 1.475 0.402 0 C-N-CA 123.656 2.904 . . . . 0.0 114.452 -170.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -90.87 -73.62 0.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.0 0.429 . . . . 0.0 111.392 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.9 p -85.33 2.27 44.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.445 -171.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 17.0 mm-40 62.37 -103.74 0.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.96 0.504 . . . . 0.0 111.563 -178.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 52.6 -92.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.061 0.544 . . . . 0.0 111.046 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.8 p -178.4 146.65 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.476 HD13 ' HB1' ' A' ' 19' ' ' ALA . 51.7 mt -97.7 99.82 11.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.154 174.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -89.18 91.05 8.63 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 175.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -73.16 126.79 30.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.352 -170.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -65.98 -57.58 7.47 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.972 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -173.03 -58.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.228 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.43 15.43 15.03 Favored Glycine 0 C--O 1.228 -0.251 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.355 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -136.99 139.2 41.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.558 0.218 . . . . 0.0 110.575 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.476 ' HB1' HD13 ' A' ' 12' ' ' LEU . . . -92.55 90.33 7.1 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 172.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 ttm105 -101.53 117.88 35.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.376 0.608 . . . . 0.0 111.412 -173.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.436 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 48.9 t -84.54 90.08 7.57 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.44 ' O ' ' HB2' ' A' ' 23' ' ' SER . 41.6 mtt180 -64.35 89.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.513 -176.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 31.6 t 170.47 -53.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.279 -176.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.825 ' SG ' ' HB3' ' A' ' 26' ' ' GLU . 18.6 p -93.62 -16.63 24.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.798 -173.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.04 -37.8 3.08 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -172.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.825 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 2.6 tt0 -48.13 107.01 0.11 Allowed 'General case' 0 C--O 1.239 0.502 0 C-N-CA 124.076 0.95 . . . . 0.0 111.124 172.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -126.83 135.38 50.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.368 177.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 29' ' ' GLU . 54.3 mt -110.37 137.65 41.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.052 -173.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.433 ' O ' HG22 ' A' ' 28' ' ' ILE . 6.4 mp0 -72.94 155.62 39.68 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 173.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.0 mtp -121.94 136.35 54.92 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.761 ' HE3' ' HA ' ' A' ' 71' ' ' ALA . 96.7 mttt -84.47 122.13 28.55 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.179 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.31 94.73 7.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.261 178.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.2 mt -103.41 162.73 12.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.173 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.435 ' HB2' HD21 ' A' ' 41' ' ' LEU . 26.1 t -84.84 130.95 50.77 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 176.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -56.64 -34.9 96.76 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.887 2.391 . . . . 0.0 112.837 -175.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.74 -75.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.123 -177.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 p -74.38 -10.16 59.3 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -174.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 64.14 5.98 2.71 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -86.26 144.68 38.76 Favored Pre-proline 0 N--CA 1.446 -0.633 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.54 143.23 56.97 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.454 2.77 . . . . 0.0 113.342 -175.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.503 HD12 HG13 ' A' ' 66' ' ' VAL . 96.5 mt -91.83 137.4 32.39 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.245 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.476 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 35.9 tt0 -74.0 112.4 10.09 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 177.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.6 t -73.73 116.45 16.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.397 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.516 HD11 ' HB2' ' A' ' 53' ' ' PHE . 43.3 mt -107.04 92.77 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.329 -178.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -97.18 110.06 22.69 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.052 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.99 89.16 2.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.466 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.2 t 67.81 -71.54 0.1 Allowed 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.469 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -119.52 -44.47 0.47 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.714 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.49 156.61 22.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.91 0.386 . . . . 0.0 111.215 -178.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 7.4 p -138.38 135.0 44.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.396 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -123.57 170.81 10.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.009 0.433 . . . . 0.0 110.382 177.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.442 ' HB3' HD13 ' A' ' 41' ' ' LEU . 84.3 m-85 -124.39 113.71 18.54 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.516 ' HB2' HD11 ' A' ' 44' ' ' LEU . 52.7 t80 -104.33 118.23 36.12 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.865 -171.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 36.8 t -95.94 94.39 7.58 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.685 173.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -79.27 94.68 5.49 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -177.03 29.41 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.062 -175.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.18 18.07 77.08 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.361 -176.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 60.6 m170 -109.18 -56.59 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.91 -141.97 15.83 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.327 -0.94 . . . . 0.0 112.589 175.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.6 mt -73.68 119.33 17.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.974 0.416 . . . . 0.0 111.181 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.9 mm -93.61 136.64 24.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.631 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.8 t -62.21 140.88 58.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.385 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -64.36 -19.79 65.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -89.85 -11.53 41.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.694 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -113.43 15.64 19.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.291 0.567 . . . . 0.0 110.539 -172.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.503 HG13 HD12 ' A' ' 41' ' ' LEU . 57.7 t -81.35 143.06 12.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.277 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -82.37 102.07 11.01 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.471 ' CZ ' ' HB ' ' A' ' 66' ' ' VAL . 84.1 m-85 -94.58 102.84 14.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.993 -176.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.421 ' CG2' ' HB2' ' A' ' 31' ' ' LYS . 34.7 m -109.11 157.98 9.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.172 176.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.51 150.09 45.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.337 -0.392 . . . . 0.0 109.997 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.761 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.444 177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.7 mt . . . . . 0 N--CA 1.452 -0.372 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -110.81 157.68 19.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.877 0.37 . . . . 0.0 111.511 -174.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.4 t -74.47 127.9 86.71 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.662 177.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -63.44 -18.37 64.25 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.437 2.092 . . . . 0.0 112.187 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -105.13 -81.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.701 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.0 p -92.31 70.73 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.474 0.654 . . . . 0.0 109.406 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -32.26 112.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 113.666 -1.606 . . . . 0.0 112.331 175.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -153.61 -82.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.445 -1.252 . . . . 0.0 108.578 -177.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p -176.93 144.3 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.066 176.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.0 mt -86.33 96.28 9.93 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.922 0.392 . . . . 0.0 110.272 176.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.572 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 14.2 t70 -66.56 105.18 1.44 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.236 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 19' ' ' ALA . 6.8 pt20 -112.14 135.77 52.38 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.074 0.464 . . . . 0.0 111.324 -174.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -148.7 146.94 28.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.529 -178.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 73.28 -44.01 0.57 Allowed 'General case' 0 N--CA 1.471 0.621 0 O-C-N 123.706 0.629 . . . . 0.0 112.109 177.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.78 1.05 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.375 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 -136.96 160.66 38.25 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.709 -0.289 . . . . 0.0 110.325 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . . . -100.47 162.81 12.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.093 0.473 . . . . 0.0 111.322 -176.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.572 ' HG2' ' O ' ' A' ' 13' ' ' ASP . 36.5 ptt180 -148.19 144.01 27.43 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.24 176.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.5 t -110.08 107.81 17.79 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 171.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 22' ' ' ARG . 50.2 mtp180 -60.37 -28.9 68.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.967 -173.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.1 t -82.93 -12.73 57.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.858 0.361 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.5 m -93.89 -68.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.394 0.616 . . . . 0.0 110.746 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.51 -19.81 11.37 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -168.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -75.91 138.08 40.8 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.249 -0.476 . . . . 0.0 110.833 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -110.21 138.31 46.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.261 173.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.3 mt -115.08 121.86 67.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.033 -172.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -71.55 123.02 21.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.875 0.369 . . . . 0.0 110.205 174.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 81.6 mtp -110.94 130.39 55.6 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 174.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -98.13 118.93 35.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.955 0.407 . . . . 0.0 110.929 -175.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.43 102.91 8.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.145 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.2 mt -100.02 163.19 12.54 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.89 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.517 ' HB2' HD21 ' A' ' 41' ' ' LEU . 44.0 t -91.97 115.78 65.25 Favored Pre-proline 0 C--N 1.316 -0.867 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 173.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.25 -36.42 77.82 Favored 'Trans proline' 0 N--CA 1.475 0.427 0 C-N-CA 122.988 2.459 . . . . 0.0 113.195 -173.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.449 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 1.8 p30 -83.25 2.53 35.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.829 -177.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.8 m -128.27 -35.07 2.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.819 0.343 . . . . 0.0 110.834 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.8 t60 67.55 14.01 9.45 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.099 0.959 . . . . 0.0 110.188 -174.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.435 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 76.8 mt-30 -110.24 156.11 40.75 Favored Pre-proline 0 C--O 1.237 0.419 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.759 175.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 32.1 Cg_endo -62.9 151.41 84.55 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.961 2.44 . . . . 0.0 113.543 -173.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 52' ' ' TYR . 95.5 mt -90.08 157.72 17.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.667 177.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.552 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 53.6 tt0 -89.04 130.36 35.51 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.745 177.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.7 t -79.1 117.28 24.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.128 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.52 HD11 ' HB2' ' A' ' 53' ' ' PHE . 85.1 mt -97.4 108.81 21.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.181 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -102.95 90.81 3.89 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 171.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.38 -81.42 0.57 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.948 0.404 . . . . 0.0 110.251 -173.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 32.3 m -86.55 -149.43 0.14 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 174.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.43 21.24 5.35 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.267 172.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.26 134.37 50.07 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -176.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.2 t -94.21 129.51 44.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.477 ' HB3' HD12 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -127.99 -177.13 4.01 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.439 -177.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.54 ' HB3' HD13 ' A' ' 41' ' ' LEU . 85.1 m-85 -131.37 126.49 35.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 111.196 -175.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.552 ' HB3' ' HB3' ' A' ' 42' ' ' GLN . 78.1 t80 -111.4 133.27 53.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.528 179.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 41.9 t -85.76 89.07 7.65 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -73.1 94.71 1.95 Allowed 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 173.79 -32.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.277 -174.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 130.93 45.2 0.16 Allowed Glycine 0 C--N 1.334 0.443 0 CA-C-N 115.461 -0.79 . . . . 0.0 113.481 176.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.576 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 30.4 m170 -131.51 -7.78 3.69 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 117.478 0.639 . . . . 0.0 111.845 177.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.52 -154.24 38.01 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.33 -0.938 . . . . 0.0 111.45 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.2 mp -75.02 140.85 43.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.922 0.391 . . . . 0.0 110.434 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.414 HG13 HD21 ' A' ' 41' ' ' LEU . 33.3 mm -101.89 139.16 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.086 0.469 . . . . 0.0 111.298 -175.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.81 147.04 52.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.302 179.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 63' ' ' LYS . 10.7 mptt -78.98 -17.15 55.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.915 0.388 . . . . 0.0 110.616 -177.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -89.45 -4.57 57.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.212 0.529 . . . . 0.0 110.035 173.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 65' ' ' ARG . 12.6 ttp180 -124.18 32.53 5.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.724 0.773 . . . . 0.0 109.668 -175.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.9 p -105.58 150.21 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.101 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -105.39 101.8 11.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.797 0.332 . . . . 0.0 110.168 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -87.26 112.31 21.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.737 0.303 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.4 m -107.4 145.71 14.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.919 0.39 . . . . 0.0 110.394 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.0 tt -86.72 122.5 30.71 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.827 -178.339 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.1 mt . . . . . 0 CA--C 1.52 -0.18 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . 0.476 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 37.8 m80 -112.71 156.79 22.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.886 0.374 . . . . 0.0 111.146 -177.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 8' ' ' CYS . 40.0 m -75.23 126.01 88.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.982 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.92 -46.31 34.59 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.747 2.298 . . . . 0.0 112.687 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -99.0 -59.73 1.67 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.38 0.61 . . . . 0.0 110.561 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 5' ' ' CYS . 8.6 p -86.55 61.56 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.503 -175.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -29.4 101.54 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.805 1.315 . . . . 0.0 113.514 -177.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.476 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 0.4 OUTLIER -169.45 -173.63 1.73 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.41 178.342 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.1 t -89.07 134.42 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.259 0.552 . . . . 0.0 111.868 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.423 HD21 HD12 ' A' ' 28' ' ' ILE . 83.3 mt -99.82 124.02 44.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.885 173.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -104.35 124.1 48.59 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -96.48 149.98 21.13 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.16 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -139.69 -72.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.859 0.361 . . . . 0.0 110.7 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -102.47 -71.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.651 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.36 9.52 0.51 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.501 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -119.25 150.48 40.02 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.568 ' HB3' ' HB ' ' A' ' 28' ' ' ILE . . . -92.54 115.54 28.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.265 0.555 . . . . 0.0 109.582 178.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 20' ' ' ARG . 16.8 mmm180 -97.4 114.59 26.44 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.165 -176.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.661 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 85.1 m -68.66 92.33 0.47 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 171.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -70.58 -24.39 62.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.619 -169.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 p -102.29 -58.63 1.84 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.217 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.661 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.2 OUTLIER -63.29 -43.73 97.05 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.701 -178.026 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.46 -45.47 1.2 Allowed Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.121 -1.038 . . . . 0.0 114.446 172.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.482 ' OE2' ' SG ' ' A' ' 21' ' ' CYS . 5.8 pm0 -58.65 162.76 3.68 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -171.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -100.0 140.77 33.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.676 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.568 ' HB ' ' HB3' ' A' ' 19' ' ' ALA . 64.8 mt -122.95 106.47 17.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.179 0.514 . . . . 0.0 110.261 174.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.53 129.5 38.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.024 175.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . 0.461 ' SD ' ' HB3' ' A' ' 68' ' ' PHE . 42.1 mtt -109.14 134.38 51.79 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.929 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.716 ' HZ3' HD11 ' A' ' 33' ' ' LEU . 42.8 tttm -82.95 102.12 11.5 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.239 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.7 98.82 4.87 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.008 -176.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.716 HD11 ' HZ3' ' A' ' 31' ' ' LYS . 87.0 mt -114.84 164.21 14.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.943 -177.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.506 ' HB2' HD21 ' A' ' 41' ' ' LEU . 41.5 t -93.57 118.09 67.44 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 172.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -64.99 -18.96 63.62 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.913 2.409 . . . . 0.0 113.444 -170.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.416 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 21.0 p30 -86.25 -14.93 42.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -177.105 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 38' ' ' HIS . 5.6 p -139.37 -6.98 1.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -175.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.453 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 10.5 m170 70.7 0.06 3.16 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.778 0.431 . . . . 0.0 111.864 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -91.39 149.5 39.68 Favored Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 121.206 -0.197 . . . . 0.0 110.629 -176.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.07 152.44 81.27 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 123.021 2.481 . . . . 0.0 112.723 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 34' ' ' CYS . 96.6 mt -92.21 132.68 36.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.623 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -76.34 128.69 35.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.971 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.9 t -81.56 111.05 17.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.3 mt -88.13 107.07 18.58 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -91.75 133.5 35.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.301 -175.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.79 14.98 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.468 176.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.1 t 70.38 -74.25 0.09 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.445 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.01 -32.61 65.91 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.895 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.12 147.12 50.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.4 p -138.56 138.6 42.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.493 ' HB3' HD22 ' A' ' 60' ' ' LEU . 2.7 m-20 -126.25 157.47 38.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.179 0.514 . . . . 0.0 111.693 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.471 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.9 m-85 -107.45 104.14 13.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.373 -0.831 . . . . 0.0 108.989 176.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -100.9 123.78 45.6 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.008 0.433 . . . . 0.0 111.273 -175.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.514 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 40.5 t -91.51 92.67 8.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.678 175.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.41 95.11 2.66 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 172.42 20.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.205 -1.362 . . . . 0.0 109.325 -173.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.75 26.27 58.97 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.107 -0.568 . . . . 0.0 113.383 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.514 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 53.1 m170 -114.38 -16.64 11.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.302 0.551 . . . . 0.0 111.255 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.68 -153.24 38.29 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.722 -0.751 . . . . 0.0 113.057 175.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.493 HD22 ' HB3' ' A' ' 51' ' ' ASP . 90.7 mt -81.61 122.57 27.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.72 0.295 . . . . 0.0 110.733 -178.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.2 mm -90.39 127.12 43.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.113 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.2 m -70.2 159.13 34.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.256 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -48.62 -53.37 18.78 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.633 -175.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -86.22 7.74 23.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.275 0.559 . . . . 0.0 111.136 -174.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.3 ttm105 -104.35 -7.02 20.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.287 0.565 . . . . 0.0 109.794 176.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.8 t -75.67 132.86 32.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.67 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -90.56 107.44 19.17 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.461 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 92.7 m-85 -96.27 104.2 16.14 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.535 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.424 HG23 ' HB3' ' A' ' 31' ' ' LYS . 27.2 m -109.4 176.54 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.123 176.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.4 mt -70.26 123.41 21.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.704 0.288 . . . . 0.0 110.617 178.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.677 -0.677 . . . . 0.0 110.355 178.579 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 mp . . . . . 0 C--O 1.234 0.285 0 CA-C-O 121.319 0.58 . . . . 0.0 111.933 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -116.31 162.41 17.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 173.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.1 m -73.89 122.46 87.62 Favored Pre-proline 0 C--N 1.323 -0.565 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.966 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -84.66 28.55 0.57 Allowed 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 123.073 2.515 . . . . 0.0 111.509 176.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -155.2 -73.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.981 -176.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.2 p -93.7 63.24 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.13 -0.941 . . . . 0.0 108.99 176.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -35.03 102.45 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 O-C-N 124.917 1.386 . . . . 0.0 113.654 -172.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.403 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 6.7 m80 -168.36 -167.73 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.463 -1.244 . . . . 0.0 107.849 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.5 p -82.97 147.02 6.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-O 120.791 0.329 . . . . 0.0 111.407 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.1 mt -119.29 119.05 32.91 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -111.37 79.3 1.19 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.26 0.553 . . . . 0.0 111.241 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.741 ' NE2' ' H ' ' A' ' 14' ' ' GLN . 0.7 OUTLIER -84.6 128.47 34.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.697 173.579 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.1 p30 -99.67 -39.4 8.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.346 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -160.2 -73.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.798 0.332 . . . . 0.0 110.847 176.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.19 -6.52 36.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.371 -0.919 . . . . 0.0 113.251 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -137.24 145.71 43.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.817 0.341 . . . . 0.0 110.641 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.546 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . . . -103.66 126.74 51.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.499 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.454 HH11 ' HD2' ' A' ' 20' ' ' ARG . 19.6 mtp180 -91.08 115.35 27.94 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -94.73 90.25 6.02 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.175 -175.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -70.88 152.37 43.76 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.024 -178.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.5 m 70.43 -47.08 0.63 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 124.043 0.839 . . . . 0.0 110.92 -174.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 10' ' ' HIS . 16.3 m -65.75 -41.38 92.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.045 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.31 -2.47 81.08 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.821 174.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -97.45 175.54 6.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.092 0.472 . . . . 0.0 110.953 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -128.91 137.97 51.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.439 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.545 ' HB ' ' HB3' ' A' ' 19' ' ' ALA . 63.2 mt -114.85 107.87 23.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -72.07 155.69 40.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.153 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 62.4 mtt -123.46 144.21 49.66 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.447 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.49 ' NZ ' ' HA ' ' A' ' 71' ' ' ALA . 17.0 mtmm -88.02 130.18 35.05 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.232 176.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.43 102.27 14.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.49 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 40' ' ' PRO . 82.9 mt -110.34 153.88 24.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.735 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.463 ' HB2' HD21 ' A' ' 41' ' ' LEU . 49.2 t -94.14 109.7 43.78 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.74 -26.43 73.25 Favored 'Trans proline' 0 N--CA 1.475 0.4 0 C-N-CA 123.295 2.663 . . . . 0.0 114.133 -169.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.8 p30 -75.87 -13.51 60.27 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 p -137.44 -8.47 1.71 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 50.2 t60 56.56 25.89 10.39 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.661 0.743 . . . . 0.0 110.39 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -104.5 149.94 37.95 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.293 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.414 ' HA ' HD23 ' A' ' 33' ' ' LEU . 24.3 Cg_exo -63.66 146.24 92.18 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.958 2.439 . . . . 0.0 113.09 -176.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.525 HD13 ' HB3' ' A' ' 52' ' ' TYR . 92.0 mt -86.92 141.56 28.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.627 176.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . 0.512 ' HB2' ' HB2' ' A' ' 55' ' ' GLN . 63.6 tt0 -89.34 108.57 19.71 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.243 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.7 t -76.17 99.61 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.594 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 61.2 mt -80.45 96.44 6.74 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 176.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -109.02 102.37 11.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -173.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -117.42 -175.15 2.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.631 176.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.1 m -71.52 107.36 4.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.779 0.323 . . . . 0.0 110.194 176.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.29 -44.63 2.79 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.822 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.07 117.79 34.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.008 0.432 . . . . 0.0 111.579 -174.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 88.4 t -125.9 116.79 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.659 176.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.458 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 49.0 m-20 -119.66 131.52 55.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.83 0.348 . . . . 0.0 111.604 -175.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.525 ' HB3' HD13 ' A' ' 41' ' ' LEU . 95.2 m-85 -88.53 99.3 12.19 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 171.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -100.98 133.67 45.12 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.033 -175.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.507 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 43.7 t -75.44 94.29 3.08 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 177.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.512 ' HB2' ' HB2' ' A' ' 42' ' ' GLN . 9.2 tt0 -72.77 94.76 1.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.718 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . 0.504 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 0.8 OUTLIER 169.25 -39.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -178.134 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.64 68.18 0.11 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.826 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.507 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 18.4 m170 -136.32 -53.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.023 0.439 . . . . 0.0 109.913 174.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.56 -154.29 25.7 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mp -91.97 142.23 27.77 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.7 mm -112.15 124.48 68.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.62 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.3 m -66.0 141.95 58.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.61 174.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.482 ' HA ' HG23 ' A' ' 66' ' ' VAL . 34.5 pttt -58.27 -28.38 64.9 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -173.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -71.61 -19.19 62.15 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.653 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -98.73 0.29 44.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.774 0.321 . . . . 0.0 110.678 -176.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.482 HG23 ' HA ' ' A' ' 63' ' ' LYS . 77.4 t -74.57 136.34 25.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.977 0.418 . . . . 0.0 110.695 -178.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -84.7 102.15 12.76 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 175.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.406 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 70.8 m-85 -95.77 116.05 28.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.942 -177.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.6 m -115.15 154.6 16.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 173.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.1 mt -68.64 146.01 53.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.871 0.367 . . . . 0.0 110.763 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.49 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.15 -0.928 . . . . 0.0 111.442 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.2 mt . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.997 0.427 . . . . 0.0 111.567 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -113.3 156.15 23.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.604 177.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.516 ' HB2' ' HA ' ' A' ' 9' ' ' GLN . 11.5 m -77.07 154.84 82.71 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.454 -174.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.415 ' HD3' HD11 ' A' ' 12' ' ' LEU . 16.0 Cg_exo -69.33 -51.55 0.41 Allowed 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.529 2.153 . . . . 0.0 111.401 172.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -98.71 -69.29 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.142 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.511 ' SG ' ' OE1' ' A' ' 26' ' ' GLU . 29.1 p -85.1 62.19 7.35 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.438 0.637 . . . . 0.0 109.706 -178.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.516 ' HA ' ' HB2' ' A' ' 5' ' ' CYS . 72.7 mt-30 -46.08 116.61 1.28 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.412 -1.267 . . . . 0.0 112.739 -177.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . 0.432 ' HB3' ' H ' ' A' ' 11' ' ' VAL . 25.4 t-80 -162.74 -85.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.287 171.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.432 ' H ' ' HB3' ' A' ' 10' ' ' HIS . 92.7 t -143.11 130.87 18.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 120.63 0.253 . . . . 0.0 110.526 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.417 HD11 ' HA ' ' A' ' 5' ' ' CYS . 33.5 mt -113.18 113.25 25.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.568 174.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.502 ' HB2' ' HD2' ' A' ' 22' ' ' ARG . 33.7 t70 -91.0 104.21 16.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.825 177.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 18' ' ' HIS . 8.5 tt0 -116.09 125.24 52.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.499 -178.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -126.46 -69.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.188 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -97.71 62.36 1.64 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.89 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.46 -41.01 1.58 Allowed Glycine 0 CA--C 1.52 0.397 0 CA-C-N 115.747 -0.66 . . . . 0.0 113.057 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.419 ' O ' ' HA ' ' A' ' 14' ' ' GLN . 41.7 m80 -81.1 140.77 34.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.703 0.287 . . . . 0.0 111.12 -177.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 13' ' ' ASP . . . -117.18 127.13 53.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.081 176.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -121.83 137.42 54.78 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.318 0.58 . . . . 0.0 110.222 177.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.63 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 47.9 m -79.14 102.82 8.68 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.277 176.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.502 ' HD2' ' HB2' ' A' ' 13' ' ' ASP . 9.4 ptm180 -76.43 44.63 0.35 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.704 177.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.6 t -174.36 -58.43 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.656 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.63 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -90.44 4.61 50.51 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.854 0.686 . . . . 0.0 112.854 -174.323 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.47 -39.9 2.83 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.781 -0.723 . . . . 0.0 114.222 171.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.608 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 13.0 tt0 -43.5 129.09 5.19 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.391 0.676 . . . . 0.0 111.972 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -125.35 115.78 20.86 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.407 HG21 HD22 ' A' ' 70' ' ' LEU . 42.9 mt -102.91 128.54 55.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.4 0.619 . . . . 0.0 112.027 -171.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -90.41 101.1 13.84 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 171.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 78.3 mtp -101.3 122.87 44.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -92.17 131.16 37.63 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.97 -172.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.91 106.4 13.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.038 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.6 mt -116.41 169.11 9.56 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.699 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.533 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 11.0 t -80.3 132.64 58.7 Favored Pre-proline 0 C--N 1.318 -0.761 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 177.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.408 ' HA ' ' HB2' ' A' ' 67' ' ' GLU . 17.8 Cg_endo -59.42 -38.89 81.13 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.902 2.401 . . . . 0.0 112.761 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.12 -80.02 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.148 -177.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.16 -16.62 62.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -174.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.533 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 17.1 m80 62.29 15.95 8.04 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.427 ' HA ' ' OE1' ' A' ' 39' ' ' GLN . 15.7 mm-40 -84.84 149.63 54.08 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 174.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.86 133.8 60.26 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.911 2.407 . . . . 0.0 112.568 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.484 HD13 ' HB3' ' A' ' 52' ' ' TYR . 97.7 mt -84.57 151.71 24.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.456 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -83.57 111.83 19.45 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.0 t -75.78 108.67 8.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.42 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' A' ' 53' ' ' PHE . 59.2 mt -92.83 85.78 5.29 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.289 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -100.14 110.64 22.92 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.047 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.24 -167.68 1.41 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.109 177.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.9 p -73.31 95.44 2.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.249 0.547 . . . . 0.0 110.604 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.07 -59.51 0.38 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.651 178.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -106.89 155.39 19.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.099 0.476 . . . . 0.0 111.968 -173.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.1 p -133.32 138.62 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.075 178.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -129.92 175.0 9.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.694 0.283 . . . . 0.0 110.496 -178.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.484 ' HB3' HD13 ' A' ' 41' ' ' LEU . 88.1 m-85 -129.31 116.72 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.813 0.339 . . . . 0.0 110.27 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.453 ' HB2' HD11 ' A' ' 44' ' ' LEU . 61.4 t80 -113.67 124.14 51.59 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.276 -174.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 40.5 t -92.75 89.17 6.53 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -78.95 94.52 5.26 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -176.48 -34.65 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -174.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 142.73 42.67 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.113 -0.948 . . . . 0.0 112.433 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 36.2 m80 -136.67 -17.57 1.46 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.981 0.39 . . . . 0.0 111.128 177.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.04 -146.62 36.75 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.948 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.0 131.82 41.77 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.1 mm -93.03 129.03 44.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.796 -176.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 t -56.75 124.47 18.54 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.837 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -74.4 3.13 7.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.238 -171.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.841 ' HE2' ' HA ' ' A' ' 64' ' ' LYS . 9.6 mmpt? -100.22 -7.22 24.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.163 0.506 . . . . 0.0 110.09 172.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -113.1 -10.73 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.172 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.6 p -54.81 143.2 7.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.442 0 CA-C-O 121.057 0.456 . . . . 0.0 111.38 -176.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 35' ' ' PRO . 5.2 tp10 -93.02 102.01 14.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.541 -176.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -92.45 108.11 19.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.803 0.335 . . . . 0.0 110.443 176.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 m -101.45 162.38 3.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.318 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.407 HD22 HG21 ' A' ' 28' ' ' ILE . 66.3 mt -90.43 126.87 36.04 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.692 -0.67 . . . . 0.0 110.649 177.326 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 mp . . . . . 0 C--O 1.232 0.165 0 N-CA-C 109.697 -0.483 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -101.02 146.18 27.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.018 0.437 . . . . 0.0 110.289 -177.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 3.3 m -80.29 140.81 52.87 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.566 -176.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 8.6 Cg_exo -73.16 0.4 7.96 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.88 2.387 . . . . 0.0 112.181 177.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -131.61 -77.01 0.51 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.877 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.474 ' HB2' ' HB2' ' A' ' 24' ' ' CYS . 26.9 p -84.34 63.05 7.56 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.768 177.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 5' ' ' CYS . 91.6 mt-30 -45.61 107.09 0.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.374 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -171.99 -78.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.859 174.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.9 t -138.68 132.56 40.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.034 0.445 . . . . 0.0 111.83 -176.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.7 mt -112.89 104.05 12.04 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 167.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -101.12 114.97 29.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -177.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -82.71 117.44 22.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.587 -173.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -63.39 -60.17 3.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.069 173.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -156.12 -44.8 0.08 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.284 173.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.09 -32.38 0.12 Allowed Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 172.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.432 ' HD2' ' HA ' ' A' ' 29' ' ' GLU . 28.2 t-80 -77.05 136.5 38.67 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 172.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.87 134.0 41.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.17 0.509 . . . . 0.0 111.391 -177.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -116.53 118.96 34.1 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 175.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.698 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 20.5 m -78.86 90.9 4.71 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.309 0.576 . . . . 0.0 112.022 -177.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -56.92 119.83 6.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.366 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.8 t 75.46 -38.36 0.36 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.685 0.794 . . . . 0.0 112.707 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' CYS . . . . . 0.698 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 7.6 p -87.3 -0.33 56.58 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.456 -0.497 . . . . 0.0 111.915 -177.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.18 -68.09 3.62 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 115.302 0.881 . . . . 0.0 115.302 165.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -43.61 117.26 1.11 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -168.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -82.15 124.64 30.05 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 175.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.4 mt -124.18 121.17 61.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.065 0.459 . . . . 0.0 111.169 -174.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.447 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . 9.2 tp10 -83.07 143.19 30.74 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.4 mtt -132.46 141.99 49.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.383 0.611 . . . . 0.0 111.365 -177.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.459 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 43.1 mmtm -96.56 123.41 40.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.286 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.68 94.63 5.75 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.151 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.4 mt -99.26 145.52 27.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.03 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.487 ' SG ' ' OD1' ' A' ' 36' ' ' ASP . 36.7 t -81.08 115.69 57.76 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 170.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -60.35 -28.8 87.51 Favored 'Trans proline' 0 N--CA 1.471 0.164 0 C-N-CA 122.843 2.362 . . . . 0.0 112.466 -171.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.487 ' OD1' ' SG ' ' A' ' 34' ' ' CYS . 1.2 p30 -89.88 1.84 55.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.782 -178.012 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.2 m -129.27 -27.82 2.41 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.0 t60 69.12 8.34 6.77 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.565 0.698 . . . . 0.0 109.672 -174.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -107.23 143.08 26.44 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.309 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -57.21 152.78 43.34 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.647 2.231 . . . . 0.0 112.723 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 52' ' ' TYR . 99.2 mt -89.93 150.62 22.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.67 178.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -82.18 115.72 21.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.912 176.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.4 t -74.65 110.29 8.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.982 176.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.538 HD12 ' HB3' ' A' ' 51' ' ' ASP . 87.7 mt -79.58 102.79 9.07 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 177.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -102.99 110.44 22.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.29 -176.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.483 ' HB3' ' HB3' ' A' ' 49' ' ' ALA . . . -119.02 -165.36 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.9 m -57.49 -54.28 48.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.063 0.458 . . . . 0.0 111.002 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -137.92 24.73 2.98 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.386 -0.685 . . . . 0.0 111.386 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.483 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . . . -127.09 129.56 48.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.713 0.292 . . . . 0.0 110.693 -177.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 57.7 t -127.15 123.23 61.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.538 ' HB3' HD12 ' A' ' 44' ' ' LEU . 1.5 t70 -137.6 177.49 7.83 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.881 -0.327 . . . . 0.0 111.07 -176.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' TYR . . . . . 0.457 ' HB3' HD13 ' A' ' 41' ' ' LEU . 68.8 m-85 -127.93 107.66 10.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.516 -175.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -103.94 135.26 45.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.988 0.423 . . . . 0.0 110.999 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' CYS . . . . . 0.545 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 36.5 t -93.29 94.68 8.9 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.989 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -70.67 94.81 1.04 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 174.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 171.48 -29.46 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.557 -1.201 . . . . 0.0 108.91 -177.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.27 48.21 0.32 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.879 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' HIS . . . . . 0.545 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 34.8 m170 -128.39 -2.9 5.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.972 0.386 . . . . 0.0 110.64 175.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.07 -144.02 29.32 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.281 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.0 mt -88.3 135.95 33.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.858 0.361 . . . . 0.0 110.758 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.6 mm -100.01 130.05 49.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.761 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.9 t -58.8 147.85 31.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.37 175.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -65.47 -18.11 65.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.075 0.464 . . . . 0.0 110.896 -176.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -89.55 -17.85 27.76 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -93.62 13.58 21.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.738 -178.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.44 127.41 45.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.517 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -85.81 107.6 17.72 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -91.69 108.32 19.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.649 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 31' ' ' LYS . 34.8 m -105.1 149.5 8.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.173 175.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.2 mp -73.67 136.34 43.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.414 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.447 ' HB3' ' HB3' ' A' ' 29' ' ' GLU . . . . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.357 178.626 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.3 mmt . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 109.795 -0.446 . . . . 0.0 109.795 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 63.49 -167.21 0.22 Allowed 'General case' 0 C--O 1.233 0.21 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.923 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.3 mt -101.04 143.25 31.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.771 0.32 . . . . 0.0 110.241 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.469 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 36.8 m170 -113.49 157.07 22.46 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.487 -179.398 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.4 m -74.52 142.0 77.2 Favored Pre-proline 0 C--N 1.321 -0.667 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.023 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -85.66 31.12 0.48 Allowed 'Trans proline' 0 CA--C 1.531 0.374 0 C-N-CA 122.937 2.424 . . . . 0.0 111.927 174.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -161.07 -75.19 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.671 -177.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.6 p -89.13 63.03 6.46 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 174.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 69.2 mt-30 -46.78 101.49 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 114.123 -1.399 . . . . 0.0 113.435 -172.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.493 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 4.1 m-70 -162.23 -172.12 3.08 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 114.588 -1.187 . . . . 0.0 107.834 173.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.0 t -72.6 137.35 23.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-O 121.152 0.501 . . . . 0.0 111.717 -177.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 97.5 mt -94.93 117.12 29.61 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.011 173.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.475 ' HB2' ' HD2' ' A' ' 22' ' ' ARG . 18.0 t70 -83.83 97.49 9.22 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 178.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 96.4 mt-30 -102.3 130.16 48.94 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.408 0.623 . . . . 0.0 112.374 -170.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -128.11 -153.73 0.59 Allowed 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 107.762 -1.199 . . . . 0.0 107.762 174.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -66.3 101.81 0.78 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.64 0.734 . . . . 0.0 111.27 -177.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 65.02 11.45 51.41 Favored Glycine 0 C--N 1.334 0.45 0 CA-C-N 115.338 -0.846 . . . . 0.0 113.696 175.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 72.9 m80 -136.93 139.64 41.69 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 122.407 -0.466 . . . . 0.0 111.025 -175.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -135.41 102.77 5.25 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.693 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.532 ' HG2' ' HD1' ' A' ' 27' ' ' PHE . 18.6 mtp180 -92.78 133.35 36.13 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 121.258 0.551 . . . . 0.0 109.719 176.389 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.991 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 15.7 m -72.64 97.95 2.26 Favored 'General case' 0 C--N 1.31 -1.141 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.543 178.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.475 ' HD2' ' HB2' ' A' ' 13' ' ' ASP . 11.5 ptm180 -71.04 139.09 50.33 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 171.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.2 m 74.22 -15.9 0.57 Allowed 'General case' 0 CA--C 1.538 0.515 0 O-C-N 123.827 0.705 . . . . 0.0 111.817 -176.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.991 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 27.1 m -93.74 -53.9 3.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.139 0.495 . . . . 0.0 110.132 172.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.26 -20.92 29.83 Favored Glycine 0 C--N 1.334 0.461 0 CA-C-N 115.694 -0.684 . . . . 0.0 111.581 -174.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.39 154.15 40.88 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 122.963 0.505 . . . . 0.0 111.753 -177.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.532 ' HD1' ' HG2' ' A' ' 20' ' ' ARG . 59.7 t80 -119.63 126.0 50.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.225 177.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 68.2 mt -127.16 138.52 54.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 121.066 0.46 . . . . 0.0 110.602 179.603 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -112.39 147.8 35.66 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 79.3 mtp -125.46 149.74 47.97 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.858 0.361 . . . . 0.0 110.952 -174.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.662 ' HG3' ' HB2' ' A' ' 71' ' ' ALA . 94.8 mttt -93.13 139.56 30.44 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.894 -177.449 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.504 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -93.98 101.3 13.35 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.204 176.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 65.6 mt -107.39 146.97 30.97 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.957 0.408 . . . . 0.0 110.85 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.518 ' HB2' HD21 ' A' ' 41' ' ' LEU . 53.2 t -77.13 121.9 85.39 Favored Pre-proline 0 C--N 1.325 -0.484 0 N-CA-C 108.852 -0.796 . . . . 0.0 108.852 173.011 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -49.75 -40.53 47.47 Favored 'Trans proline' 0 N--CA 1.475 0.413 0 C-N-CA 122.868 2.379 . . . . 0.0 113.311 -176.123 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -86.96 2.59 48.91 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.136 -176.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.493 ' HB2' ' HB3' ' A' ' 34' ' ' CYS . 82.1 m -123.7 -42.57 2.19 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.714 0.292 . . . . 0.0 111.375 -179.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 23.7 m80 67.58 14.38 9.54 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.481 -171.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.2 mm-40 -104.62 154.25 38.62 Favored Pre-proline 0 N--CA 1.45 -0.448 0 CA-C-N 115.254 -0.885 . . . . 0.0 108.738 172.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_endo -62.42 146.82 95.61 Favored 'Trans proline' 0 C--O 1.233 0.247 0 C-N-CA 122.797 2.332 . . . . 0.0 113.189 -177.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.518 HD21 ' HB2' ' A' ' 34' ' ' CYS . 90.0 mt -85.12 150.75 24.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.574 176.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 55.5 tp60 -80.95 112.84 18.71 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.614 177.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.8 t -75.6 100.26 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.628 -178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.524 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 50.8 mt -84.88 105.8 15.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.78 179.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 54.3 mtmt -97.33 113.87 25.57 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.003 0.43 . . . . 0.0 111.158 -175.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.58 31.27 5.92 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.904 176.326 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.5 t 71.62 -70.82 0.15 Allowed 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.995 -178.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -83.33 -45.78 6.4 Favored Glycine 0 N--CA 1.446 -0.655 0 C-N-CA 120.646 -0.788 . . . . 0.0 112.189 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.01 147.81 26.95 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.801 0.334 . . . . 0.0 110.652 179.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 69.7 t -129.67 122.01 54.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 116.092 -0.504 . . . . 0.0 109.809 177.241 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.524 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 42.1 m-20 -103.02 149.79 24.21 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.939 -0.393 . . . . 0.0 109.939 179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.547 ' HB2' ' O ' ' A' ' 61' ' ' ILE . 88.0 m-85 -111.79 107.13 16.09 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 177.376 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.469 ' HB2' HD11 ' A' ' 44' ' ' LEU . 73.0 t80 -101.29 131.94 47.06 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.914 -174.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.595 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 28.9 t -75.53 92.74 2.92 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.29 177.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -71.69 94.6 1.37 Allowed 'General case' 0 N--CA 1.45 -0.446 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 177.015 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 169.49 -34.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.112 -176.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.07 58.14 0.24 Allowed Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.583 -0.818 . . . . 0.0 113.161 177.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.595 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 27.2 m170 -131.76 -27.23 1.92 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.98 0.39 . . . . 0.0 111.36 176.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 119.98 -154.05 16.57 Favored Glycine 0 N--CA 1.449 -0.469 0 C-N-CA 120.589 -0.815 . . . . 0.0 112.044 -179.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.9 mp -95.4 139.87 31.08 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.935 0.398 . . . . 0.0 110.662 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.547 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 50.2 mm -120.77 129.01 76.11 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.889 -0.596 . . . . 0.0 109.819 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.0 t -81.63 159.85 23.91 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.902 0.382 . . . . 0.0 110.266 178.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -71.81 -3.7 23.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.589 -178.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -97.64 0.06 46.55 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.916 0.388 . . . . 0.0 110.927 174.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 50.7 ttm-85 -120.82 -22.11 6.38 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.158 0.504 . . . . 0.0 110.4 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.504 HG21 ' HB1' ' A' ' 32' ' ' ALA . 14.9 p -64.09 154.17 6.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.493 -0.776 . . . . 0.0 111.415 -178.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -103.33 113.07 26.27 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.52 ' HA ' ' O ' ' A' ' 31' ' ' LYS . 45.3 m-85 -92.99 121.34 34.23 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.765 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 33.6 m -113.01 163.43 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.494 177.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -72.16 122.81 21.65 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.149 -178.455 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.662 ' HB2' ' HG3' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.563 -0.732 . . . . 0.0 110.616 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.2 ttt . . . . . 0 N--CA 1.479 1.017 0 CA-C-O 120.72 0.295 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -109.69 155.57 21.36 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.097 0.475 . . . . 0.0 111.329 -178.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.544 ' HG ' HD12 ' A' ' 12' ' ' LEU . 48.6 tp -113.86 118.1 33.28 Favored 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 108.18 -1.045 . . . . 0.0 108.18 169.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -98.99 149.22 23.2 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.585 0.231 . . . . 0.0 110.557 -174.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.415 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 1.2 p -81.13 118.27 71.63 Favored Pre-proline 0 C--O 1.222 -0.382 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.928 -176.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 79.6 Cg_exo -45.56 -50.26 9.57 Favored 'Trans proline' 0 N--CA 1.476 0.467 0 C-N-CA 124.103 3.202 . . . . 0.0 115.096 -170.095 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -77.72 -51.26 10.85 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.154 0.502 . . . . 0.0 111.976 -172.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.66 -34.32 17.27 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.247 -172.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.465 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 14.9 mm-40 64.71 104.18 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 123.837 0.855 . . . . 0.0 113.286 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 47.9 t-80 -171.79 -71.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.197 170.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -169.3 148.14 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.243 178.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.544 HD12 ' HG ' ' A' ' 3' ' ' LEU . 46.2 mt -108.66 129.21 55.34 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.06 175.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -105.86 87.73 2.65 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.197 0.522 . . . . 0.0 109.847 179.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.416 ' OE1' ' HB3' ' A' ' 12' ' ' LEU . 3.0 pm0 -104.3 120.71 41.79 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.214 178.261 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -153.01 -42.23 0.1 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.344 -178.052 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -73.14 -41.64 63.72 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.313 -0.858 . . . . 0.0 111.349 177.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 146.57 -18.29 1.66 Allowed Glycine 0 N--CA 1.45 -0.386 0 N-CA-C 110.868 -0.893 . . . . 0.0 110.868 -174.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -106.81 156.37 18.74 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 109.277 -0.638 . . . . 0.0 109.277 172.264 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.546 ' HB3' ' HB ' ' A' ' 28' ' ' ILE . . . -92.02 101.26 13.8 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.0 ttp180 -93.76 115.09 27.49 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.8 -174.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.731 ' HB2' ' HG2' ' A' ' 26' ' ' GLU . 57.0 m -79.51 92.59 5.3 Favored 'General case' 0 C--N 1.316 -0.883 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 172.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -54.38 -52.66 60.97 Favored 'General case' 0 C--N 1.328 -0.338 0 O-C-N 123.382 0.426 . . . . 0.0 111.449 -178.226 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 41.4 p -68.27 -38.56 81.86 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.008 0.432 . . . . 0.0 111.772 -176.812 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.651 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 2.7 m -78.64 -36.51 43.83 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.126 -174.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.23 15.78 60.11 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 121.055 -0.593 . . . . 0.0 111.998 -177.37 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.731 ' HG2' ' HB2' ' A' ' 21' ' ' CYS . 2.5 pt-20 -103.36 157.31 17.12 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.918 -0.401 . . . . 0.0 109.918 -178.245 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -120.95 118.16 29.16 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.368 177.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.546 ' HB ' ' HB3' ' A' ' 19' ' ' ALA . 65.8 mt -106.8 134.99 46.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.204 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -80.65 145.16 31.79 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.339 178.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.473 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 79.8 mtp -115.11 114.59 25.52 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.177 0.513 . . . . 0.0 109.628 177.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.42 ' HE2' HD21 ' A' ' 33' ' ' LEU . 86.7 tttt -87.61 115.94 25.39 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.474 -175.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.34 103.33 3.98 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.855 179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.42 HD21 ' HE2' ' A' ' 31' ' ' LYS . 81.4 mt -104.95 143.84 32.62 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.884 178.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.497 ' HB2' HD21 ' A' ' 41' ' ' LEU . 41.9 t -84.69 108.81 16.29 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.427 174.264 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 82.3 Cg_exo -48.1 -37.03 29.85 Favored 'Trans proline' 0 N--CA 1.474 0.382 0 C-N-CA 123.541 2.827 . . . . 0.0 114.2 -171.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.7 p30 -66.07 -22.96 66.44 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 -175.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.5 p -129.65 -15.33 3.98 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -177.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.2 m80 60.59 26.15 15.84 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 121.189 0.519 . . . . 0.0 110.814 -176.009 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.761 ' HG3' ' HD2' ' A' ' 40' ' ' PRO . 1.4 tp-100 -108.86 147.68 36.33 Favored Pre-proline 0 N--CA 1.45 -0.449 0 CA-C-N 115.416 -0.811 . . . . 0.0 108.863 178.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.761 ' HD2' ' HG3' ' A' ' 39' ' ' GLN . 12.6 Cg_endo -55.81 141.81 84.49 Favored 'Trans proline' 0 C--N 1.348 0.513 0 C-N-CA 123.197 2.598 . . . . 0.0 113.551 -176.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.536 HD13 ' HB3' ' A' ' 52' ' ' TYR . 52.0 mt -91.3 151.36 20.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.242 -0.89 . . . . 0.0 110.936 177.635 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 5.8 tp60 -88.55 123.95 33.54 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.195 -0.457 . . . . 0.0 109.86 175.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.3 t -83.58 104.01 11.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.677 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.51 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 79.2 mt -89.08 90.11 8.25 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.078 177.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -79.24 88.82 4.9 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 175.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -89.03 74.73 8.07 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.392 -172.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.4 m 61.2 17.88 8.59 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 115.45 -0.796 . . . . 0.0 112.455 170.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 141.86 -31.29 2.11 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.669 -178.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.22 163.68 13.53 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 89.1 t -133.89 112.32 16.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.472 179.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.51 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 45.9 m-20 -104.01 139.47 39.08 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 176.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.536 ' HB3' HD13 ' A' ' 41' ' ' LEU . 86.7 m-85 -99.69 104.28 16.01 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-O 121.165 0.507 . . . . 0.0 109.864 176.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -101.14 123.44 45.3 Favored 'General case' 0 C--N 1.317 -0.839 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.338 -175.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.414 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 42.2 t -89.56 89.87 8.02 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.352 -0.385 . . . . 0.0 109.99 179.102 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 74.4 mt-30 -65.2 94.52 0.16 Allowed 'General case' 0 CA--C 1.515 -0.382 0 CA-C-N 116.055 -0.52 . . . . 0.0 109.813 176.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 5.3 m-70 174.78 -22.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.58 1.175 . . . . 0.0 108.788 -173.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 107.77 50.03 0.81 Allowed Glycine 0 N--CA 1.446 -0.673 0 CA-C-N 115.581 -0.736 . . . . 0.0 112.407 -179.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.414 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 37.9 m170 -126.77 -11.07 6.1 Favored 'General case' 0 C--N 1.33 -0.268 0 O-C-N 122.694 -0.297 . . . . 0.0 110.62 176.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.15 -149.94 21.08 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.826 178.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.4 mt -96.45 127.82 42.8 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.211 0.529 . . . . 0.0 110.749 -178.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.449 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 50.6 mm -99.5 119.78 47.98 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.009 179.3 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.1 m -65.16 152.33 43.88 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.639 179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.4 mtmt -59.15 -28.32 66.46 Favored 'General case' 0 C--N 1.331 -0.223 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -175.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 54.8 mtmt -79.11 -0.3 31.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.625 0.25 . . . . 0.0 111.589 179.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 75.8 mtt-85 -120.98 12.4 11.19 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.3 t -92.68 126.18 45.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 C-N-CA 121.039 -0.264 . . . . 0.0 110.347 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -93.75 102.81 14.96 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.695 -0.484 . . . . 0.0 109.695 178.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.473 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 98.8 m-85 -87.05 111.95 21.39 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.386 178.498 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 28.8 m -100.66 159.25 3.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.359 178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.6 mt -79.97 120.79 24.64 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.749 0.309 . . . . 0.0 110.501 -179.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.76 -0.638 . . . . 0.0 110.773 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 tpt . . . . . 0 N--CA 1.484 1.237 0 CA-C-O 120.627 0.251 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.0 tm-20 -159.97 101.24 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 -175.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.0 mp -102.7 155.32 18.39 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.972 0.415 . . . . 0.0 111.353 -172.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.9 m170 -128.18 160.29 32.52 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.233 177.393 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.428 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 2.0 m -74.53 132.15 78.89 Favored Pre-proline 0 C--N 1.324 -0.523 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.346 178.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.428 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 43.8 Cg_exo -56.44 -49.96 13.4 Favored 'Trans proline' 0 CA--C 1.531 0.345 0 C-N-CA 122.742 2.295 . . . . 0.0 112.58 -178.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -96.13 -61.67 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.025 -179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 31.2 p -81.89 60.8 4.92 Favored 'General case' 0 C--O 1.24 0.595 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 -178.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 56.5 mm-40 -36.63 113.69 0.25 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 114.573 -1.194 . . . . 0.0 112.906 -177.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -176.76 178.24 1.25 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 114.148 -1.387 . . . . 0.0 108.002 178.739 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.636 HG13 ' HB3' ' A' ' 22' ' ' ARG . 7.7 p -68.6 133.29 32.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-O 121.267 0.556 . . . . 0.0 111.696 -179.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 21' ' ' CYS . 7.7 mt -119.25 93.94 4.26 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.269 174.102 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -98.95 144.18 28.42 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.355 0.598 . . . . 0.0 110.771 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -115.23 126.38 54.48 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.392 -0.822 . . . . 0.0 110.581 -175.659 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -109.97 -58.17 2.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.23 0.538 . . . . 0.0 110.527 179.592 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -133.43 -151.65 0.45 Allowed 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.213 -179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -59.1 -21.37 52.98 Favored Glycine 0 C--N 1.332 0.324 0 C-N-CA 120.869 -0.681 . . . . 0.0 111.701 176.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 67.6 m80 -98.48 115.53 28.74 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 110.162 -0.31 . . . . 0.0 110.162 174.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.91 132.31 36.58 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.009 -0.737 . . . . 0.0 109.009 173.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.409 HH11 ' HD2' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -91.42 116.51 28.9 Favored 'General case' 0 C--N 1.315 -0.893 0 C-N-CA 120.502 -0.479 . . . . 0.0 110.301 -174.492 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.438 ' HA ' HD23 ' A' ' 12' ' ' LEU . 11.0 t -79.29 89.66 4.94 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 107.367 -1.346 . . . . 0.0 107.367 173.379 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.636 ' HB3' HG13 ' A' ' 11' ' ' VAL . 15.1 ttp85 -83.82 146.41 28.14 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.415 -0.811 . . . . 0.0 111.182 -166.063 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 39.1 m 72.78 -13.3 0.68 Allowed 'General case' 0 N--CA 1.466 0.325 0 CA-C-N 115.16 -0.927 . . . . 0.0 110.923 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.433 ' H ' ' C ' ' A' ' 22' ' ' ARG . 59.4 m -94.12 -24.61 17.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.815 175.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.64 -10.39 74.79 Favored Glycine 0 C--N 1.331 0.268 0 C-N-CA 121.064 -0.589 . . . . 0.0 112.713 177.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.9 mm-40 -98.4 175.67 5.96 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 120.803 0.335 . . . . 0.0 110.732 -177.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 26.3 p90 -140.51 152.35 45.51 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 175.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.569 HG21 HD22 ' A' ' 70' ' ' LEU . 61.6 mt -128.27 116.15 40.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 N-CA-C 110.182 -0.303 . . . . 0.0 110.182 -179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -80.56 140.91 35.56 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 176.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 34.3 mtp -101.77 137.88 39.49 Favored 'General case' 0 C--N 1.317 -0.823 0 CA-C-O 120.808 0.337 . . . . 0.0 110.099 -177.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 60.4 tttm -95.18 128.04 41.7 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.175 -0.466 . . . . 0.0 109.78 -178.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -91.51 111.01 22.34 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -173.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.452 HD23 ' HA ' ' A' ' 40' ' ' PRO . 85.0 mt -119.39 161.57 20.28 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.748 178.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.527 ' HB2' HD21 ' A' ' 41' ' ' LEU . 50.8 t -99.73 114.54 65.69 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 173.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.526 ' HG3' ' HB2' ' A' ' 67' ' ' GLU . 52.3 Cg_exo -54.25 -28.33 51.85 Favored 'Trans proline' 0 N--CA 1.476 0.46 0 C-N-CA 123.291 2.661 . . . . 0.0 114.018 -171.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -76.34 -21.75 55.77 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 111.668 0.247 . . . . 0.0 111.668 -174.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.715 ' SG ' ' HG2' ' A' ' 39' ' ' GLN . 1.8 p -133.43 -16.55 2.37 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 -176.168 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 86.6 m-70 71.12 2.23 4.15 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.609 0.764 . . . . 0.0 112.304 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.715 ' HG2' ' SG ' ' A' ' 37' ' ' CYS . 3.9 pt20 -76.06 158.51 82.1 Favored Pre-proline 0 C--O 1.238 0.495 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 174.164 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.452 ' HA ' HD23 ' A' ' 33' ' ' LEU . 22.3 Cg_exo -66.38 151.79 82.41 Favored 'Trans proline' 0 C--O 1.233 0.251 0 C-N-CA 122.854 2.37 . . . . 0.0 112.296 177.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.534 HD13 ' HB3' ' A' ' 52' ' ' TYR . 70.7 mt -92.66 142.57 27.22 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.604 176.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -85.26 106.3 16.57 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 175.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.4 t -79.31 110.63 15.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.755 -175.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.547 ' HB2' ' HB3' ' A' ' 51' ' ' ASP . 38.8 mt -91.34 135.87 33.51 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.439 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -109.96 98.09 7.46 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 177.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.12 -162.14 0.88 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.735 -176.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.2 t -73.68 87.14 1.67 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.947 0.403 . . . . 0.0 110.216 -177.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.44 8.79 81.01 Favored Glycine 0 N--CA 1.451 -0.319 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.432 179.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.98 138.04 53.2 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.957 0.408 . . . . 0.0 111.385 -176.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 62.3 t -108.03 112.34 39.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 173.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.547 ' HB3' ' HB2' ' A' ' 44' ' ' LEU . 30.8 t0 -109.72 123.01 48.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.808 0.337 . . . . 0.0 110.356 -171.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.534 ' HB3' HD13 ' A' ' 41' ' ' LEU . 80.8 m-85 -93.03 103.74 16.02 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.005 0.431 . . . . 0.0 109.922 -178.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 24.5 t80 -105.88 115.86 30.95 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.774 -174.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 42.6 t -91.19 89.59 7.41 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -78.53 94.73 5.02 Favored 'General case' 0 N--CA 1.451 -0.407 0 CA-C-N 115.849 -0.614 . . . . 0.0 109.814 -178.408 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -177.49 24.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.034 -0.984 . . . . 0.0 108.43 -175.483 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.97 44.37 61.78 Favored Glycine 0 N--CA 1.45 -0.393 0 CA-C-N 115.184 -0.916 . . . . 0.0 112.69 -176.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 67.7 m170 -122.03 -65.86 1.08 Allowed 'General case' 0 N--CA 1.464 0.245 0 CA-C-N 117.077 0.438 . . . . 0.0 110.914 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 140.02 -160.36 26.23 Favored Glycine 0 N--CA 1.449 -0.464 0 C-N-CA 120.537 -0.84 . . . . 0.0 112.422 178.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 97.2 mt -91.19 140.71 29.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.057 0.456 . . . . 0.0 111.218 -178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.485 ' O ' ' HB2' ' A' ' 52' ' ' TYR . 42.9 mm -114.34 130.26 68.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.16 -178.093 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.469 ' O ' HG23 ' A' ' 66' ' ' VAL . 25.8 t -83.53 161.76 21.11 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 110.129 -0.322 . . . . 0.0 110.129 177.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.531 ' HB2' ' HZ3' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -48.5 -44.92 36.37 Favored 'General case' 0 N--CA 1.467 0.391 0 C-N-CA 123.267 0.627 . . . . 0.0 112.366 -176.052 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -75.16 -22.28 58.19 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 112.079 0.399 . . . . 0.0 112.079 -174.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 34.0 ttm180 -85.61 -20.1 30.02 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.689 0.281 . . . . 0.0 110.692 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.469 HG23 ' O ' ' A' ' 62' ' ' SER . 55.8 t -61.83 134.16 27.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.85 0.357 . . . . 0.0 111.289 -178.143 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.526 ' HB2' ' HG3' ' A' ' 35' ' ' PRO . 34.4 tt0 -84.45 105.93 15.65 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.357 -0.608 . . . . 0.0 109.357 176.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 77.7 m-85 -99.64 116.53 31.97 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.364 -177.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.414 ' CG2' ' HB3' ' A' ' 31' ' ' LYS . 28.8 m -108.68 166.58 4.43 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 172.63 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.569 HD22 HG21 ' A' ' 28' ' ' ILE . 78.5 mt -82.48 123.6 29.31 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.626 0.251 . . . . 0.0 110.887 -175.672 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.778 -0.629 . . . . 0.0 110.423 177.596 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.9 ttp . . . . . 0 N--CA 1.479 0.987 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -59.72 139.11 57.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.793 178.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.549 HD13 HE21 ' A' ' 14' ' ' GLN . 71.0 mt -76.98 127.18 32.23 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.81 -175.619 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.505 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 47.1 m80 -126.2 160.09 31.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.535 -179.487 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.588 ' SG ' ' HG ' ' A' ' 12' ' ' LEU . 33.6 m -74.44 129.23 84.44 Favored Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.09 -0.505 . . . . 0.0 109.807 175.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 23.8 Cg_exo -64.71 -30.82 59.51 Favored 'Trans proline' 0 C--O 1.232 0.207 0 C-N-CA 122.515 2.143 . . . . 0.0 112.07 178.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -102.7 -68.47 0.83 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.708 -178.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 9.0 p -87.33 62.74 7.37 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.962 -0.563 . . . . 0.0 109.689 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -36.43 107.97 0.07 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 114.222 -1.354 . . . . 0.0 113.776 -174.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.505 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 1.5 t-160 -174.89 -165.96 0.21 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 177.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 73.5 t -79.58 136.51 23.43 Favored 'Isoleucine or valine' 0 C--O 1.237 0.444 0 CA-C-N 118.614 0.643 . . . . 0.0 112.187 -174.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.588 ' HG ' ' SG ' ' A' ' 5' ' ' CYS . 6.4 mt -123.16 140.05 53.43 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.383 177.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -121.17 104.8 10.02 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 171.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.549 HE21 HD13 ' A' ' 3' ' ' LEU . 22.1 pt20 -118.51 137.84 52.93 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.103 -0.498 . . . . 0.0 112.024 -170.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 14' ' ' GLN . 2.3 t70 172.71 -168.17 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 175.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 11.6 p30 59.97 -46.29 0.09 Allowed 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 125.65 1.58 . . . . 0.0 114.924 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 156.78 -29.28 0.54 Allowed Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.256 -177.547 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 5.4 p80 -136.85 139.54 41.76 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 174.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -116.11 124.85 51.39 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.891 0.377 . . . . 0.0 111.099 -175.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.0 ttt-85 -105.65 134.79 48.2 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.214 -0.662 . . . . 0.0 109.214 175.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.624 ' CB ' ' HB2' ' A' ' 24' ' ' CYS . 61.7 m -62.97 122.85 17.04 Favored 'General case' 0 C--N 1.318 -0.799 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.331 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -62.79 -50.4 71.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.642 -177.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.08 0.36 23.47 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -174.17 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.624 ' HB2' ' CB ' ' A' ' 21' ' ' CYS . 61.8 m -93.88 -75.83 0.49 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.282 0.563 . . . . 0.0 110.84 176.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' H ' ' HB2' ' A' ' 21' ' ' CYS . . . 142.28 -24.1 2.37 Favored Glycine 0 CA--C 1.522 0.498 0 CA-C-N 115.208 -0.905 . . . . 0.0 111.839 -173.468 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.577 ' OE2' ' HB3' ' A' ' 24' ' ' CYS . 6.3 mp0 -64.81 143.93 57.6 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 120.907 0.384 . . . . 0.0 111.14 -179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 25.0 p90 -118.49 117.46 29.08 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 171.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.42 HG21 HD22 ' A' ' 70' ' ' LEU . 60.2 mt -118.76 116.56 51.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.887 -174.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -76.27 148.43 37.58 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 58.3 mtt -109.27 138.12 46.1 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.033 0.444 . . . . 0.0 110.697 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -86.74 110.27 19.8 Favored 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 108.97 -0.752 . . . . 0.0 108.97 178.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.81 105.42 7.87 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.724 -179.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.0 mt -113.74 149.25 35.09 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.677 -179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.607 ' HB2' HD21 ' A' ' 41' ' ' LEU . 42.0 t -82.75 122.84 78.54 Favored Pre-proline 0 C--N 1.324 -0.521 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 171.016 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 78.0 Cg_exo -51.53 -32.67 44.64 Favored 'Trans proline' 0 CA--C 1.53 0.298 0 C-N-CA 122.875 2.383 . . . . 0.0 113.251 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -89.22 -10.14 48.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.453 -175.312 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 36.4 m -114.57 -40.81 3.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.03 0.443 . . . . 0.0 111.053 -179.029 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.8 m80 61.57 22.03 12.58 Favored 'General case' 0 CA--C 1.521 -0.152 0 CA-C-N 115.169 -0.923 . . . . 0.0 110.496 -169.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -109.14 151.97 42.28 Favored Pre-proline 0 N--CA 1.445 -0.707 0 CA-C-N 114.875 -1.057 . . . . 0.0 108.717 172.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.64 139.05 89.11 Favored 'Trans proline' 0 C--O 1.233 0.239 0 C-N-CA 123.072 2.515 . . . . 0.0 113.481 -174.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.607 HD21 ' HB2' ' A' ' 34' ' ' CYS . 84.1 mt -82.26 158.97 23.29 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.37 175.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -95.6 111.24 23.21 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 178.083 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.1 t -77.48 104.25 5.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.241 -179.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.54 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 67.8 mt -93.72 126.31 38.82 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.181 -177.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -97.82 102.91 14.79 Favored 'General case' 0 C--N 1.322 -0.614 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 171.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -90.02 28.7 1.33 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.393 -179.322 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.9 p 42.13 80.83 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 O-C-N 124.057 0.848 . . . . 0.0 111.508 -174.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 133.03 -59.1 0.69 Allowed Glycine 0 N--CA 1.445 -0.727 0 N-CA-C 110.701 -0.96 . . . . 0.0 110.701 -174.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.44 159.32 20.45 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 120.785 0.326 . . . . 0.0 110.58 176.18 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 64.4 t -117.58 124.75 73.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.54 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 26.1 m-20 -107.27 124.61 50.03 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.964 0.411 . . . . 0.0 111.197 -177.435 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 94.2 m-85 -84.12 98.54 9.95 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 173.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -100.94 127.48 47.4 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.988 0.423 . . . . 0.0 111.094 -172.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 42.2 t -88.54 89.22 7.9 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 175.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -75.7 94.57 3.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.993 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -178.7 17.12 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.347 -177.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.84 21.97 64.87 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.874 -0.679 . . . . 0.0 112.352 -176.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 39.0 m170 -99.09 -52.64 3.48 Favored 'General case' 0 C--N 1.329 -0.296 0 O-C-N 122.635 -0.332 . . . . 0.0 111.466 -177.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 130.96 -161.84 23.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.132 179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mp -91.83 134.08 35.07 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 110.056 -0.35 . . . . 0.0 110.056 179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.0 mm -95.54 136.52 26.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.937 -175.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.6 m -65.28 147.2 53.87 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.787 174.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.5 ttpt -59.53 -45.17 92.56 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -172.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 31.1 mtmm -81.62 5.5 17.99 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.884 0.373 . . . . 0.0 111.279 -178.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 15.9 ttm180 -102.23 -12.04 18.3 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.135 -0.484 . . . . 0.0 109.757 175.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 57.5 t -73.74 130.7 35.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.193 179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -86.55 107.13 17.98 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.535 -0.542 . . . . 0.0 109.535 178.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -95.37 116.18 28.44 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.581 179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.7 m -116.4 167.03 9.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.719 176.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.42 HD22 HG21 ' A' ' 28' ' ' ILE . 90.3 mt -72.78 126.36 29.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.774 -177.063 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.742 -0.647 . . . . 0.0 111.047 179.607 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.482 1.158 0 CA-C-O 120.772 0.32 . . . . 0.0 110.494 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.559 ' HB3' HG23 ' A' ' 11' ' ' VAL . 1.8 mp0 -80.81 106.66 12.99 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.119 177.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.524 ' HB3' ' HB2' ' A' ' 12' ' ' LEU . 31.5 tp -98.13 175.39 6.11 Favored 'General case' 0 C--N 1.32 -0.702 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 177.16 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.518 ' H ' ' HG ' ' A' ' 3' ' ' LEU . 69.5 m80 -129.79 148.53 51.68 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 120.841 0.353 . . . . 0.0 110.611 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -83.43 129.04 61.84 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.355 179.737 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo -65.58 -25.57 54.8 Favored 'Trans proline' 0 C--O 1.233 0.243 0 C-N-CA 122.312 2.008 . . . . 0.0 111.094 171.107 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -85.41 -82.15 0.19 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.132 177.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.2 p -95.16 69.34 3.17 Favored 'General case' 0 C--O 1.24 0.596 0 CA-C-N 114.994 -1.003 . . . . 0.0 109.387 -176.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 65.3 mt-30 -37.98 103.54 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 113.749 -1.568 . . . . 0.0 112.954 -178.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.55 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 7.8 m-70 -170.01 179.05 3.71 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 107.756 -1.202 . . . . 0.0 107.756 176.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.559 HG23 ' HB3' ' A' ' 2' ' ' GLU . 10.3 p -71.62 137.31 23.94 Favored 'Isoleucine or valine' 0 C--O 1.241 0.605 0 CA-C-O 121.665 0.745 . . . . 0.0 111.822 -177.201 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.524 ' HB2' ' HB3' ' A' ' 3' ' ' LEU . 81.3 mt -112.21 122.32 47.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 114.967 -1.015 . . . . 0.0 109.806 174.022 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -102.03 113.31 26.43 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.813 -0.81 . . . . 0.0 108.813 175.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -127.23 104.67 8.08 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.268 -173.362 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -98.09 -74.02 0.59 Allowed 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.033 177.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 84.6 m-20 -117.98 104.72 11.16 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.675 0.274 . . . . 0.0 111.507 -174.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 84.4 -51.15 4.52 Favored Glycine 0 CA--C 1.519 0.329 0 N-CA-C 114.451 0.54 . . . . 0.0 114.451 168.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -111.71 151.67 28.63 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.189 0.519 . . . . 0.0 112.255 -174.137 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -110.04 108.44 18.66 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.647 174.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.1 ttm-85 -98.79 130.05 45.22 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 121.234 0.54 . . . . 0.0 110.952 -178.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.535 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 91.7 m -66.94 97.87 0.52 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.889 173.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 5.6 tpt180 -61.93 -38.56 88.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.853 0.359 . . . . 0.0 110.848 -174.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.4 m -89.86 -43.77 10.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.248 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 10' ' ' HIS . 3.2 m -66.1 -41.96 89.94 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.169 -174.102 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.12 0.45 58.54 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.118 -175.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -91.7 166.01 13.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.77 0.319 . . . . 0.0 110.684 -178.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 32.9 p90 -125.18 126.87 45.92 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.535 HG21 HD22 ' A' ' 70' ' ' LEU . 60.9 mt -107.15 136.17 43.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.694 -177.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -93.36 149.87 20.9 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.871 -0.604 . . . . 0.0 109.861 179.312 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 33.0 mtt -102.28 159.0 15.79 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.342 0.592 . . . . 0.0 111.445 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.793 ' HE3' ' HA ' ' A' ' 71' ' ' ALA . 36.1 ttmt -130.47 109.6 10.82 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.038 -0.983 . . . . 0.0 109.34 -178.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.14 98.73 6.67 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.957 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.9 mt -111.36 147.3 35.45 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.191 0.519 . . . . 0.0 110.847 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.539 ' HB2' HD21 ' A' ' 41' ' ' LEU . 50.4 t -78.68 135.39 60.08 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.935 175.072 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 28.6 Cg_endo -63.33 -32.3 72.55 Favored 'Trans proline' 0 CA--C 1.535 0.574 0 C-N-CA 122.417 2.078 . . . . 0.0 113.468 -177.39 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -89.66 -17.08 29.07 Favored 'General case' 0 N--CA 1.466 0.346 0 N-CA-C 113.437 0.903 . . . . 0.0 113.437 -172.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.0 p -142.15 1.86 1.46 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 112.567 0.58 . . . . 0.0 112.567 -178.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 38.53 33.9 0.07 Allowed 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 124.722 1.209 . . . . 0.0 113.92 -177.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.2 mt-30 -93.57 145.23 29.56 Favored Pre-proline 0 C--N 1.324 -0.506 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 172.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo -57.52 126.76 22.94 Favored 'Trans proline' 0 C--O 1.236 0.383 0 C-N-CA 123.148 2.566 . . . . 0.0 112.784 -177.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.539 HD21 ' HB2' ' A' ' 34' ' ' CYS . 96.0 mt -78.02 139.78 39.13 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.613 178.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.539 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 9.6 tt0 -79.45 121.39 25.12 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.96 -0.563 . . . . 0.0 109.965 -179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.7 t -74.26 103.39 2.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.712 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.632 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 75.8 mt -86.49 107.75 18.22 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.258 179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -99.68 90.08 4.35 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 110.109 -0.33 . . . . 0.0 110.109 178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.9 86.64 3.32 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.194 -177.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 28.5 p 45.48 36.3 2.4 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.94 0.896 . . . . 0.0 112.908 178.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 118.37 -32.13 5.35 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.355 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.94 111.37 19.62 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.632 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 9.5 p -106.95 125.65 62.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 121.24 0.543 . . . . 0.0 111.002 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 6.3 t0 -134.84 170.76 15.37 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.434 ' HB3' HD13 ' A' ' 41' ' ' LEU . 97.4 m-85 -116.25 120.55 39.31 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.292 0.568 . . . . 0.0 111.45 -172.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.539 ' HB3' ' HB3' ' A' ' 42' ' ' GLN . 64.2 t80 -101.22 130.88 47.41 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.225 -179.002 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.665 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 51.1 t -87.89 103.1 15.35 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.541 -0.3 . . . . 0.0 110.634 -178.165 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.493 ' O ' ' HB2' ' A' ' 56' ' ' HIS . 40.4 mt-30 -72.47 95.26 1.76 Allowed 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.503 0.668 . . . . 0.0 110.537 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.493 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 1.0 OUTLIER 170.04 -3.66 0.0 OUTLIER 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 114.318 -1.31 . . . . 0.0 109.572 -177.281 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.444 ' H ' ' H ' ' A' ' 56' ' ' HIS . . . 90.88 28.31 16.18 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.634 -0.793 . . . . 0.0 112.223 -177.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.665 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 59.6 m170 -100.86 -8.42 22.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.85 0.357 . . . . 0.0 110.599 177.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.32 -148.06 32.22 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.237 178.24 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 92.2 mt -83.47 143.66 30.08 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.714 0.292 . . . . 0.0 110.754 -179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 50.5 mm -111.46 135.15 51.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.04 179.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 21.3 m -58.35 142.63 47.62 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 110.12 -0.326 . . . . 0.0 110.12 177.355 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -61.13 -30.74 70.55 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.619 -173.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -88.92 0.05 56.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.628 0.252 . . . . 0.0 111.651 179.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 21.8 ttm180 -99.42 -14.88 18.94 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.511 -0.552 . . . . 0.0 109.511 179.153 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.406 HG13 HD12 ' A' ' 41' ' ' LEU . 58.9 t -70.15 125.48 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.233 177.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -88.56 102.14 14.64 Favored 'General case' 0 N--CA 1.447 -0.617 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 176.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 97.7 m-85 -82.72 100.52 10.3 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.855 179.466 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.491 HG23 ' HB3' ' A' ' 31' ' ' LYS . 34.1 m -100.77 176.46 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.848 0 CA-C-N 115.967 -0.561 . . . . 0.0 109.79 178.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.535 HD22 HG21 ' A' ' 28' ' ' ILE . 66.4 mt -87.26 130.46 34.58 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 120.848 0.356 . . . . 0.0 110.185 -178.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.793 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.336 -0.84 . . . . 0.0 110.992 -177.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 88.6 mtp . . . . . 0 N--CA 1.482 1.138 0 N-CA-C 110.269 -0.271 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -117.78 29.16 7.99 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.179 0.514 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 79.8 mt -75.06 148.36 39.86 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.844 -0.798 . . . . 0.0 108.844 174.24 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 11' ' ' VAL . 33.6 m80 -127.03 155.96 42.41 Favored 'General case' 0 C--N 1.318 -0.771 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -178.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.9 m -74.72 122.19 86.93 Favored Pre-proline 0 C--N 1.326 -0.453 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 -179.265 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 28.9 Cg_endo -63.74 -22.11 69.65 Favored 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.633 2.222 . . . . 0.0 111.942 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -105.06 -72.93 0.69 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.66 178.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 2.6 p -80.74 12.58 3.08 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 113.012 0.745 . . . . 0.0 113.012 -171.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.409 ' HB3' ' H ' ' A' ' 10' ' ' HIS . 35.4 mm-40 51.71 -152.86 0.21 Allowed 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 174.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.409 ' H ' ' HB3' ' A' ' 9' ' ' GLN . 29.2 m170 70.24 -97.9 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.27 0.628 . . . . 0.0 111.442 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.43 ' HA ' ' HA ' ' A' ' 4' ' ' HIS . 8.0 p -164.98 147.79 2.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.29 0 CA-C-O 121.017 0.437 . . . . 0.0 111.49 -176.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.512 HD21 HD12 ' A' ' 28' ' ' ILE . 26.1 mt -112.01 81.4 1.46 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.58 173.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.488 ' HB3' ' HE ' ' A' ' 22' ' ' ARG . 8.9 t70 -94.78 100.81 12.64 Favored 'General case' 0 C--N 1.32 -0.707 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 178.586 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 54.5 mt-30 -89.3 145.54 25.31 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.759 -169.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -67.25 -63.52 1.04 Allowed 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.538 -0.912 . . . . 0.0 108.538 170.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -176.74 104.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 114.724 -1.126 . . . . 0.0 108.986 176.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 81.68 -62.45 4.51 Favored Glycine 0 N--CA 1.453 -0.192 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.73 -177.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.1 t60 -77.21 117.81 19.11 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 176.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.01 105.44 17.45 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.604 -174.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -91.13 121.9 33.32 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 173.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.635 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 74.3 m -70.64 90.93 0.78 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 174.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.488 ' HE ' ' HB3' ' A' ' 13' ' ' ASP . 34.7 mtm180 -58.83 -59.41 5.48 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 111.617 0.228 . . . . 0.0 111.617 -177.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.8 m -71.96 -9.48 58.42 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -176.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.635 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 29.7 m -93.77 -50.54 5.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.242 0.544 . . . . 0.0 110.891 175.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 104.52 14.27 24.12 Favored Glycine 0 CA--C 1.521 0.461 0 CA-C-N 115.597 -0.729 . . . . 0.0 111.711 -172.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.403 ' H ' ' HB2' ' A' ' 21' ' ' CYS . 12.5 mt-10 -103.38 173.46 6.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.026 0.441 . . . . 0.0 111.712 -175.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -132.43 116.48 16.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.747 -0.66 . . . . 0.0 109.742 175.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.512 HD12 HD21 ' A' ' 12' ' ' LEU . 58.0 mt -112.96 135.1 53.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.18 0.514 . . . . 0.0 110.989 -179.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -94.41 145.8 24.52 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.185 175.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 27.2 mtt -124.78 153.46 42.42 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.252 0.549 . . . . 0.0 111.189 176.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.426 ' HE2' ' HA ' ' A' ' 71' ' ' ALA . 63.6 mttm -110.44 128.75 55.75 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.391 -0.822 . . . . 0.0 110.171 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.19 109.01 17.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.151 177.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.47 HD23 ' HA ' ' A' ' 40' ' ' PRO . 67.0 mt -117.65 158.12 25.22 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 121.028 0.442 . . . . 0.0 110.995 -177.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.46 ' HB2' HD21 ' A' ' 41' ' ' LEU . 16.0 t -81.0 125.07 80.74 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.053 -0.721 . . . . 0.0 109.053 174.479 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.465 ' HG3' ' HG2' ' A' ' 65' ' ' ARG . 19.3 Cg_endo -57.03 -26.38 68.25 Favored 'Trans proline' 0 N--CA 1.476 0.46 0 C-N-CA 123.432 2.755 . . . . 0.0 114.912 -169.129 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.526 ' OD1' ' HE1' ' A' ' 58' ' ' HIS . 6.9 p-10 -98.92 -50.2 4.28 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.003 0.371 . . . . 0.0 112.003 -174.377 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.8 p -92.77 -10.7 36.03 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.884 0.373 . . . . 0.0 110.996 -174.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 34.2 t60 65.8 2.94 2.32 Favored 'General case' 0 N--CA 1.467 0.379 0 C-N-CA 123.51 0.724 . . . . 0.0 112.044 174.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.519 ' HG3' ' CD2' ' A' ' 56' ' ' HIS . 32.8 mm-40 -69.81 146.55 95.63 Favored Pre-proline 0 C--O 1.236 0.386 0 CA-C-O 120.422 0.153 . . . . 0.0 110.773 176.233 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.47 ' HA ' HD23 ' A' ' 33' ' ' LEU . 17.0 Cg_exo -67.81 146.61 72.92 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 123.472 2.781 . . . . 0.0 113.055 -177.293 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.46 HD21 ' HB2' ' A' ' 34' ' ' CYS . 38.2 mt -99.42 137.93 37.23 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.585 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 25.9 tt0 -87.85 128.59 35.34 Favored 'General case' 0 C--N 1.321 -0.637 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 49.0 t -74.33 111.64 10.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 121.012 0.434 . . . . 0.0 110.762 -178.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.545 HD11 ' HB2' ' A' ' 53' ' ' PHE . 90.7 mt -88.49 85.88 6.93 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.348 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -90.76 101.84 14.59 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.635 179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -114.1 161.71 17.41 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.484 -0.561 . . . . 0.0 109.484 175.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.0 p -74.69 79.75 2.03 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.511 0.672 . . . . 0.0 110.156 177.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 153.77 -61.52 0.38 Allowed Glycine 0 N--CA 1.443 -0.834 0 CA-C-N 115.419 -0.81 . . . . 0.0 111.558 -177.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.29 136.18 51.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.83 0.348 . . . . 0.0 111.045 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.504 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 61.0 t -117.4 116.77 52.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.665 174.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.3 t0 -131.45 -172.09 2.76 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.988 -0.285 . . . . 0.0 110.693 -177.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.428 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 87.3 m-85 -121.51 131.59 54.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.942 0.401 . . . . 0.0 111.458 -178.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.545 ' HB2' HD11 ' A' ' 44' ' ' LEU . 75.2 t80 -107.17 122.32 46.28 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.243 178.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.529 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 45.5 t -68.05 98.9 0.81 Allowed 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.559 -0.291 . . . . 0.0 110.564 178.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.532 ' O ' ' HB3' ' A' ' 56' ' ' HIS . 10.1 tt0 -70.78 116.02 10.6 Favored 'General case' 0 N--CA 1.442 -0.848 0 N-CA-C 108.575 -0.898 . . . . 0.0 108.575 173.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.532 ' HB3' ' O ' ' A' ' 55' ' ' GLN . 27.9 t60 88.43 86.1 0.02 OUTLIER 'General case' 0 C--O 1.233 0.227 0 O-C-N 124.492 1.12 . . . . 0.0 110.328 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 76.91 88.6 0.31 Allowed Glycine 0 N--CA 1.448 -0.549 0 CA-C-N 115.178 -0.919 . . . . 0.0 114.185 171.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.529 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 2.6 m80 156.29 -73.8 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 124.649 1.179 . . . . 0.0 111.533 164.356 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 120.12 -157.04 15.78 Favored Glycine 0 N--CA 1.448 -0.521 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -167.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mp -64.12 130.74 45.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 117.859 0.829 . . . . 0.0 111.1 -179.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 48.0 mm -108.3 138.29 35.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.981 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 2.8 p -56.27 125.77 23.28 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-O 121.004 0.43 . . . . 0.0 110.332 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.458 ' NZ ' ' HB2' ' A' ' 63' ' ' LYS . 4.8 ttmp? -57.79 -29.28 64.73 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.699 -0.682 . . . . 0.0 112.405 -172.031 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.0 pttt -83.51 -9.49 58.93 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.012 0.434 . . . . 0.0 111.499 -178.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.465 ' HG2' ' HG3' ' A' ' 35' ' ' PRO . 41.5 ttm180 -97.61 -15.27 20.54 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.024 0.44 . . . . 0.0 110.294 179.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 90.5 t -56.52 137.87 17.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.679 -178.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -92.25 114.49 27.05 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.69 177.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -100.53 114.38 27.96 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.588 -179.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.0 m -114.06 153.6 15.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.15 177.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.747 HD23 ' H ' ' A' ' 70' ' ' LEU . 2.3 pt? -75.41 145.14 41.81 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.426 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.249 1.042 0 CA-C-O 118.488 -0.768 . . . . 0.0 110.547 178.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 51.7 ttp . . . . . 0 N--CA 1.481 1.1 0 CA-C-O 121.299 0.571 . . . . 0.0 109.894 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.99 112.25 24.06 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.432 -0.803 . . . . 0.0 110.199 178.281 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.7 mp -72.53 125.25 26.98 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.555 ' HA ' ' HA ' ' A' ' 11' ' ' VAL . 18.7 m80 -84.52 152.74 23.72 Favored 'General case' 0 C--N 1.319 -0.753 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -79.91 104.14 2.21 Favored Pre-proline 0 C--N 1.332 -0.163 0 C-N-CA 120.874 -0.33 . . . . 0.0 111.465 -173.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.533 ' HD3' ' O ' ' A' ' 4' ' ' HIS . 83.8 Cg_endo -77.97 72.82 6.0 Favored 'Trans proline' 0 C--N 1.349 0.595 0 C-N-CA 123.246 2.631 . . . . 0.0 112.603 -172.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -173.54 -45.06 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.683 -1.144 . . . . 0.0 108.578 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 4.8 p -118.42 -25.52 6.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.484 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.458 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 15.5 mm-40 72.5 123.47 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 C-N-CA 124.053 0.941 . . . . 0.0 112.8 177.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 174.41 -87.49 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 CA-C-N 114.371 -1.286 . . . . 0.0 109.27 174.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.555 ' HA ' ' HA ' ' A' ' 4' ' ' HIS . 13.8 p -171.78 142.22 0.49 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.013 0.435 . . . . 0.0 111.264 179.042 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 21' ' ' CYS . 82.5 mt -117.99 96.91 5.55 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.872 175.127 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -88.79 105.41 17.7 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 177.196 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.695 ' HG2' ' HB2' ' A' ' 19' ' ' ALA . 77.4 mt-30 -84.85 143.76 28.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.454 -168.184 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -61.8 -58.65 7.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.233 170.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -173.89 -54.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.362 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -104.37 -64.34 0.68 Allowed Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.715 177.26 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -82.79 158.33 22.85 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 110.069 -0.345 . . . . 0.0 110.069 177.297 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.695 ' HB2' ' HG2' ' A' ' 14' ' ' GLN . . . -129.95 170.41 13.99 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.089 0.471 . . . . 0.0 111.568 -175.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 -150.91 144.37 24.94 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.479 -0.782 . . . . 0.0 108.97 176.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.544 ' HB3' ' HB2' ' A' ' 24' ' ' CYS . 56.8 m -62.68 109.33 1.38 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 174.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.401 ' HB3' HG13 ' A' ' 11' ' ' VAL . 3.5 tpt180 -62.86 -54.85 32.42 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.157 -172.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.2 m -77.89 -41.15 37.6 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.984 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.544 ' HB2' ' HB3' ' A' ' 21' ' ' CYS . 3.4 m -67.77 -53.22 28.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.049 0.452 . . . . 0.0 110.748 -175.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 106.78 -12.98 42.1 Favored Glycine 0 N--CA 1.45 -0.417 0 C-N-CA 121.077 -0.582 . . . . 0.0 111.795 -174.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 11.0 mt-10 -65.3 152.01 44.82 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 123.038 0.535 . . . . 0.0 111.395 -177.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 92.2 m-85 -96.62 112.42 24.18 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.666 177.566 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 55.2 mt -128.53 94.23 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 174.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -93.73 169.96 9.92 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 66.5 mtt -122.2 138.84 54.34 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.057 0.456 . . . . 0.0 111.297 -176.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 66.1 mttm -77.76 131.11 37.49 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.37 -0.832 . . . . 0.0 109.557 175.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -88.71 87.93 7.42 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.785 -0.45 . . . . 0.0 109.785 176.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 40' ' ' PRO . 72.1 mt -105.59 148.24 27.53 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.111 -175.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.542 ' HB2' HD21 ' A' ' 41' ' ' LEU . 53.2 t -76.67 124.03 87.69 Favored Pre-proline 0 C--N 1.324 -0.537 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 171.687 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -58.11 -29.32 86.79 Favored 'Trans proline' 0 N--CA 1.474 0.382 0 C-N-CA 123.087 2.525 . . . . 0.0 113.459 -170.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -77.74 -36.84 50.37 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.551 -0.295 . . . . 0.0 111.712 -174.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.56 ' HB2' ' OE1' ' A' ' 39' ' ' GLN . 2.7 p -120.44 -22.36 6.5 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -170.025 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 44.0 m80 67.6 18.19 9.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.961 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.56 ' OE1' ' HB2' ' A' ' 37' ' ' CYS . 1.8 mp0 -78.86 139.93 58.02 Favored Pre-proline 0 C--O 1.238 0.463 0 N-CA-C 109.061 -0.718 . . . . 0.0 109.061 168.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 39' ' ' GLN . 38.5 Cg_exo -60.64 129.86 31.06 Favored 'Trans proline' 0 C--O 1.234 0.289 0 C-N-CA 122.721 2.281 . . . . 0.0 112.04 179.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.542 HD21 ' HB2' ' A' ' 34' ' ' CYS . 95.8 mt -73.18 126.88 31.08 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.14 178.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -72.52 120.44 18.13 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.144 -179.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.9 t -78.22 101.27 3.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.456 -178.253 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.505 HD11 ' HB2' ' A' ' 53' ' ' PHE . 61.6 mt -80.75 99.0 8.01 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.794 -0.639 . . . . 0.0 109.696 178.636 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.41 ' HE2' ' HB3' ' A' ' 45' ' ' LYS . 32.2 mtpt -98.21 106.43 18.72 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.113 0.482 . . . . 0.0 111.025 178.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -107.29 -179.12 3.83 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.465 -0.789 . . . . 0.0 109.305 174.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 34.1 t -80.55 82.83 6.47 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.05 0.452 . . . . 0.0 110.313 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.6 -12.38 23.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.846 178.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.93 138.02 53.22 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.607 0.241 . . . . 0.0 111.254 -178.198 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.443 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 58.3 t -136.39 119.52 22.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 N-CA-C 109.673 -0.492 . . . . 0.0 109.673 177.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.506 ' HB3' HD22 ' A' ' 60' ' ' LEU . 6.0 m-20 -130.61 158.43 40.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.926 0.394 . . . . 0.0 111.183 -178.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.512 ' HB3' ' HB3' ' A' ' 41' ' ' LEU . 95.6 m-85 -108.03 113.35 26.46 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.191 177.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.505 ' HB2' HD11 ' A' ' 44' ' ' LEU . 62.3 t80 -103.61 132.19 50.09 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.01 -175.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.463 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 44.0 t -101.98 99.74 9.95 Favored 'General case' 0 C--O 1.24 0.566 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.172 178.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -70.43 94.97 1.0 Allowed 'General case' 0 CA--C 1.515 -0.38 0 CA-C-O 121.53 0.681 . . . . 0.0 110.073 176.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 176.4 22.16 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 114.116 -1.402 . . . . 0.0 109.118 -179.306 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.01 31.63 66.64 Favored Glycine 0 N--CA 1.449 -0.494 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.633 -176.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.463 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 49.9 m170 -113.58 -10.49 13.13 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 117.082 0.441 . . . . 0.0 110.912 -179.26 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 70.51 -142.41 35.32 Favored Glycine 0 N--CA 1.45 -0.411 0 C-N-CA 120.868 -0.682 . . . . 0.0 113.063 176.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.506 HD22 ' HB3' ' A' ' 51' ' ' ASP . 96.0 mt -92.84 134.47 35.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.876 0.37 . . . . 0.0 110.922 -177.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 43.2 mm -107.06 120.53 58.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.263 -179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 42.4 m -61.75 147.99 44.43 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.519 -0.309 . . . . 0.0 110.272 175.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.46 ' HA ' HG23 ' A' ' 66' ' ' VAL . 19.2 pttp -70.94 0.32 7.63 Favored 'General case' 0 CA--C 1.533 0.32 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 -172.029 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 46.0 mttp -82.67 -30.52 29.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.429 0.633 . . . . 0.0 109.647 171.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 65' ' ' ARG . 42.2 mtm180 -102.95 13.67 33.77 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.382 -0.826 . . . . 0.0 110.875 -172.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.46 HG23 ' HA ' ' A' ' 63' ' ' LYS . 61.7 t -87.48 128.42 40.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.737 175.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -92.5 105.1 17.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.001 0.429 . . . . 0.0 109.93 -178.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -88.77 115.59 26.42 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.753 -178.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.0 m -113.54 153.45 15.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.172 177.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 7.4 mp -67.03 128.37 36.11 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.712 0.291 . . . . 0.0 110.459 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.39 -0.814 . . . . 0.0 111.068 -177.449 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.6 ptp . . . . . 0 N--CA 1.48 1.064 0 N-CA-C 110.224 -0.287 . . . . 0.0 110.224 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.433 ' O ' ' HG3' ' A' ' 2' ' ' GLU . 5.2 pt-20 -75.65 117.38 17.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.444 0.64 . . . . 0.0 111.833 -175.214 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.539 ' HB2' ' HB2' ' A' ' 12' ' ' LEU . 90.8 mt -97.7 163.85 12.65 Favored 'General case' 0 C--N 1.32 -0.706 0 N-CA-C 107.651 -1.24 . . . . 0.0 107.651 167.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -116.49 139.22 50.7 Favored 'General case' 0 C--N 1.317 -0.832 0 C-N-CA 120.212 -0.595 . . . . 0.0 111.499 -177.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.491 ' SG ' ' HB3' ' A' ' 7' ' ' GLN . 10.8 t -84.58 108.88 16.38 Favored Pre-proline 0 C--O 1.215 -0.738 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.147 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_exo -52.51 -15.63 4.32 Favored 'Trans proline' 0 N--CA 1.48 0.709 0 C-N-CA 123.126 2.551 . . . . 0.0 113.316 -174.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . 0.491 ' HB3' ' SG ' ' A' ' 5' ' ' CYS . 7.3 tm0? -81.49 -39.57 24.55 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.423 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.6 p -132.51 1.71 3.75 Favored 'General case' 0 N--CA 1.468 0.437 0 CA-C-O 120.878 0.37 . . . . 0.0 111.525 -176.647 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.421 ' N ' ' O ' ' A' ' 5' ' ' CYS . 87.2 mt-30 54.69 24.9 5.93 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 124.128 0.971 . . . . 0.0 112.656 177.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -99.87 171.81 7.63 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.467 175.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.49 133.86 29.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 -172.627 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.539 ' HB2' ' HB2' ' A' ' 3' ' ' LEU . 97.5 mt -99.74 106.72 18.65 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 114.666 -1.152 . . . . 0.0 108.335 166.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -97.51 135.96 38.61 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-O 121.002 0.43 . . . . 0.0 110.841 -176.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 25.7 mp0 -94.66 96.6 9.52 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.624 -176.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -73.59 -29.83 62.64 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.9 0.857 . . . . 0.0 109.244 172.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.428 ' C ' ' H ' ' A' ' 18' ' ' HIS . 8.3 p30 -160.74 -148.07 0.16 Allowed 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.447 -1.251 . . . . 0.0 107.819 178.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -74.2 24.76 1.08 Allowed Glycine 0 CA--C 1.524 0.655 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.853 176.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.428 ' H ' ' C ' ' A' ' 16' ' ' ASN . 33.1 m170 -133.59 136.13 44.71 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -101.78 102.83 13.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.079 0.466 . . . . 0.0 109.746 176.031 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.1 ttm180 -100.92 110.65 22.73 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.63 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 38.5 t -71.72 104.17 3.31 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.161 -175.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.403 HH11 ' HD2' ' A' ' 22' ' ' ARG . 62.7 mtt85 -71.77 86.66 0.95 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.885 178.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.8 p 174.42 -66.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.19 -0.914 . . . . 0.0 108.983 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 4.0 p -93.78 -18.13 22.39 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.94 178.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.81 14.01 80.39 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.538 -0.839 . . . . 0.0 111.554 -177.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -61.11 130.3 45.63 Favored 'General case' 0 C--O 1.237 0.397 0 CA-C-N 115.423 -0.389 . . . . 0.0 110.331 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 19.0 p90 -98.54 104.88 16.96 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.396 -178.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 54.2 mt -113.25 105.34 18.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.991 179.058 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -88.64 171.62 9.88 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 178.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.523 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 49.3 mtt -117.4 122.93 45.17 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-O 121.131 0.491 . . . . 0.0 110.778 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.3 ttmm -88.46 119.46 28.93 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.562 -179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.01 107.53 10.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.69 -176.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 99.4 mt -113.58 157.64 21.82 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.257 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.623 ' SG ' HD11 ' A' ' 61' ' ' ILE . 36.8 t -84.93 115.92 63.1 Favored Pre-proline 0 C--N 1.323 -0.581 0 N-CA-C 110.013 -0.365 . . . . 0.0 110.013 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 34' ' ' CYS . 24.5 Cg_exo -63.52 -19.41 67.68 Favored 'Trans proline' 0 CA--C 1.53 0.292 0 C-N-CA 122.849 2.366 . . . . 0.0 113.795 -172.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.2 p30 -86.36 -36.5 19.18 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.513 0.56 . . . . 0.0 112.513 -175.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 39' ' ' GLN . 3.6 p -118.86 -6.05 10.57 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.927 0.394 . . . . 0.0 111.485 -177.237 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.2 t-160 59.95 21.31 10.35 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 123.75 0.82 . . . . 0.0 111.844 177.026 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.467 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 78.2 mt-30 -109.33 157.15 38.03 Favored Pre-proline 0 C--N 1.323 -0.548 0 N-CA-C 109.517 -0.549 . . . . 0.0 109.517 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.467 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 16.7 Cg_endo -57.13 147.64 74.36 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 123.137 2.558 . . . . 0.0 113.627 -174.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.46 HD13 ' HB3' ' A' ' 52' ' ' TYR . 90.7 mt -92.81 159.79 15.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.641 177.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -93.87 109.49 21.19 Favored 'General case' 0 C--N 1.318 -0.78 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 174.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.9 t -77.31 101.85 3.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.987 179.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.419 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 85.4 mt -76.78 87.95 3.4 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.589 179.337 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -96.55 90.28 5.3 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.491 -178.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -96.67 10.77 37.65 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.136 177.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 80.0 m 71.3 -47.1 0.65 Allowed 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 123.727 0.811 . . . . 0.0 111.214 -177.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -66.69 -55.89 15.47 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.538 175.302 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.04 136.26 51.95 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.668 0.27 . . . . 0.0 110.669 175.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.419 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 58.1 t -109.43 109.39 28.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-N 116.222 -0.445 . . . . 0.0 109.863 176.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -112.93 152.5 29.26 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.107 0.479 . . . . 0.0 111.41 -175.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.46 ' HB3' HD13 ' A' ' 41' ' ' LEU . 88.0 m-85 -108.64 106.37 16.4 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.969 178.432 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 90.4 t80 -113.82 131.09 56.37 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.629 -174.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.488 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 41.7 t -81.76 89.66 6.31 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 176.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -71.54 94.72 1.32 Allowed 'General case' 0 CA--C 1.517 -0.31 0 N-CA-C 109.064 -0.717 . . . . 0.0 109.064 177.177 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 172.13 -35.15 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 114.0 -1.455 . . . . 0.0 107.404 -169.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 123.89 57.75 0.18 Allowed Glycine 0 N--CA 1.447 -0.605 0 CA-C-N 114.906 -1.043 . . . . 0.0 112.795 178.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.488 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 23.7 m170 -137.16 -3.62 1.96 Allowed 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 117.004 0.402 . . . . 0.0 111.282 174.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 76.28 -148.25 35.61 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.091 -178.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mp -99.56 147.39 25.38 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.901 0.381 . . . . 0.0 110.31 179.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.623 HD11 ' SG ' ' A' ' 34' ' ' CYS . 44.4 mt -107.55 144.68 15.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.193 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.2 m -57.13 131.16 49.11 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 175.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -53.36 -39.48 64.2 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.813 -174.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -90.14 6.89 40.66 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 111.596 0.221 . . . . 0.0 111.596 -176.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -116.82 -5.76 11.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.942 0.401 . . . . 0.0 110.599 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 58.6 t -65.43 146.42 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.03 -0.532 . . . . 0.0 109.992 178.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.4 tt0 -78.27 105.71 9.69 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 179.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.523 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 65.4 m-85 -100.11 110.36 22.65 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.563 -179.409 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 29.3 m -100.93 153.69 4.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.161 175.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 64.9 mt -70.01 118.1 12.43 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.493 -178.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.197 0 CA-C-O 118.319 -0.848 . . . . 0.0 111.043 -178.738 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.3 tpp . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -144.48 98.35 3.19 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.406 0.622 . . . . 0.0 111.168 -175.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.405 ' O ' ' HA ' ' A' ' 11' ' ' VAL . 96.5 mt -127.92 95.47 4.21 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.74 -0.663 . . . . 0.0 109.475 177.177 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.496 ' HB3' ' OE1' ' A' ' 9' ' ' GLN . 63.2 m80 -124.78 162.09 25.04 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 120.967 0.413 . . . . 0.0 110.808 -175.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 61.2 m -80.63 150.55 70.07 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.001 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -86.98 12.08 3.08 Favored 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.799 2.333 . . . . 0.0 112.022 175.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 8.5 tt0 -149.12 -69.4 0.21 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.743 179.639 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.652 ' SG ' ' HB2' ' A' ' 24' ' ' CYS . 26.6 p -98.71 72.59 1.99 Allowed 'General case' 0 C--O 1.235 0.309 0 CA-C-O 121.559 0.695 . . . . 0.0 109.323 -178.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.496 ' OE1' ' HB3' ' A' ' 4' ' ' HIS . 17.8 mm-40 -35.0 107.47 0.05 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 113.447 -1.706 . . . . 0.0 113.353 178.252 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.667 ' HD2' HG12 ' A' ' 11' ' ' VAL . 6.4 t60 -155.05 -79.38 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.734 -0.666 . . . . 0.0 109.445 174.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.667 HG12 ' HD2' ' A' ' 10' ' ' HIS . 11.9 p -173.72 145.62 0.44 Allowed 'Isoleucine or valine' 0 C--O 1.232 0.165 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.585 178.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.486 HD23 ' HB3' ' A' ' 21' ' ' CYS . 97.8 mt -94.73 109.67 21.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.607 174.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.648 ' HB2' ' HB2' ' A' ' 22' ' ' ARG . 15.6 t70 -104.76 86.73 2.53 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.206 0.527 . . . . 0.0 109.673 -178.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.554 ' NE2' ' H ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -72.52 131.38 42.44 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.386 0.612 . . . . 0.0 111.047 -173.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.0 p-10 -94.32 -58.1 2.31 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.779 -177.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 -167.91 107.14 0.53 Allowed 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.473 -0.33 . . . . 0.0 110.29 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.98 -41.06 2.99 Favored Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.805 -0.712 . . . . 0.0 113.075 175.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.506 ' HB2' ' O ' ' A' ' 28' ' ' ILE . 14.7 p80 -124.18 169.99 11.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 122.574 -0.368 . . . . 0.0 110.861 -178.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -104.85 110.41 22.76 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.354 0.597 . . . . 0.0 111.208 -176.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 36.7 ttp180 -99.01 102.88 14.76 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.341 176.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.609 ' SG ' ' HB2' ' A' ' 26' ' ' GLU . 30.2 p -68.72 114.6 7.22 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 119.713 -0.795 . . . . 0.0 109.663 -177.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.648 ' HB2' ' HB2' ' A' ' 13' ' ' ASP . 26.2 ttt180 -61.64 128.62 37.14 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 114.782 -1.099 . . . . 0.0 111.895 -167.318 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 44.2 m 74.65 -33.62 0.25 Allowed 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 114.961 -1.018 . . . . 0.0 113.12 174.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.652 ' HB2' ' SG ' ' A' ' 8' ' ' CYS . 2.0 p -94.21 4.01 54.47 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 113.673 0.99 . . . . 0.0 113.673 -174.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.51 -57.5 0.55 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 116.766 1.466 . . . . 0.0 116.766 159.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.609 ' HB2' ' SG ' ' A' ' 21' ' ' CYS . 9.5 mt-10 -43.46 123.35 3.0 Favored 'General case' 0 N--CA 1.482 1.153 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -170.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -97.97 95.21 7.33 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.039 -0.528 . . . . 0.0 109.729 170.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.506 ' O ' ' HB2' ' A' ' 18' ' ' HIS . 76.1 mt -97.14 145.79 8.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.315 -178.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.487 ' HA ' ' HB2' ' A' ' 18' ' ' HIS . 38.0 mt-10 -104.22 148.12 26.69 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.772 -0.371 . . . . 0.0 110.547 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 89.7 mmm -114.22 151.58 32.56 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.586 -179.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.489 ' HB3' HG23 ' A' ' 69' ' ' VAL . 25.3 ttpt -118.48 116.3 26.39 Favored 'General case' 0 C--N 1.316 -0.857 0 CA-C-N 116.252 -0.431 . . . . 0.0 109.942 -175.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.48 118.56 25.98 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.738 -174.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.427 HD23 ' HA ' ' A' ' 40' ' ' PRO . 86.4 mt -119.29 148.1 43.54 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.409 177.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.551 ' HB2' HD21 ' A' ' 41' ' ' LEU . 42.1 t -77.86 126.41 84.11 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 173.648 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -56.92 -34.24 96.79 Favored 'Trans proline' 0 CA--C 1.534 0.487 0 C-N-CA 122.794 2.329 . . . . 0.0 113.928 -171.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.47 ' OD2' ' HE1' ' A' ' 58' ' ' HIS . 0.7 OUTLIER -78.74 -33.53 46.57 Favored 'General case' 0 N--CA 1.466 0.326 0 N-CA-C 112.406 0.521 . . . . 0.0 112.406 -172.739 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -125.33 -14.8 6.37 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 112.098 0.407 . . . . 0.0 112.098 -170.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.7 m170 60.24 22.57 11.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.914 -178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 13.9 mm100 -70.05 135.4 87.3 Favored Pre-proline 0 N--CA 1.451 -0.424 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 169.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.427 ' HA ' HD23 ' A' ' 33' ' ' LEU . 31.4 Cg_exo -59.32 119.18 6.27 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.577 2.185 . . . . 0.0 111.278 176.461 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.551 HD21 ' HB2' ' A' ' 34' ' ' CYS . 69.9 mt -71.24 138.95 49.86 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.175 0.512 . . . . 0.0 111.292 -176.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.465 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 6.0 tp60 -81.65 126.1 31.36 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.069 177.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.4 t -80.04 99.96 4.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.718 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 50.0 mt -82.65 122.15 27.75 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.892 -174.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.419 ' HG2' HG22 ' A' ' 50' ' ' VAL . 53.5 mttt -103.99 87.66 2.83 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.141 -0.689 . . . . 0.0 109.141 165.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -92.23 92.03 8.01 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.188 -178.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 29.7 t 68.79 -69.4 0.16 Allowed 'General case' 0 CA--C 1.533 0.29 0 O-C-N 124.033 0.833 . . . . 0.0 111.042 -178.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -146.2 8.37 1.44 Allowed Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 121.051 -0.595 . . . . 0.0 112.223 178.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -114.52 139.41 49.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 122.78 -0.247 . . . . 0.0 110.716 -178.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.718 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 89.3 t -114.29 113.91 45.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.528 -178.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -131.76 -171.95 2.74 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 -177.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -124.99 132.43 53.26 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.128 0.49 . . . . 0.0 111.011 -177.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.515 ' HB2' HD11 ' A' ' 44' ' ' LEU . 38.9 t80 -118.57 131.0 56.21 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.817 -0.629 . . . . 0.0 111.564 -174.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 19.1 t -109.87 103.13 11.88 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.804 173.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -76.72 102.7 6.33 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 177.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 171.9 28.64 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.445 -1.252 . . . . 0.0 109.055 -176.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 73.39 21.4 79.63 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.586 -176.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.47 ' HE1' ' OD2' ' A' ' 36' ' ' ASP . 53.5 m170 -109.19 -33.19 6.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 0.0 110.471 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 67.53 -135.92 31.44 Favored Glycine 0 N--CA 1.444 -0.784 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.334 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 93.7 mt -68.26 121.52 16.4 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 120.966 0.412 . . . . 0.0 111.32 -178.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 42.4 mm -97.72 131.02 45.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 115.782 -0.645 . . . . 0.0 109.58 176.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.582 ' HB2' ' HD3' ' A' ' 65' ' ' ARG . 5.7 m -55.9 127.62 31.15 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.314 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.1 mtpt -65.05 -22.02 66.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.47 -173.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -85.89 -4.0 59.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.082 0.468 . . . . 0.0 111.037 177.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.582 ' HD3' ' HB2' ' A' ' 62' ' ' SER . 65.0 mtp180 -115.61 5.77 14.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.702 -177.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.479 HG13 HD12 ' A' ' 41' ' ' LEU . 96.9 t -74.71 136.71 24.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.46 179.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -87.77 102.43 14.66 Favored 'General case' 0 N--CA 1.45 -0.464 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 176.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -91.89 110.98 22.34 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.24 -177.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.489 HG23 ' HB3' ' A' ' 31' ' ' LYS . 31.5 m -104.95 -174.69 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 173.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -85.22 144.31 28.21 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 178.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.089 0 CA-C-O 118.41 -0.805 . . . . 0.0 110.726 178.682 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ttt . . . . . 0 N--CA 1.48 1.065 0 N-CA-C 110.079 -0.341 . . . . 0.0 110.079 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.489 ' HB3' HG13 ' A' ' 11' ' ' VAL . 2.7 mp0 -89.56 137.58 32.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.266 -0.425 . . . . 0.0 109.882 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.412 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.9 mp -77.15 151.17 35.44 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 178.376 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 23.9 m170 -117.16 144.3 44.88 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.977 -0.379 . . . . 0.0 109.977 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.432 ' O ' ' HA ' ' A' ' 9' ' ' GLN . 2.4 m -74.49 141.73 76.94 Favored Pre-proline 0 C--N 1.324 -0.507 0 N-CA-C 109.55 -0.537 . . . . 0.0 109.55 174.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -70.14 -42.52 2.95 Favored 'Trans proline' 0 CA--C 1.532 0.384 0 C-N-CA 121.867 1.711 . . . . 0.0 112.178 176.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -91.45 -68.08 0.81 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.332 0.587 . . . . 0.0 110.492 -179.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.429 ' C ' ' HB2' ' A' ' 5' ' ' CYS . 20.3 p -84.9 56.73 4.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.033 178.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.432 ' HA ' ' O ' ' A' ' 5' ' ' CYS . 8.5 pt20 -48.77 100.72 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 113.747 1.018 . . . . 0.0 113.747 -171.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.616 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 18.1 m80 -158.42 -172.33 3.82 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 114.545 -1.207 . . . . 0.0 108.126 174.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.489 HG13 ' HB3' ' A' ' 2' ' ' GLU . 94.6 t -68.19 129.92 33.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.148 0.499 . . . . 0.0 112.138 -176.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.0 mt -110.31 135.29 51.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.444 174.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -108.54 105.28 14.84 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 175.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 33.2 tt0 -91.72 102.9 15.52 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.64 -0.709 . . . . 0.0 109.29 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -101.54 -86.55 0.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.912 -172.599 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.1 t30 -126.24 86.32 2.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.183 0.516 . . . . 0.0 110.43 -176.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.48 -35.62 2.64 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.973 -0.632 . . . . 0.0 113.17 177.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 70.0 m-70 -112.67 138.69 49.1 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 -177.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.75 112.32 23.92 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.664 0.269 . . . . 0.0 110.343 178.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 80.3 ttt180 -107.55 133.91 51.33 Favored 'General case' 0 C--N 1.319 -0.736 0 CA-C-O 121.475 0.655 . . . . 0.0 110.481 177.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.625 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 12.8 m -61.91 139.07 58.41 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.997 -1.001 . . . . 0.0 110.334 177.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 13.9 mmm180 -88.01 -62.27 1.53 Allowed 'General case' 0 C--N 1.319 -0.733 0 CA-C-O 121.089 0.471 . . . . 0.0 110.125 176.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.5 ' HB2' ' HB3' ' A' ' 10' ' ' HIS . 0.7 OUTLIER -63.96 -48.63 75.71 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.453 -0.794 . . . . 0.0 111.826 -175.388 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.661 ' HB2' ' OE2' ' A' ' 26' ' ' GLU . 1.2 p -88.51 -33.9 17.6 Favored 'General case' 0 CA--C 1.535 0.403 0 N-CA-C 111.868 0.322 . . . . 0.0 111.868 -176.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.403 ' H ' ' HB2' ' A' ' 21' ' ' CYS . . . 103.62 -18.47 47.47 Favored Glycine 0 CA--C 1.524 0.623 0 C-N-CA 120.351 -0.928 . . . . 0.0 115.271 169.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.661 ' OE2' ' HB2' ' A' ' 24' ' ' CYS . 18.5 mp0 -60.25 158.93 10.65 Favored 'General case' 0 N--CA 1.472 0.646 0 CA-C-N 117.947 0.873 . . . . 0.0 111.103 -177.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -115.51 129.86 56.68 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 174.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 58.1 mt -116.43 129.52 72.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.642 -176.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -87.17 144.52 26.8 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.207 -0.664 . . . . 0.0 109.207 175.29 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 68.0 mtp -126.81 149.49 49.66 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.001 0.429 . . . . 0.0 110.988 -177.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -108.98 130.7 55.47 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.218 -175.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.4 119.46 31.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.832 0.349 . . . . 0.0 111.152 -177.421 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 79.4 mt -113.13 139.8 48.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.507 178.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.517 ' HB2' HD21 ' A' ' 41' ' ' LEU . 49.8 t -76.36 118.78 73.84 Favored Pre-proline 0 C--N 1.322 -0.587 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 74.2 Cg_exo -49.72 -43.41 40.3 Favored 'Trans proline' 0 N--CA 1.477 0.546 0 C-N-CA 123.166 2.577 . . . . 0.0 114.021 -171.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.1 -72.25 0.15 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 112.643 0.609 . . . . 0.0 112.643 -178.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.5 p -74.69 -14.67 60.77 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.932 0.396 . . . . 0.0 111.612 -177.498 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 62.72 18.29 10.51 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.951 0.9 . . . . 0.0 111.976 178.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.419 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 74.4 mt-30 -105.98 157.0 35.76 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.163 176.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.419 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 21.5 Cg_endo -60.3 156.36 41.1 Favored 'Trans proline' 0 C--N 1.345 0.372 0 C-N-CA 123.231 2.62 . . . . 0.0 113.695 -174.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.56 HD13 ' HB3' ' A' ' 52' ' ' TYR . 89.1 mt -99.33 150.83 21.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.109 179.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 49.0 tp60 -79.34 113.35 17.42 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.541 176.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.7 t -74.35 109.64 7.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.947 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.563 HD11 ' HB2' ' A' ' 53' ' ' PHE . 87.5 mt -86.29 91.65 8.55 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.637 -178.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 23.4 ttmm -84.39 87.51 7.22 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 174.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -99.18 -169.93 1.84 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.781 -176.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 60.0 m -75.33 86.93 2.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.988 0.423 . . . . 0.0 111.204 -178.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 89.76 -7.01 82.63 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.912 -0.661 . . . . 0.0 112.553 176.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.96 131.38 51.09 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 120.799 0.333 . . . . 0.0 110.775 -178.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.512 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 59.7 t -123.79 115.91 46.53 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.668 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 177.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -133.67 -173.8 3.34 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.281 -176.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.56 ' HB3' HD13 ' A' ' 41' ' ' LEU . 84.9 m-85 -129.11 118.26 22.19 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.437 0.636 . . . . 0.0 111.551 -175.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.563 ' HB2' HD11 ' A' ' 44' ' ' LEU . 88.4 t80 -107.18 132.23 53.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.335 -0.848 . . . . 0.0 110.077 179.406 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.58 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 51.7 t -80.86 89.25 5.84 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 177.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.508 ' O ' ' HB2' ' A' ' 56' ' ' HIS . 5.5 tm0? -75.8 101.51 5.12 Favored 'General case' 0 N--CA 1.447 -0.58 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.508 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 2.1 t-80 164.44 -27.84 0.0 OUTLIER 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 113.947 -1.479 . . . . 0.0 107.862 -170.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.82 51.87 0.25 Allowed Glycine 0 C--N 1.333 0.367 0 CA-C-N 115.183 -0.917 . . . . 0.0 113.119 175.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.58 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 37.2 m170 -132.13 -8.85 3.41 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 117.204 0.502 . . . . 0.0 111.42 175.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.03 -161.97 38.41 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.356 -0.926 . . . . 0.0 111.065 -177.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 7.2 mp -80.95 150.79 28.83 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 117.223 0.511 . . . . 0.0 110.377 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 47.0 mm -120.21 144.05 30.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.681 -178.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.5 m -65.51 121.24 14.45 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 176.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.531 ' HB3' ' HD2' ' A' ' 52' ' ' TYR . 14.5 pttm -73.19 -5.75 41.3 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -172.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' A' ' 64' ' ' LYS . 46.7 mtpt -100.63 6.57 44.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.173 0.511 . . . . 0.0 110.222 171.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.424 HH11 ' HD2' ' A' ' 65' ' ' ARG . 13.1 ttt180 -124.0 14.45 9.18 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.609 0.719 . . . . 0.0 109.453 -177.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.0 p -98.3 155.07 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.338 -176.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -93.63 116.73 29.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.802 0.334 . . . . 0.0 110.112 179.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -97.23 130.41 44.45 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.021 0.439 . . . . 0.0 111.019 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.1 m -121.13 179.59 2.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.802 -0.636 . . . . 0.0 109.573 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 94.5 mt -78.24 143.9 36.69 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.709 0.29 . . . . 0.0 110.819 -179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.12 0 CA-C-O 118.756 -0.64 . . . . 0.0 110.0 176.544 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.2 mtt . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 109.617 -0.512 . . . . 0.0 109.617 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -132.1 169.26 16.62 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 -177.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.5 mt -75.77 124.93 28.11 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 171.429 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.3 m-70 -117.21 156.06 28.35 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.439 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 2.9 p -93.5 114.47 63.02 Favored Pre-proline 0 C--O 1.216 -0.692 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.832 -174.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.439 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 36.8 Cg_exo -60.83 -18.54 57.1 Favored 'Trans proline' 0 N--CA 1.474 0.372 0 C-N-CA 122.896 2.398 . . . . 0.0 113.267 -175.451 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 26.9 mt-30 -83.94 -36.44 23.26 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.324 0.49 . . . . 0.0 112.324 -176.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -135.39 2.44 2.99 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 111.92 0.341 . . . . 0.0 111.92 -173.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 45.89 84.05 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 C-N-CA 124.571 1.148 . . . . 0.0 113.692 175.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -162.28 -177.94 6.01 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 114.914 -1.039 . . . . 0.0 108.767 171.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.4 p -72.36 134.99 28.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.504 0.669 . . . . 0.0 112.474 -173.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.706 HD21 HD12 ' A' ' 28' ' ' ILE . 18.0 mt -104.7 50.38 0.79 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.079 -0.964 . . . . 0.0 110.121 174.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -67.56 101.5 1.01 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.966 0.412 . . . . 0.0 109.94 -178.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.552 ' HB3' ' HA ' ' A' ' 19' ' ' ALA . 10.1 pt20 -87.16 144.87 26.65 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.265 -176.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.61 -52.9 8.26 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.53 -178.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 46.1 t30 -169.15 101.84 0.36 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.063 177.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 82.24 -53.52 4.78 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.932 -0.651 . . . . 0.0 112.54 178.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -88.69 124.89 34.54 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.699 0.285 . . . . 0.0 110.697 178.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.552 ' HA ' ' HB3' ' A' ' 14' ' ' GLN . . . -96.45 152.82 18.25 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.437 178.244 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 74.3 ttt180 -142.95 140.58 31.17 Favored 'General case' 0 C--N 1.317 -0.826 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.044 177.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.69 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 86.7 m -69.25 92.78 0.58 Allowed 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 108.975 -0.75 . . . . 0.0 108.975 170.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 9.4 ttt180 -60.51 -48.53 81.37 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.766 0.317 . . . . 0.0 111.225 -172.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 1.2 m -71.14 -36.82 72.23 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.26 -179.207 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.69 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 2.3 m -79.5 -49.41 12.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.216 -174.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 119.26 -30.27 5.87 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 121.136 -0.554 . . . . 0.0 112.709 -177.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.1 156.82 35.64 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.949 0.404 . . . . 0.0 111.633 -175.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -99.19 151.74 20.66 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.458 179.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.706 HD12 HD21 ' A' ' 12' ' ' LEU . 51.2 mt -137.17 120.12 20.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.891 0.377 . . . . 0.0 110.223 176.267 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -74.88 139.63 43.27 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.498 179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 83.7 mtp -128.13 155.17 44.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.187 177.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 7.6 mtpm? -118.84 138.16 52.92 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.137 -174.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.443 ' HB1' HG11 ' A' ' 66' ' ' VAL . . . -92.71 119.1 31.76 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.702 179.308 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 97.0 mt -126.67 160.81 29.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.078 0.465 . . . . 0.0 111.251 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.493 ' HB2' HD21 ' A' ' 41' ' ' LEU . 48.3 t -77.65 124.49 86.54 Favored Pre-proline 0 C--N 1.325 -0.491 0 N-CA-C 108.879 -0.785 . . . . 0.0 108.879 172.541 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -50.81 -41.54 54.6 Favored 'Trans proline' 0 CA--C 1.531 0.362 0 C-N-CA 123.418 2.745 . . . . 0.0 113.433 -174.636 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.0 -78.35 0.1 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.561 0.578 . . . . 0.0 112.561 -177.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 p -72.09 -14.54 61.88 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -173.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 19.3 m80 59.05 25.05 13.39 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 121.297 0.57 . . . . 0.0 111.628 -179.24 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -89.86 152.61 46.79 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-N 115.685 -0.689 . . . . 0.0 110.062 174.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -60.52 130.15 32.42 Favored 'Trans proline' 0 N--CA 1.464 -0.215 0 C-N-CA 122.866 2.378 . . . . 0.0 112.062 178.003 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.527 HD13 ' HB3' ' A' ' 52' ' ' TYR . 97.5 mt -80.53 142.54 34.06 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.375 178.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -83.67 122.35 28.5 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.818 177.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.0 t -74.44 110.72 9.11 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.262 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 49.6 mt -87.43 106.53 18.03 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.349 178.319 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -94.77 93.46 7.51 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.513 -179.531 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -97.0 -176.45 3.55 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.158 179.222 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 6.6 p -83.01 81.74 8.54 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.203 0.525 . . . . 0.0 110.763 179.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 123.74 -38.65 2.38 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.574 -0.822 . . . . 0.0 112.952 177.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -126.19 146.37 50.0 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.178 0.513 . . . . 0.0 111.858 -173.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 94.4 t -117.07 128.14 74.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.748 177.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -125.39 167.87 14.35 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.998 0.427 . . . . 0.0 110.89 179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.527 ' HB3' HD13 ' A' ' 41' ' ' LEU . 45.0 m-85 -114.02 114.25 25.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.202 -175.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 60.4 t80 -101.01 130.72 47.05 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.831 -176.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.587 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 50.8 t -87.24 89.52 8.03 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 177.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.5 tt0 -67.54 95.24 0.46 Allowed 'General case' 0 N--CA 1.451 -0.397 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.872 179.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER 172.22 -40.86 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 114.446 -1.252 . . . . 0.0 108.384 -175.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 138.09 46.07 0.07 OUTLIER Glycine 0 N--CA 1.449 -0.487 0 CA-C-N 115.09 -0.959 . . . . 0.0 112.724 178.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.587 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 35.8 m170 -126.94 -1.15 6.58 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 117.006 0.403 . . . . 0.0 111.14 176.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 72.42 -135.39 22.22 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.241 178.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 74.4 mt -96.66 132.01 42.76 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.075 0.464 . . . . 0.0 111.112 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 51.4 mm -95.14 128.61 46.18 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.206 175.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 31.6 m -56.94 142.67 40.76 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.541 179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 55.4 mttm -57.21 -38.22 73.41 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.985 -171.766 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -84.79 -9.63 57.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.936 0.398 . . . . 0.0 110.609 -178.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 68.0 ttt180 -89.43 -16.35 31.09 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.5 -177.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.443 HG11 ' HB1' ' A' ' 32' ' ' ALA . 96.3 t -58.56 129.86 21.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.389 178.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -87.78 109.74 19.96 Favored 'General case' 0 N--CA 1.448 -0.554 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 179.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -91.27 112.01 23.74 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.378 -178.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 32.1 m -104.2 169.53 2.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.717 -179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 91.9 mt -82.06 148.72 28.44 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.561 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.976 0 CA-C-O 118.521 -0.752 . . . . 0.0 110.337 177.089 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.2 mmm . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 121.161 0.505 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.6 mp0 -117.36 81.96 1.74 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.901 -176.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 42.1 tp -72.81 125.04 26.6 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 178.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -80.87 151.34 28.69 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.63 -177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.514 ' HB2' ' N ' ' A' ' 9' ' ' GLN . 55.6 m -74.73 125.62 89.36 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.875 179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -54.81 -42.15 71.47 Favored 'Trans proline' 0 C--N 1.343 0.268 0 C-N-CA 122.516 2.144 . . . . 0.0 112.105 177.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -92.77 -68.68 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.019 178.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -79.79 13.62 2.07 Favored 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -170.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.514 ' N ' ' HB2' ' A' ' 5' ' ' CYS . 33.8 mm-40 68.57 -69.8 0.14 Allowed 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 114.786 1.402 . . . . 0.0 114.786 168.22 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 4.5 t-80 -46.3 -97.19 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 115.134 1.531 . . . . 0.0 115.134 -160.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 99.2 t -143.52 140.75 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 O-C-N 121.75 -0.594 . . . . 0.0 111.881 -170.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.434 HD21 HD12 ' A' ' 28' ' ' ILE . 96.0 mt -106.22 163.96 12.39 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.391 173.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.651 ' HB2' ' HG2' ' A' ' 22' ' ' ARG . 36.2 t70 -139.54 108.1 5.89 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.099 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.7 mp0 -103.3 130.01 50.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.234 -177.518 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -136.06 -78.45 0.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.252 171.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -93.11 49.65 1.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.929 -176.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 80.45 -37.79 2.25 Favored Glycine 0 CA--C 1.517 0.168 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.445 178.498 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -79.99 143.13 34.39 Favored 'General case' 0 C--N 1.323 -0.56 0 O-C-N 122.767 -0.255 . . . . 0.0 110.376 177.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -113.64 107.86 16.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.486 -179.056 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.425 ' CD ' ' HD1' ' A' ' 27' ' ' PHE . 46.7 mmm-85 -95.99 127.81 42.33 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.941 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.652 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 99.1 m -74.13 90.0 2.02 Favored 'General case' 0 C--N 1.316 -0.849 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.17 176.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.651 ' HG2' ' HB2' ' A' ' 13' ' ' ASP . 12.5 ptt180 -82.32 57.47 3.65 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-O 121.85 0.833 . . . . 0.0 109.994 176.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 56.4 m -165.28 -54.62 0.03 OUTLIER 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.372 -1.285 . . . . 0.0 108.491 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.652 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.1 OUTLIER -93.82 -51.71 4.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.91 -1.041 . . . . 0.0 110.913 178.781 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 136.25 -22.35 3.4 Favored Glycine 0 CA--C 1.526 0.734 0 C-N-CA 120.349 -0.929 . . . . 0.0 114.584 173.597 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.581 ' OE2' ' HB2' ' A' ' 24' ' ' CYS . 9.8 mp0 -56.92 156.18 7.08 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 -172.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.425 ' HD1' ' CD ' ' A' ' 20' ' ' ARG . 51.0 t80 -110.1 112.92 25.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 114.986 -1.007 . . . . 0.0 109.571 172.353 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.434 HD12 HD21 ' A' ' 12' ' ' LEU . 64.5 mt -116.05 139.77 41.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.919 0.39 . . . . 0.0 110.125 179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 -114.96 134.88 54.8 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.981 0.419 . . . . 0.0 110.19 178.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.469 ' HG2' HD23 ' A' ' 70' ' ' LEU . 74.3 mtp -113.84 119.19 36.48 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 177.186 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -74.52 131.95 41.44 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.415 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -90.16 101.47 14.19 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.965 175.436 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.4 mt -111.41 162.05 15.47 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.741 -176.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.49 ' HB2' HD21 ' A' ' 41' ' ' LEU . 40.5 t -78.55 111.11 16.71 Favored Pre-proline 0 C--N 1.327 -0.372 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.438 ' HG2' ' O ' ' A' ' 65' ' ' ARG . 53.2 Cg_exo -56.25 -23.6 46.53 Favored 'Trans proline' 0 N--CA 1.476 0.485 0 C-N-CA 123.414 2.742 . . . . 0.0 114.117 -171.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -75.51 -24.0 56.77 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 120.615 0.245 . . . . 0.0 111.371 -176.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.8 p -135.25 -11.83 2.16 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.744 0.646 . . . . 0.0 112.744 -175.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 35.1 m80 59.88 23.93 12.97 Favored 'General case' 0 N--CA 1.467 0.375 0 C-N-CA 122.827 0.451 . . . . 0.0 111.381 -176.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -96.38 150.82 37.58 Favored Pre-proline 0 C--O 1.237 0.432 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 175.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_exo -56.96 139.75 90.5 Favored 'Trans proline' 0 C--O 1.237 0.443 0 C-N-CA 123.209 2.606 . . . . 0.0 113.502 -177.277 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.549 HD13 ' HB3' ' A' ' 52' ' ' TYR . 52.5 mt -92.13 152.28 19.99 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.905 178.7 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -95.57 113.67 25.34 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 174.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.6 t -75.8 101.6 2.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.009 -0.541 . . . . 0.0 111.368 -175.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.541 ' HB2' ' HB2' ' A' ' 51' ' ' ASP . 78.0 mt -87.58 89.19 7.9 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.72 176.521 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 60.9 tttm -112.36 112.07 23.38 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 116.438 -0.347 . . . . 0.0 110.558 -178.01 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -87.49 -49.26 7.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.678 179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 53.5 t -162.8 -74.68 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.74 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -105.47 -18.44 11.88 Favored Glycine 0 N--CA 1.449 -0.477 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 177.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -95.52 138.53 33.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.378 -0.411 . . . . 0.0 110.347 177.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.5 p -138.44 124.75 25.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.131 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.541 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 6.1 m-20 -113.78 134.99 54.44 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.126 -178.387 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.549 ' HB3' HD13 ' A' ' 41' ' ' LEU . 82.3 m-85 -89.16 102.33 14.98 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.689 -0.485 . . . . 0.0 109.689 177.134 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -100.66 116.81 33.45 Favored 'General case' 0 C--N 1.317 -0.812 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.481 -178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.537 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 41.8 t -78.25 88.76 4.3 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 176.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -71.9 94.98 1.49 Allowed 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.523 -179.481 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 177.47 -31.3 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 114.146 -1.388 . . . . 0.0 108.073 -173.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 125.76 49.66 0.19 Allowed Glycine 0 N--CA 1.447 -0.621 0 CA-C-N 115.037 -0.983 . . . . 0.0 112.415 178.441 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.537 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 39.3 m170 -128.97 -26.94 2.57 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.957 0.378 . . . . 0.0 111.275 177.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 102.13 -155.39 18.63 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.436 -0.888 . . . . 0.0 112.919 178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.492 HD22 ' HB3' ' A' ' 51' ' ' ASP . 96.1 mt -91.09 137.81 32.08 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.08 0.467 . . . . 0.0 111.563 -176.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 46.2 mm -113.26 140.56 32.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 115.502 -0.772 . . . . 0.0 110.025 178.369 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.7 m -69.56 161.18 30.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.173 179.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.447 ' HA ' ' CE2' ' A' ' 52' ' ' TYR . 62.1 tttm -76.84 -24.23 52.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.159 0.504 . . . . 0.0 110.31 -178.143 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -84.08 -7.2 59.45 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.505 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' A' ' 35' ' ' PRO . 32.8 ttm180 -118.31 24.82 10.71 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.42 -170.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.415 HG21 ' HB1' ' A' ' 32' ' ' ALA . 13.9 p -98.87 153.65 4.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.647 -177.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -97.81 123.88 41.95 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 110.049 -0.352 . . . . 0.0 110.049 178.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -107.34 112.0 24.62 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.773 0.321 . . . . 0.0 110.468 176.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.9 m -112.94 142.85 24.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.913 179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.469 HD23 ' HG2' ' A' ' 30' ' ' MET . 95.2 mt -72.99 135.62 44.99 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.94 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.151 0 CA-C-O 118.484 -0.769 . . . . 0.0 110.279 175.883 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.6 mtm . . . . . 0 N--CA 1.483 1.211 0 N-CA-C 111.669 0.248 . . . . 0.0 111.669 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -56.24 112.37 1.21 Allowed 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.105 0.478 . . . . 0.0 112.033 -176.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.5 mt -79.84 153.63 28.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.783 -0.644 . . . . 0.0 109.952 173.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 35.3 m80 -114.4 162.73 16.27 Favored 'General case' 0 C--N 1.32 -0.712 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 178.632 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 6.3 t -82.85 103.78 2.87 Favored Pre-proline 0 C--N 1.321 -0.66 0 N-CA-C 108.495 -0.928 . . . . 0.0 108.495 -176.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 85.6 Cg_exo -45.95 -41.62 20.6 Favored 'Trans proline' 0 N--CA 1.476 0.493 0 C-N-CA 123.672 2.915 . . . . 0.0 114.839 -165.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -76.31 -45.82 30.63 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -172.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.3 p -104.97 -4.69 21.77 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.877 0.325 . . . . 0.0 111.877 -173.601 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.457 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 16.0 mm-40 46.51 73.49 0.18 Allowed 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 123.759 0.824 . . . . 0.0 112.371 -176.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.0 m80 -138.11 166.25 24.59 Favored 'General case' 0 C--N 1.316 -0.873 0 CA-C-N 115.139 -0.937 . . . . 0.0 108.768 175.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.6 p -64.4 131.62 30.13 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-O 121.325 0.583 . . . . 0.0 111.724 -177.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.486 ' HB3' ' HB1' ' A' ' 19' ' ' ALA . 82.4 mt -97.97 101.43 12.91 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 168.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -65.93 109.73 2.63 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 120.817 0.342 . . . . 0.0 111.491 -176.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.7 mp0 -77.06 95.6 4.24 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 171.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -106.02 -89.79 0.43 Allowed 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.372 -178.457 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -136.4 115.83 12.74 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.39 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 89.48 -67.65 2.77 Favored Glycine 0 N--CA 1.447 -0.572 0 C-N-CA 120.614 -0.803 . . . . 0.0 113.3 174.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.465 ' HB3' ' HA ' ' A' ' 29' ' ' GLU . 23.8 m-70 -127.45 170.94 12.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 117.048 0.424 . . . . 0.0 111.031 -175.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.486 ' HB1' ' HB3' ' A' ' 12' ' ' LEU . . . -97.59 147.16 24.57 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.47 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.562 ' HA ' ' HD1' ' A' ' 27' ' ' PHE . 41.4 mtp180 -130.79 131.07 44.45 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.551 -177.362 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.8 t -103.93 94.89 5.65 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 176.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.472 ' O ' ' HB2' ' A' ' 23' ' ' SER . 2.8 ptp85 -68.5 88.9 0.34 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.508 -179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.472 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 34.0 t 171.08 -58.14 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.172 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.53 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.891 ' SG ' ' HB3' ' A' ' 26' ' ' GLU . 9.0 p -94.02 -14.32 25.98 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 113.242 0.83 . . . . 0.0 113.242 -169.007 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.48 2.53 63.83 Favored Glycine 0 C--O 1.229 -0.182 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -172.009 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.891 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 0.8 OUTLIER -95.28 104.58 16.48 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 114.233 -0.984 . . . . 0.0 108.874 -179.627 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.562 ' HD1' ' HA ' ' A' ' 20' ' ' ARG . 61.7 m-85 -109.3 140.18 43.3 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.448 -0.796 . . . . 0.0 110.499 -174.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.489 HG21 HD22 ' A' ' 70' ' ' LEU . 43.0 mm -106.77 111.8 37.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 176.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 29' ' ' GLU . 0.6 OUTLIER -71.63 119.2 15.44 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.432 0.634 . . . . 0.0 110.124 -178.424 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.498 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 46.4 mtt -85.08 113.87 21.8 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.588 174.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' NZ ' ' HB2' ' A' ' 31' ' ' LYS . 4.2 ttmp? -87.07 130.56 34.44 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.965 -0.561 . . . . 0.0 109.81 -178.155 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.471 ' HB1' HG21 ' A' ' 66' ' ' VAL . . . -81.32 103.15 10.88 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.624 -174.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 74.9 mt -109.9 155.37 21.79 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.816 176.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.456 ' HB2' HD21 ' A' ' 41' ' ' LEU . 42.3 t -76.92 131.41 73.31 Favored Pre-proline 0 C--N 1.321 -0.663 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 175.8 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.82 -34.75 66.84 Favored 'Trans proline' 0 CA--C 1.53 0.323 0 C-N-CA 123.124 2.549 . . . . 0.0 113.244 -175.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.32 -82.78 0.19 Allowed 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -178.529 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 p -64.52 -19.42 65.59 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -175.466 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.448 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 19.5 m170 64.35 18.05 11.11 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 177.44 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.442 HE21 ' HB3' ' A' ' 39' ' ' GLN . 20.9 mt-30 -80.58 146.69 61.49 Favored Pre-proline 0 C--N 1.325 -0.466 0 N-CA-C 109.595 -0.52 . . . . 0.0 109.595 171.418 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_endo -59.16 124.48 15.71 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.721 2.281 . . . . 0.0 111.432 176.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.456 HD21 ' HB2' ' A' ' 34' ' ' CYS . 79.9 mt -66.95 142.8 57.14 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.073 -177.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 8.5 tp-100 -73.89 115.55 13.46 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.933 -178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.6 t -74.04 97.88 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.463 -179.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.517 HD11 ' HB2' ' A' ' 53' ' ' PHE . 70.2 mt -83.36 95.98 8.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.35 -179.048 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -90.35 92.46 8.91 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.056 0.455 . . . . 0.0 109.887 176.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -94.15 84.69 4.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.037 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 61.7 m 66.06 -78.55 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.38 179.584 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -123.99 -5.86 7.29 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.861 -0.685 . . . . 0.0 112.383 -179.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.62 148.62 26.34 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.58 0.229 . . . . 0.0 110.777 -179.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 66.8 t -127.74 115.36 39.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.773 0.321 . . . . 0.0 110.689 -179.096 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -114.65 160.69 19.04 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.362 178.399 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.438 ' HB3' HD13 ' A' ' 41' ' ' LEU . 91.6 m-85 -117.35 109.36 16.72 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 176.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.517 ' HB2' HD11 ' A' ' 44' ' ' LEU . 56.3 t80 -107.07 134.88 49.54 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 120.918 0.39 . . . . 0.0 111.331 -175.588 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.449 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 42.8 t -94.42 93.06 7.45 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 175.504 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.4 tt0 -68.45 95.34 0.61 Allowed 'General case' 0 CA--C 1.52 -0.208 0 CA-C-O 121.471 0.653 . . . . 0.0 109.745 179.386 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.1 m-70 176.01 -28.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 114.017 -1.447 . . . . 0.0 108.074 -174.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.69 33.25 1.02 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.196 -0.911 . . . . 0.0 112.817 177.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.449 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 38.4 m170 -110.19 -3.28 16.41 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.402 -0.469 . . . . 0.0 110.893 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.32 -164.59 35.03 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.825 175.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.5 mp -93.85 120.65 34.38 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.657 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.449 HG23 ' HB3' ' A' ' 65' ' ' ARG . 70.0 mt -92.5 124.56 44.99 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.727 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.785 -176.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 11.8 m -69.36 160.89 30.45 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.015 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -62.96 -21.12 65.87 Favored 'General case' 0 N--CA 1.467 0.386 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -175.095 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 49.7 mtmt -96.57 -8.42 31.9 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.881 0.372 . . . . 0.0 110.74 179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.449 ' HB3' HG23 ' A' ' 61' ' ' ILE . 32.5 ttt180 -103.84 -6.15 21.67 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.225 0.536 . . . . 0.0 110.263 -172.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.471 HG21 ' HB1' ' A' ' 32' ' ' ALA . 7.2 p -87.3 151.14 3.6 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.436 -0.802 . . . . 0.0 110.602 -177.496 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -92.54 115.42 28.09 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 176.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.498 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 45.4 m-85 -93.51 123.47 36.84 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.65 178.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.458 ' O ' ' HA ' ' A' ' 30' ' ' MET . 33.4 m -110.55 160.4 9.73 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.005 175.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.489 HD22 HG21 ' A' ' 28' ' ' ILE . 60.3 mt -84.48 93.39 8.31 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 110.174 -0.306 . . . . 0.0 110.174 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.943 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.975 -179.04 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.3 mtt . . . . . 0 N--CA 1.48 1.044 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.593 ' HB3' ' CE1' ' A' ' 4' ' ' HIS . 43.0 mt-10 -79.7 71.83 6.36 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.901 0.381 . . . . 0.0 111.594 -179.094 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 84.8 mt -81.27 103.76 11.27 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 174.362 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.723 ' HB3' ' OE1' ' A' ' 9' ' ' GLN . 35.7 m80 -103.99 160.53 14.75 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.154 0.502 . . . . 0.0 111.547 -174.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.46 ' HB3' ' OE1' ' A' ' 26' ' ' GLU . 4.3 m -96.53 133.89 24.09 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.461 178.188 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 30.7 Cg_endo -66.19 -31.61 44.4 Favored 'Trans proline' 0 CA--C 1.532 0.382 0 C-N-CA 122.251 1.967 . . . . 0.0 112.455 177.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -97.55 -49.13 5.0 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -177.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.2 p -120.38 76.84 1.21 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.321 0.581 . . . . 0.0 110.361 -177.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.723 ' OE1' ' HB3' ' A' ' 4' ' ' HIS . 16.9 mm-40 -46.64 112.57 0.52 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 114.603 -1.181 . . . . 0.0 112.975 -179.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.705 ' HD2' HG12 ' A' ' 11' ' ' VAL . 8.0 t60 -165.95 -78.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.615 -0.72 . . . . 0.0 109.077 172.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.705 HG12 ' HD2' ' A' ' 10' ' ' HIS . 7.2 p -170.4 143.32 0.63 Allowed 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.171 0.51 . . . . 0.0 111.31 177.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.3 mt -105.21 140.05 38.95 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.099 172.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.644 ' HB2' ' HB2' ' A' ' 22' ' ' ARG . 38.7 t70 -94.28 141.88 28.05 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 177.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.424 ' HA ' HE21 ' A' ' 14' ' ' GLN . 0.1 OUTLIER -121.4 103.26 8.82 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.907 0.384 . . . . 0.0 111.43 -175.187 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 11.4 p-10 -119.04 -35.21 3.68 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.444 0.64 . . . . 0.0 109.944 174.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.403 ' C ' ' H ' ' A' ' 18' ' ' HIS . 31.1 m-80 -131.79 -164.1 1.41 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.421 -0.808 . . . . 0.0 109.054 176.013 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -80.69 30.0 2.59 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.675 -0.774 . . . . 0.0 111.275 174.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.403 ' H ' ' C ' ' A' ' 16' ' ' ASN . 32.3 m170 -131.97 120.72 22.85 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 108.707 -0.849 . . . . 0.0 108.707 179.287 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -92.01 100.28 12.96 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.219 0.533 . . . . 0.0 110.816 -175.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.9 mtt180 -99.31 129.05 45.5 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.215 177.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.535 ' HB2' ' H ' ' A' ' 26' ' ' GLU . 58.3 m -69.64 106.97 3.24 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.166 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.644 ' HB2' ' HB2' ' A' ' 13' ' ' ASP . 0.6 OUTLIER -81.18 47.07 0.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.467 0.651 . . . . 0.0 109.266 176.396 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 10.3 p -174.88 -73.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.868 -177.536 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.481 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -69.65 -19.07 63.62 Favored 'General case' 0 CA--C 1.537 0.475 0 N-CA-C 112.786 0.662 . . . . 0.0 112.786 -175.304 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.6 29.82 46.91 Favored Glycine 0 CA--C 1.52 0.399 0 C-N-CA 120.668 -0.777 . . . . 0.0 113.793 174.414 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.535 ' H ' ' HB2' ' A' ' 21' ' ' CYS . 0.4 OUTLIER -103.3 151.66 22.44 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.934 -0.395 . . . . 0.0 109.934 177.473 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 29.1 p90 -115.06 125.42 53.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.004 0.43 . . . . 0.0 110.758 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 57.9 mt -132.48 147.7 31.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 176.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.518 ' HG3' ' HB3' ' A' ' 71' ' ' ALA . 10.0 pt-20 -117.13 148.38 41.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-O 121.061 0.458 . . . . 0.0 110.194 174.498 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.457 ' HB3' ' HB3' ' A' ' 68' ' ' PHE . 77.9 mtp -108.71 112.05 24.14 Favored 'General case' 0 C--N 1.316 -0.859 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 177.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.507 ' HE2' HD21 ' A' ' 33' ' ' LEU . 80.9 tttt -74.17 119.37 18.28 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.452 -171.074 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.45 96.33 6.03 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.927 -178.131 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.507 HD21 ' HE2' ' A' ' 31' ' ' LYS . 84.7 mt -110.24 160.54 16.43 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.975 -178.278 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.512 ' HB2' HD21 ' A' ' 41' ' ' LEU . 45.3 t -87.74 120.36 70.91 Favored Pre-proline 0 C--N 1.321 -0.637 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 172.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_endo -56.18 -21.66 36.62 Favored 'Trans proline' 0 CA--C 1.532 0.394 0 C-N-CA 123.297 2.664 . . . . 0.0 114.232 -171.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -92.51 -13.79 29.33 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -176.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.45 ' SG ' ' HB3' ' A' ' 34' ' ' CYS . 3.6 p -140.47 -2.22 1.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -176.447 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.8 p-80 52.2 13.32 0.27 Allowed 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 124.386 1.074 . . . . 0.0 113.232 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.413 ' HA ' ' HD3' ' A' ' 40' ' ' PRO . 21.7 mt-30 -89.15 147.12 37.74 Favored Pre-proline 0 C--O 1.238 0.475 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 177.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 39' ' ' GLN . 32.1 Cg_exo -59.02 127.35 23.92 Favored 'Trans proline' 0 C--O 1.233 0.27 0 C-N-CA 123.141 2.561 . . . . 0.0 112.189 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.545 HD13 ' HB3' ' A' ' 52' ' ' TYR . 88.7 mt -70.27 133.76 47.33 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.542 177.601 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -66.2 109.2 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.786 178.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.8 t -75.07 101.58 2.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.102 179.582 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.479 HD12 ' HB2' ' A' ' 51' ' ' ASP . 84.1 mt -77.83 86.47 4.07 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.803 178.39 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 62.7 tttp -90.49 92.22 8.78 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.372 179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -102.79 20.67 16.9 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.628 -173.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.7 m 66.53 88.68 0.11 Allowed 'General case' 0 N--CA 1.464 0.268 0 O-C-N 123.66 0.6 . . . . 0.0 111.016 -178.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.8 -24.58 30.26 Favored Glycine 0 N--CA 1.448 -0.539 0 C-N-CA 120.747 -0.74 . . . . 0.0 111.524 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -120.41 136.01 54.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.469 -0.365 . . . . 0.0 110.033 178.688 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 84.3 t -135.97 114.03 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 123.326 0.391 . . . . 0.0 110.386 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.479 ' HB2' HD12 ' A' ' 44' ' ' LEU . 44.9 m-20 -122.13 154.68 37.08 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.243 177.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.545 ' HB3' HD13 ' A' ' 41' ' ' LEU . 95.1 m-85 -107.79 109.84 21.5 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.662 -0.495 . . . . 0.0 109.662 177.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -106.48 133.88 50.48 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.923 0.392 . . . . 0.0 111.564 -174.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 44.3 t -111.63 103.18 11.47 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.492 176.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.1 tt0 -74.77 94.87 2.8 Favored 'General case' 0 N--CA 1.452 -0.329 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 175.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 1.2 m-70 -179.96 23.89 0.0 OUTLIER 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.829 -1.078 . . . . 0.0 108.759 -176.192 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 67.57 28.71 73.58 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.087 -175.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 41.4 m170 -111.53 -21.61 11.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.825 0.345 . . . . 0.0 110.824 -178.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.31 -149.5 35.65 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.979 -0.629 . . . . 0.0 112.771 176.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 9.5 mp -86.63 130.22 34.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.032 0.444 . . . . 0.0 110.823 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.6 mm -102.11 126.1 56.2 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.862 -0.608 . . . . 0.0 110.256 -179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.8 m -62.79 142.75 58.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.097 177.648 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.471 ' HA ' HG23 ' A' ' 66' ' ' VAL . 37.3 ttpt -63.01 -31.96 73.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.706 0.289 . . . . 0.0 111.747 -171.505 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 63.5 tttm -75.98 -13.11 60.24 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.103 0.477 . . . . 0.0 110.476 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -102.17 -0.07 33.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.41 -179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.471 HG23 ' HA ' ' A' ' 63' ' ' LYS . 89.0 t -74.34 139.82 18.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.459 -179.28 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -86.11 104.73 15.97 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.568 -0.53 . . . . 0.0 109.568 178.531 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.457 ' HB3' ' HB3' ' A' ' 30' ' ' MET . 96.0 m-85 -96.03 109.56 21.94 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.24 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.9 m -100.51 150.24 5.69 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.817 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.177 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 13.4 tp -82.03 107.16 14.51 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.208 -175.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.518 ' HB3' ' HG3' ' A' ' 29' ' ' GLU . . . . . . . . 0 C--O 1.246 0.905 0 CA-C-O 118.724 -0.655 . . . . 0.0 110.638 -178.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 mpp? . . . . . 0 N--CA 1.485 1.325 0 CA-C-O 120.899 0.38 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.501 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 0.5 OUTLIER -103.24 97.43 7.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.368 0.604 . . . . 0.0 110.076 177.511 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.4 mp -85.84 163.77 17.92 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.369 -178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -112.97 153.17 28.46 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.165 178.031 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 21' ' ' CYS . 15.8 t -74.84 117.76 65.02 Favored Pre-proline 0 C--N 1.325 -0.463 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 178.719 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 80.7 Cg_exo -45.66 -33.09 9.47 Favored 'Trans proline' 0 N--CA 1.475 0.402 0 C-N-CA 123.656 2.904 . . . . 0.0 114.452 -170.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -90.87 -73.62 0.53 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.0 0.429 . . . . 0.0 111.392 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 6.9 p -85.33 2.27 44.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.929 -0.578 . . . . 0.0 112.445 -171.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.434 ' HA ' ' OE1' ' A' ' 9' ' ' GLN . 17.0 mm-40 62.37 -103.74 0.14 Allowed 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 122.96 0.504 . . . . 0.0 111.563 -178.686 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 52.6 -92.33 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 123.061 0.544 . . . . 0.0 111.046 -176.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 10.8 p -178.4 146.65 0.17 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.347 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 179.734 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.476 HD13 ' HB1' ' A' ' 19' ' ' ALA . 51.7 mt -97.7 99.82 11.19 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.154 174.681 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -89.18 91.05 8.63 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 175.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 40.7 mt-30 -73.16 126.79 30.86 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.869 -1.059 . . . . 0.0 111.352 -170.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 -65.98 -57.58 7.47 Favored 'General case' 0 CA--C 1.519 -0.225 0 CA-C-N 115.613 -0.721 . . . . 0.0 109.972 177.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 41.0 t-20 -173.03 -58.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.217 -0.902 . . . . 0.0 109.228 -179.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -116.43 15.43 15.03 Favored Glycine 0 C--O 1.228 -0.251 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.355 178.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.5 m170 -136.99 139.2 41.27 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 120.558 0.218 . . . . 0.0 110.575 179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.476 ' HB1' HD13 ' A' ' 12' ' ' LEU . . . -92.55 90.33 7.1 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 172.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.5 ttm105 -101.53 117.88 35.81 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.376 0.608 . . . . 0.0 111.412 -173.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 48.9 t -84.54 90.08 7.57 Favored 'General case' 0 N--CA 1.447 -0.623 0 N-CA-C 108.885 -0.783 . . . . 0.0 108.885 174.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.44 ' O ' ' HB2' ' A' ' 23' ' ' SER . 41.6 mtt180 -64.35 89.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.513 -176.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.44 ' HB2' ' O ' ' A' ' 22' ' ' ARG . 31.6 t 170.47 -53.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.279 -176.266 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.825 ' SG ' ' HB3' ' A' ' 26' ' ' GLU . 18.6 p -93.62 -16.63 24.15 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.798 -173.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 86.04 -37.8 3.08 Favored Glycine 0 N--CA 1.451 -0.356 0 N-CA-C 110.748 -0.941 . . . . 0.0 110.748 -172.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.825 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 2.6 tt0 -48.13 107.01 0.11 Allowed 'General case' 0 C--O 1.239 0.502 0 C-N-CA 124.076 0.95 . . . . 0.0 111.124 172.017 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 13.7 p90 -126.83 135.38 50.93 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.57 -0.741 . . . . 0.0 109.368 177.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 29' ' ' GLU . 54.3 mt -110.37 137.65 41.74 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.052 -173.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.433 ' O ' HG22 ' A' ' 28' ' ' ILE . 6.4 mp0 -72.94 155.62 39.68 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 173.278 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 67.0 mtp -121.94 136.35 54.92 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 -179.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.761 ' HE3' ' HA ' ' A' ' 71' ' ' ALA . 96.7 mttt -84.47 122.13 28.55 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.179 -177.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.31 94.73 7.99 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.261 178.012 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 69.2 mt -103.41 162.73 12.77 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.173 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.435 ' HB2' HD21 ' A' ' 41' ' ' LEU . 26.1 t -84.84 130.95 50.77 Favored Pre-proline 0 C--N 1.319 -0.74 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 176.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 15.6 Cg_endo -56.64 -34.9 96.76 Favored 'Trans proline' 0 C--N 1.343 0.284 0 C-N-CA 122.887 2.391 . . . . 0.0 112.837 -175.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.74 -75.66 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.205 -0.452 . . . . 0.0 112.123 -177.537 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.8 p -74.38 -10.16 59.3 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -174.421 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 12.2 m-70 64.14 5.98 2.71 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.633 0.605 . . . . 0.0 112.633 178.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -86.26 144.68 38.76 Favored Pre-proline 0 N--CA 1.446 -0.633 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 178.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 10.0 Cg_endo -53.54 143.23 56.97 Favored 'Trans proline' 0 C--O 1.234 0.297 0 C-N-CA 123.454 2.77 . . . . 0.0 113.342 -175.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.503 HD12 HG13 ' A' ' 66' ' ' VAL . 96.5 mt -91.83 137.4 32.39 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.245 178.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.476 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 35.9 tt0 -74.0 112.4 10.09 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.467 -0.568 . . . . 0.0 109.467 177.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.6 t -73.73 116.45 16.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.397 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.516 HD11 ' HB2' ' A' ' 53' ' ' PHE . 43.3 mt -107.04 92.77 4.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.329 -178.734 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 37.8 ttpt -97.18 110.06 22.69 Favored 'General case' 0 C--N 1.323 -0.579 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.052 176.081 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.99 89.16 2.91 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.466 -179.006 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.2 t 67.81 -71.54 0.1 Allowed 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.469 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -119.52 -44.47 0.47 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.866 -0.683 . . . . 0.0 112.714 -177.348 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -83.49 156.61 22.77 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.91 0.386 . . . . 0.0 111.215 -178.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.493 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 7.4 p -138.38 135.0 44.21 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.607 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.396 179.189 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -123.57 170.81 10.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.009 0.433 . . . . 0.0 110.382 177.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.442 ' HB3' HD13 ' A' ' 41' ' ' LEU . 84.3 m-85 -124.39 113.71 18.54 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 178.438 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.516 ' HB2' HD11 ' A' ' 44' ' ' LEU . 52.7 t80 -104.33 118.23 36.12 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.865 -171.494 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 36.8 t -95.94 94.39 7.58 Favored 'General case' 0 C--O 1.238 0.476 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.685 173.459 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -79.27 94.68 5.49 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -177.03 29.41 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.918 -1.037 . . . . 0.0 109.062 -175.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.18 18.07 77.08 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.361 -176.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . . . . . . . . . 60.6 m170 -109.18 -56.59 2.27 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 178.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.91 -141.97 15.83 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.327 -0.94 . . . . 0.0 112.589 175.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.6 mt -73.68 119.33 17.76 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.974 0.416 . . . . 0.0 111.181 -176.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 49.9 mm -93.61 136.64 24.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.631 177.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.8 t -62.21 140.88 58.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.385 178.33 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 65.5 tttm -64.36 -19.79 65.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.106 -177.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -89.85 -11.53 41.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.694 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 28.6 ttt180 -113.43 15.64 19.07 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.291 0.567 . . . . 0.0 110.539 -172.004 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.503 HG13 HD12 ' A' ' 41' ' ' LEU . 57.7 t -81.35 143.06 12.92 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.277 178.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -82.37 102.07 11.01 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 176.494 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.471 ' CZ ' ' HB ' ' A' ' 66' ' ' VAL . 84.1 m-85 -94.58 102.84 14.78 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.993 -176.045 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.421 ' CG2' ' HB2' ' A' ' 31' ' ' LYS . 34.7 m -109.11 157.98 9.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.172 176.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -71.51 150.09 45.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.337 -0.392 . . . . 0.0 109.997 179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.761 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.247 0.926 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.444 177.746 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 N--CA 1.483 1.182 0 N-CA-C 109.97 -0.381 . . . . 0.0 109.97 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -84.71 107.39 16.88 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.971 -175.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.7 mt -93.54 144.25 25.54 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 173.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -110.81 157.68 19.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.877 0.37 . . . . 0.0 111.511 -174.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.4 t -74.47 127.9 86.71 Favored Pre-proline 0 C--N 1.331 -0.21 0 CA-C-N 115.946 -0.57 . . . . 0.0 109.662 177.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_endo -63.44 -18.37 64.25 Favored 'Trans proline' 0 CA--C 1.528 0.218 0 C-N-CA 122.437 2.092 . . . . 0.0 112.187 178.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 48.3 mt-30 -105.13 -81.48 0.53 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.701 179.194 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 27.0 p -92.31 70.73 5.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.474 0.654 . . . . 0.0 109.406 179.637 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -32.26 112.62 0.11 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 113.666 -1.606 . . . . 0.0 112.331 175.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -153.61 -82.72 0.08 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.445 -1.252 . . . . 0.0 108.578 -177.442 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 14.8 p -176.93 144.3 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 114.911 -1.04 . . . . 0.0 109.066 176.403 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 73.0 mt -86.33 96.28 9.93 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.922 0.392 . . . . 0.0 110.272 176.252 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.572 ' O ' ' HG2' ' A' ' 20' ' ' ARG . 14.2 t70 -66.56 105.18 1.44 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.493 -0.776 . . . . 0.0 109.236 178.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.481 ' HA ' ' HA ' ' A' ' 19' ' ' ALA . 6.8 pt20 -112.14 135.77 52.38 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.074 0.464 . . . . 0.0 111.324 -174.544 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -148.7 146.94 28.35 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.494 -0.775 . . . . 0.0 109.529 -178.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 73.28 -44.01 0.57 Allowed 'General case' 0 N--CA 1.471 0.621 0 O-C-N 123.706 0.629 . . . . 0.0 112.109 177.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 159.78 1.05 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.375 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 -136.96 160.66 38.25 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.709 -0.289 . . . . 0.0 110.325 178.186 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.481 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . . . -100.47 162.81 12.69 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.093 0.473 . . . . 0.0 111.322 -176.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.572 ' HG2' ' O ' ' A' ' 13' ' ' ASP . 36.5 ptt180 -148.19 144.01 27.43 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.542 -0.754 . . . . 0.0 109.24 176.582 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 34.5 t -110.08 107.81 17.79 Favored 'General case' 0 C--N 1.317 -0.831 0 N-CA-C 108.913 -0.773 . . . . 0.0 108.913 171.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 22' ' ' ARG . 50.2 mtp180 -60.37 -28.9 68.56 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.421 -0.809 . . . . 0.0 111.967 -173.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.1 t -82.93 -12.73 57.1 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.858 0.361 . . . . 0.0 110.875 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . . . . . . . . . 71.5 m -93.89 -68.48 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.394 0.616 . . . . 0.0 110.746 177.135 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 117.51 -19.81 11.37 Favored Glycine 0 N--CA 1.446 -0.697 0 N-CA-C 110.376 -1.09 . . . . 0.0 110.376 -168.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -75.91 138.08 40.8 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 115.249 -0.476 . . . . 0.0 110.833 175.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -110.21 138.31 46.76 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.261 173.322 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 71.3 mt -115.08 121.86 67.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 CA-C-N 116.541 -0.299 . . . . 0.0 111.033 -172.78 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -71.55 123.02 21.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.875 0.369 . . . . 0.0 110.205 174.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 81.6 mtp -110.94 130.39 55.6 Favored 'General case' 0 C--N 1.316 -0.864 0 N-CA-C 108.692 -0.855 . . . . 0.0 108.692 174.729 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.6 mttp -98.13 118.93 35.87 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 120.955 0.407 . . . . 0.0 110.929 -175.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.43 102.91 8.04 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.145 176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 34.2 mt -100.02 163.19 12.54 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.89 178.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.517 ' HB2' HD21 ' A' ' 41' ' ' LEU . 44.0 t -91.97 115.78 65.25 Favored Pre-proline 0 C--N 1.316 -0.867 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 173.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.25 -36.42 77.82 Favored 'Trans proline' 0 N--CA 1.475 0.427 0 C-N-CA 122.988 2.459 . . . . 0.0 113.195 -173.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -83.25 2.53 35.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.829 -177.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 56.8 m -128.27 -35.07 2.03 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.819 0.343 . . . . 0.0 110.834 178.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.8 t60 67.55 14.01 9.45 Favored 'General case' 0 CA--C 1.532 0.258 0 C-N-CA 124.099 0.959 . . . . 0.0 110.188 -174.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.435 ' HB3' ' HD2' ' A' ' 40' ' ' PRO . 76.8 mt-30 -110.24 156.11 40.75 Favored Pre-proline 0 C--O 1.237 0.419 0 CA-C-N 115.573 -0.74 . . . . 0.0 109.759 175.445 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.435 ' HD2' ' HB3' ' A' ' 39' ' ' GLN . 32.1 Cg_endo -62.9 151.41 84.55 Favored 'Trans proline' 0 C--N 1.345 0.369 0 C-N-CA 122.961 2.44 . . . . 0.0 113.543 -173.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.54 HD13 ' HB3' ' A' ' 52' ' ' TYR . 95.5 mt -90.08 157.72 17.65 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.667 177.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.552 ' HB3' ' HB3' ' A' ' 53' ' ' PHE . 53.6 tt0 -89.04 130.36 35.51 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.745 177.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.7 t -79.1 117.28 24.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.128 -178.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.52 HD11 ' HB2' ' A' ' 53' ' ' PHE . 85.1 mt -97.4 108.81 21.62 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.181 -178.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 57.2 tttm -102.95 90.81 3.89 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 108.723 -0.843 . . . . 0.0 108.723 171.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -108.38 -81.42 0.57 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.948 0.404 . . . . 0.0 110.251 -173.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 32.3 m -86.55 -149.43 0.14 Allowed 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 108.358 -0.978 . . . . 0.0 108.358 174.112 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -80.43 21.24 5.35 Favored Glycine 0 N--CA 1.453 -0.229 0 C-N-CA 120.377 -0.916 . . . . 0.0 111.267 172.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.26 134.37 50.07 Favored 'General case' 0 N--CA 1.448 -0.556 0 N-CA-C 110.232 -0.284 . . . . 0.0 110.232 -176.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 59.2 t -94.21 129.51 44.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 N-CA-C 109.377 -0.601 . . . . 0.0 109.377 176.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.477 ' HB3' HD12 ' A' ' 44' ' ' LEU . 0.7 OUTLIER -127.99 -177.13 4.01 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.439 -177.912 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.54 ' HB3' HD13 ' A' ' 41' ' ' LEU . 85.1 m-85 -131.37 126.49 35.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.812 0.339 . . . . 0.0 111.196 -175.153 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.552 ' HB3' ' HB3' ' A' ' 42' ' ' GLN . 78.1 t80 -111.4 133.27 53.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.528 179.008 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.576 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 41.9 t -85.76 89.07 7.65 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.641 -0.503 . . . . 0.0 109.641 175.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 -73.1 94.71 1.95 Allowed 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 177.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 3.4 t-80 173.79 -32.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 114.639 -1.164 . . . . 0.0 108.277 -174.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 130.93 45.2 0.16 Allowed Glycine 0 C--N 1.334 0.443 0 CA-C-N 115.461 -0.79 . . . . 0.0 113.481 176.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.576 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 30.4 m170 -131.51 -7.78 3.69 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 117.478 0.639 . . . . 0.0 111.845 177.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 79.52 -154.24 38.01 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.33 -0.938 . . . . 0.0 111.45 -178.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.2 mp -75.02 140.85 43.86 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.922 0.391 . . . . 0.0 110.434 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.414 HG13 HD21 ' A' ' 41' ' ' LEU . 33.3 mm -101.89 139.16 23.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 121.086 0.469 . . . . 0.0 111.298 -175.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.81 147.04 52.33 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.302 179.275 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.443 ' HD2' ' N ' ' A' ' 63' ' ' LYS . 10.7 mptt -78.98 -17.15 55.91 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.915 0.388 . . . . 0.0 110.616 -177.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 19.2 ptpt -89.45 -4.57 57.92 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.212 0.529 . . . . 0.0 110.035 173.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.431 HH11 ' HD2' ' A' ' 65' ' ' ARG . 12.6 ttp180 -124.18 32.53 5.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.724 0.773 . . . . 0.0 109.668 -175.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.9 p -105.58 150.21 8.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.101 179.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -105.39 101.8 11.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.797 0.332 . . . . 0.0 110.168 179.216 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -87.26 112.31 21.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.737 0.303 . . . . 0.0 111.105 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 30.4 m -107.4 145.71 14.45 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-O 120.919 0.39 . . . . 0.0 110.394 175.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 5.0 tt -86.72 122.5 30.71 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.565 -0.731 . . . . 0.0 110.827 -178.339 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 47.6 ttm . . . . . 0 N--CA 1.479 1.014 0 CA-C-O 120.916 0.389 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -145.75 157.38 43.94 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.134 178.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.1 mt -112.39 146.8 37.7 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 176.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . 0.476 ' HA ' ' O ' ' A' ' 10' ' ' HIS . 37.8 m80 -112.71 156.79 22.19 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.886 0.374 . . . . 0.0 111.146 -177.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.404 ' HB2' ' O ' ' A' ' 8' ' ' CYS . 40.0 m -75.23 126.01 88.37 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.982 179.27 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -53.92 -46.31 34.59 Favored 'Trans proline' 0 CA--C 1.529 0.251 0 C-N-CA 122.747 2.298 . . . . 0.0 112.687 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -99.0 -59.73 1.67 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.38 0.61 . . . . 0.0 110.561 -177.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' O ' ' HB2' ' A' ' 5' ' ' CYS . 8.6 p -86.55 61.56 6.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.503 -175.68 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 22.9 mm-40 -29.4 101.54 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.749 0 O-C-N 124.805 1.315 . . . . 0.0 113.514 -177.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.476 ' O ' ' HA ' ' A' ' 4' ' ' HIS . 0.4 OUTLIER -169.45 -173.63 1.73 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 114.918 -1.037 . . . . 0.0 108.41 178.342 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.1 t -89.07 134.42 28.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.259 0.552 . . . . 0.0 111.868 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.423 HD21 HD12 ' A' ' 28' ' ' ILE . 83.3 mt -99.82 124.02 44.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.283 -0.871 . . . . 0.0 109.885 173.42 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -104.35 124.1 48.59 Favored 'General case' 0 C--N 1.321 -0.66 0 N-CA-C 109.882 -0.414 . . . . 0.0 109.882 179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.8 mp0 -96.48 149.98 21.13 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.16 -177.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -139.69 -72.4 0.38 Allowed 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.859 0.361 . . . . 0.0 110.7 178.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -102.47 -71.57 0.72 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.651 -178.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.36 9.52 0.51 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.514 -0.85 . . . . 0.0 112.501 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 26.1 m-70 -119.25 150.48 40.02 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.608 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.568 ' HB3' ' HB ' ' A' ' 28' ' ' ILE . . . -92.54 115.54 28.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.265 0.555 . . . . 0.0 109.582 178.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 20' ' ' ARG . 16.8 mmm180 -97.4 114.59 26.44 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-N 115.579 -0.737 . . . . 0.0 111.165 -176.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.654 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 85.1 m -68.66 92.33 0.47 Allowed 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.095 -0.705 . . . . 0.0 109.095 171.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 41.5 ttt85 -70.58 -24.39 62.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.619 -169.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 p -102.29 -58.63 1.84 Allowed 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.075 -0.512 . . . . 0.0 111.217 178.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.654 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.2 OUTLIER -63.29 -43.73 97.05 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.701 -178.026 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 122.46 -45.47 1.2 Allowed Glycine 0 CA--C 1.519 0.326 0 C-N-CA 120.121 -1.038 . . . . 0.0 114.446 172.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.437 ' O ' ' HB2' ' A' ' 21' ' ' CYS . 5.8 pm0 -58.65 162.76 3.68 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 113.293 0.849 . . . . 0.0 113.293 -171.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 73.0 m-85 -100.0 140.77 33.73 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.676 178.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.568 ' HB ' ' HB3' ' A' ' 19' ' ' ALA . 64.8 mt -122.95 106.47 17.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.758 0 CA-C-O 121.179 0.514 . . . . 0.0 110.261 174.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.53 129.5 38.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.024 175.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . 0.461 ' SD ' ' HB3' ' A' ' 68' ' ' PHE . 42.1 mtt -109.14 134.38 51.79 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.929 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.716 ' HZ3' HD11 ' A' ' 33' ' ' LEU . 42.8 tttm -82.95 102.12 11.5 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.239 -179.398 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.7 98.82 4.87 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.008 -176.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.716 HD11 ' HZ3' ' A' ' 31' ' ' LYS . 87.0 mt -114.84 164.21 14.43 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.943 -177.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.506 ' HB2' HD21 ' A' ' 41' ' ' LEU . 41.5 t -93.57 118.09 67.44 Favored Pre-proline 0 C--N 1.318 -0.801 0 N-CA-C 108.808 -0.812 . . . . 0.0 108.808 172.353 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -64.99 -18.96 63.62 Favored 'Trans proline' 0 CA--C 1.529 0.262 0 C-N-CA 122.913 2.409 . . . . 0.0 113.444 -170.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.0 p30 -86.25 -14.93 42.34 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 112.319 0.489 . . . . 0.0 112.319 -177.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.453 ' O ' ' HB2' ' A' ' 38' ' ' HIS . 5.6 p -139.37 -6.98 1.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 113.095 0.776 . . . . 0.0 113.095 -175.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.453 ' HB2' ' O ' ' A' ' 37' ' ' CYS . 10.5 m170 70.7 0.06 3.16 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 122.778 0.431 . . . . 0.0 111.864 179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 82.7 mm-40 -91.39 149.5 39.68 Favored Pre-proline 0 C--N 1.324 -0.542 0 C-N-CA 121.206 -0.197 . . . . 0.0 110.629 -176.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.07 152.44 81.27 Favored 'Trans proline' 0 C--O 1.233 0.274 0 C-N-CA 123.021 2.481 . . . . 0.0 112.723 -177.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.506 HD21 ' HB2' ' A' ' 34' ' ' CYS . 96.6 mt -92.21 132.68 36.46 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.623 178.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 51.2 tt0 -76.34 128.69 35.37 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.998 -0.546 . . . . 0.0 109.971 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 48.9 t -81.56 111.05 17.6 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.822 -178.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 79.3 mt -88.13 107.07 18.58 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 176.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 89.1 mttt -91.75 133.5 35.55 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.301 -175.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -147.79 14.98 1.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.468 176.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.1 t 70.38 -74.25 0.09 Allowed 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.445 179.532 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -71.01 -32.61 65.91 Favored Glycine 0 N--CA 1.449 -0.433 0 C-N-CA 120.668 -0.777 . . . . 0.0 111.895 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -127.12 147.12 50.18 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.4 p -138.56 138.6 42.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 N-CA-C 109.709 -0.478 . . . . 0.0 109.709 176.354 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.493 ' HB3' HD22 ' A' ' 60' ' ' LEU . 2.7 m-20 -126.25 157.47 38.21 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.179 0.514 . . . . 0.0 111.693 -179.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.471 ' HB3' HD13 ' A' ' 41' ' ' LEU . 53.9 m-85 -107.45 104.14 13.64 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.373 -0.831 . . . . 0.0 108.989 176.011 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 72.2 t80 -100.9 123.78 45.6 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.008 0.433 . . . . 0.0 111.273 -175.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.514 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 40.5 t -91.51 92.67 8.62 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.083 -0.508 . . . . 0.0 109.678 175.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -74.41 95.11 2.66 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 179.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 172.42 20.97 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 114.205 -1.362 . . . . 0.0 109.325 -173.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 78.75 26.27 58.97 Favored Glycine 0 N--CA 1.448 -0.511 0 C-N-CA 121.107 -0.568 . . . . 0.0 113.383 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.514 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 53.1 m170 -114.38 -16.64 11.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 117.302 0.551 . . . . 0.0 111.255 179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.68 -153.24 38.29 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.722 -0.751 . . . . 0.0 113.057 175.133 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.493 HD22 ' HB3' ' A' ' 51' ' ' ASP . 90.7 mt -81.61 122.57 27.76 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.72 0.295 . . . . 0.0 110.733 -178.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.2 mm -90.39 127.12 43.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.113 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 13.2 m -70.2 159.13 34.56 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.855 -0.611 . . . . 0.0 111.256 -177.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.6 tptt -48.62 -53.37 18.78 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 115.787 -0.642 . . . . 0.0 112.633 -175.024 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -86.22 7.74 23.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.275 0.559 . . . . 0.0 111.136 -174.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 32.3 ttm105 -104.35 -7.02 20.26 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.287 0.565 . . . . 0.0 109.794 176.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.8 t -75.67 132.86 32.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.67 175.223 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -90.56 107.44 19.17 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.186 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.461 ' HB3' ' SD ' ' A' ' 30' ' ' MET . 92.7 m-85 -96.27 104.2 16.14 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.535 -179.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.424 HG23 ' HB3' ' A' ' 31' ' ' LYS . 27.2 m -109.4 176.54 1.38 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.123 176.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 90.4 mt -70.26 123.41 21.61 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.704 0.288 . . . . 0.0 110.617 178.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.677 -0.677 . . . . 0.0 110.355 178.579 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 mpp? . . . . . 0 N--CA 1.483 1.185 0 CA-C-O 121.264 0.554 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.604 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.1 pm0 -81.27 152.36 27.65 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.497 -0.774 . . . . 0.0 109.745 175.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.1 mp -74.16 140.82 45.43 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.319 0.58 . . . . 0.0 111.933 -171.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -116.31 162.41 17.54 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.42 -0.955 . . . . 0.0 108.42 173.566 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 25.1 m -73.89 122.46 87.62 Favored Pre-proline 0 C--N 1.323 -0.565 0 C-N-CA 121.144 -0.222 . . . . 0.0 110.966 -178.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -84.66 28.55 0.57 Allowed 'Trans proline' 0 CA--C 1.53 0.284 0 C-N-CA 123.073 2.515 . . . . 0.0 111.509 176.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -155.2 -73.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.079 -0.964 . . . . 0.0 108.981 -176.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.2 p -93.7 63.24 3.35 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.13 -0.941 . . . . 0.0 108.99 176.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 96.0 mt-30 -35.03 102.45 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 O-C-N 124.917 1.386 . . . . 0.0 113.654 -172.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.403 ' HB2' ' SG ' ' A' ' 24' ' ' CYS . 6.7 m80 -168.36 -167.73 0.84 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 114.463 -1.244 . . . . 0.0 107.849 178.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.5 p -82.97 147.02 6.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.47 0 CA-C-O 120.791 0.329 . . . . 0.0 111.407 -178.765 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 32.1 mt -119.29 119.05 32.91 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.961 177.2 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -111.37 79.3 1.19 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.26 0.553 . . . . 0.0 111.241 179.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.741 ' NE2' ' H ' ' A' ' 14' ' ' GLN . 0.7 OUTLIER -84.6 128.47 34.61 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.697 173.579 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 38.1 p30 -99.67 -39.4 8.29 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.346 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.7 t-20 -160.2 -73.2 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.798 0.332 . . . . 0.0 110.847 176.687 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -106.19 -6.52 36.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.371 -0.919 . . . . 0.0 113.251 -175.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -137.24 145.71 43.91 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.817 0.341 . . . . 0.0 110.641 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.546 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . . . -103.66 126.74 51.0 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.499 177.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.454 HH11 ' HD2' ' A' ' 20' ' ' ARG . 19.6 mtp180 -91.08 115.35 27.94 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 178.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -94.73 90.25 6.02 Favored 'General case' 0 C--N 1.318 -0.781 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.175 -175.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 59.2 mtm180 -70.88 152.37 43.76 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.024 -178.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 59.5 m 70.43 -47.08 0.63 Allowed 'General case' 0 N--CA 1.466 0.352 0 O-C-N 124.043 0.839 . . . . 0.0 110.92 -174.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 10' ' ' HIS . 16.3 m -65.75 -41.38 92.19 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.045 177.427 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.31 -2.47 81.08 Favored Glycine 0 C--N 1.33 0.232 0 C-N-CA 121.105 -0.569 . . . . 0.0 112.821 174.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 70.7 mm-40 -97.45 175.54 6.2 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.092 0.472 . . . . 0.0 110.953 -178.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -128.91 137.97 51.73 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.6 -0.727 . . . . 0.0 109.439 176.442 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.545 ' HB ' ' HB3' ' A' ' 19' ' ' ALA . 63.2 mt -114.85 107.87 23.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 N-CA-C 110.085 -0.339 . . . . 0.0 110.085 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -72.07 155.69 40.02 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.153 177.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 62.4 mtt -123.46 144.21 49.66 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.447 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' NZ ' ' HA ' ' A' ' 71' ' ' ALA . 17.0 mtmm -88.02 130.18 35.05 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.232 176.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -92.43 102.27 14.73 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.49 -179.004 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 40' ' ' PRO . 82.9 mt -110.34 153.88 24.29 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.735 -179.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.463 ' HB2' HD21 ' A' ' 41' ' ' LEU . 49.2 t -94.14 109.7 43.78 Favored Pre-proline 0 C--N 1.323 -0.575 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 174.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -57.74 -26.43 73.25 Favored 'Trans proline' 0 N--CA 1.475 0.4 0 C-N-CA 123.295 2.663 . . . . 0.0 114.133 -169.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.8 p30 -75.87 -13.51 60.27 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 111.909 0.337 . . . . 0.0 111.909 -177.14 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 p -137.44 -8.47 1.71 Allowed 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 50.2 t60 56.56 25.89 10.39 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.661 0.743 . . . . 0.0 110.39 -177.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -104.5 149.94 37.95 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 115.357 -0.838 . . . . 0.0 109.293 177.776 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.414 ' HA ' HD23 ' A' ' 33' ' ' LEU . 24.3 Cg_exo -63.66 146.24 92.18 Favored 'Trans proline' 0 C--O 1.235 0.336 0 C-N-CA 122.958 2.439 . . . . 0.0 113.09 -176.112 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.525 HD13 ' HB3' ' A' ' 52' ' ' TYR . 92.0 mt -86.92 141.56 28.65 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.627 176.898 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . 0.512 ' HB2' ' HB2' ' A' ' 55' ' ' GLN . 63.6 tt0 -89.34 108.57 19.71 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.243 177.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.7 t -76.17 99.61 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.594 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.51 ' O ' ' HA ' ' A' ' 50' ' ' VAL . 61.2 mt -80.45 96.44 6.74 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 176.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 51.5 tttm -109.02 102.37 11.37 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.841 -173.09 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -117.42 -175.15 2.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.806 -0.634 . . . . 0.0 109.631 176.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 89.1 m -71.52 107.36 4.37 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.779 0.323 . . . . 0.0 110.194 176.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.29 -44.63 2.79 Favored Glycine 0 N--CA 1.449 -0.465 0 C-N-CA 121.043 -0.599 . . . . 0.0 112.822 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -99.07 117.79 34.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.008 0.432 . . . . 0.0 111.579 -174.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.51 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 88.4 t -125.9 116.79 47.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.659 176.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.458 ' HB2' ' HB2' ' A' ' 44' ' ' LEU . 49.0 m-20 -119.66 131.52 55.46 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.83 0.348 . . . . 0.0 111.604 -175.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.525 ' HB3' HD13 ' A' ' 41' ' ' LEU . 95.2 m-85 -88.53 99.3 12.19 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.17 -0.678 . . . . 0.0 109.17 171.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.6 t80 -100.98 133.67 45.12 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.033 -175.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.507 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 43.7 t -75.44 94.29 3.08 Favored 'General case' 0 C--O 1.237 0.396 0 N-CA-C 109.976 -0.379 . . . . 0.0 109.976 177.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.512 ' HB2' ' HB2' ' A' ' 42' ' ' GLN . 9.2 tt0 -72.77 94.76 1.82 Allowed 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.053 -0.521 . . . . 0.0 109.718 179.244 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . 0.504 ' HB2' ' O ' ' A' ' 55' ' ' GLN . 0.8 OUTLIER 169.25 -39.35 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 -178.134 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 129.64 68.18 0.11 Allowed Glycine 0 N--CA 1.448 -0.549 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.826 178.186 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.507 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 18.4 m170 -136.32 -53.87 0.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.023 0.439 . . . . 0.0 109.913 174.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 144.56 -154.29 25.7 Favored Glycine 0 N--CA 1.444 -0.804 0 N-CA-C 111.113 -0.795 . . . . 0.0 111.113 -178.675 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 6.8 mp -91.97 142.23 27.77 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 178.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 44.7 mm -112.15 124.48 68.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.62 -178.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 8.3 m -66.0 141.95 58.01 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.61 174.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.482 ' HA ' HG23 ' A' ' 66' ' ' VAL . 34.5 pttt -58.27 -28.38 64.9 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 113.146 0.795 . . . . 0.0 113.146 -173.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 72.2 mttt -71.61 -19.19 62.15 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.653 176.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -98.73 0.29 44.24 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.774 0.321 . . . . 0.0 110.678 -176.162 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.482 HG23 ' HA ' ' A' ' 63' ' ' LYS . 77.4 t -74.57 136.34 25.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 120.977 0.418 . . . . 0.0 110.695 -178.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -84.7 102.15 12.76 Favored 'General case' 0 C--N 1.321 -0.64 0 N-CA-C 109.041 -0.725 . . . . 0.0 109.041 175.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.406 ' CE2' ' HB ' ' A' ' 66' ' ' VAL . 70.8 m-85 -95.77 116.05 28.33 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.942 -177.683 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 35.6 m -115.15 154.6 16.51 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 173.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 81.1 mt -68.64 146.01 53.4 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.871 0.367 . . . . 0.0 110.763 -178.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.49 ' HA ' ' NZ ' ' A' ' 31' ' ' LYS . . . . . . . . 0 C--O 1.25 1.121 0 CA-C-O 118.15 -0.928 . . . . 0.0 111.442 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.0 mmt . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.719 0.295 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -98.42 153.96 18.2 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.538 -0.541 . . . . 0.0 109.538 173.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.2 mt -73.01 145.55 46.58 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.997 0.427 . . . . 0.0 111.567 -173.117 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.4 m80 -113.3 156.15 23.88 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.899 -0.591 . . . . 0.0 109.604 177.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.516 ' HB2' ' HA ' ' A' ' 9' ' ' GLN . 11.5 m -77.07 154.84 82.71 Favored Pre-proline 0 C--N 1.322 -0.595 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.454 -174.423 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.415 ' HD3' HD11 ' A' ' 12' ' ' LEU . 16.0 Cg_exo -69.33 -51.55 0.41 Allowed 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.529 2.153 . . . . 0.0 111.401 172.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 53.6 tp60 -98.71 -69.29 0.77 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.142 -176.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 29.1 p -85.1 62.19 7.35 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.438 0.637 . . . . 0.0 109.706 -178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.516 ' HA ' ' HB2' ' A' ' 5' ' ' CYS . 72.7 mt-30 -46.08 116.61 1.28 Allowed 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.412 -1.267 . . . . 0.0 112.739 -177.064 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.432 ' HB3' ' H ' ' A' ' 11' ' ' VAL . 25.4 t-80 -162.74 -85.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.479 -0.782 . . . . 0.0 109.287 171.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.432 ' H ' ' HB3' ' A' ' 10' ' ' HIS . 92.7 t -143.11 130.87 18.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.274 0 CA-C-O 120.63 0.253 . . . . 0.0 110.526 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.417 HD11 ' HA ' ' A' ' 5' ' ' CYS . 33.5 mt -113.18 113.25 25.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.568 174.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.502 ' HB2' ' HD2' ' A' ' 22' ' ' ARG . 33.7 t70 -91.0 104.21 16.83 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.182 -0.463 . . . . 0.0 109.825 177.749 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.419 ' HA ' ' O ' ' A' ' 18' ' ' HIS . 8.5 tt0 -116.09 125.24 52.12 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.499 -178.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -126.46 -69.92 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.188 178.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -97.71 62.36 1.64 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.89 -179.513 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 76.46 -41.01 1.58 Allowed Glycine 0 CA--C 1.52 0.397 0 CA-C-N 115.747 -0.66 . . . . 0.0 113.057 178.902 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.419 ' O ' ' HA ' ' A' ' 14' ' ' GLN . 41.7 m80 -81.1 140.77 34.87 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.703 0.287 . . . . 0.0 111.12 -177.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.405 ' HA ' ' O ' ' A' ' 13' ' ' ASP . . . -117.18 127.13 53.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.081 176.065 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 73.9 ttt180 -121.83 137.42 54.78 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-O 121.318 0.58 . . . . 0.0 110.222 177.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.628 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 47.9 m -79.14 102.82 8.68 Favored 'General case' 0 C--N 1.314 -0.953 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.277 176.872 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.502 ' HD2' ' HB2' ' A' ' 13' ' ' ASP . 9.4 ptm180 -76.43 44.63 0.35 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.704 177.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.6 t -174.36 -58.43 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.656 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.628 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 0.6 OUTLIER -90.44 4.61 50.51 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 112.854 0.686 . . . . 0.0 112.854 -174.323 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.47 -39.9 2.83 Favored Glycine 0 CA--C 1.521 0.446 0 C-N-CA 120.781 -0.723 . . . . 0.0 114.222 171.757 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.608 ' HB3' ' SG ' ' A' ' 21' ' ' CYS . 13.0 tt0 -43.5 129.09 5.19 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.391 0.676 . . . . 0.0 111.972 179.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -125.35 115.78 20.86 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 178.257 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.407 HG21 HD22 ' A' ' 70' ' ' LEU . 42.9 mt -102.91 128.54 55.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 CA-C-O 121.4 0.619 . . . . 0.0 112.027 -171.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -90.41 101.1 13.84 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 171.428 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 78.3 mtp -101.3 122.87 44.48 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 -179.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -92.17 131.16 37.63 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.97 -172.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -81.91 106.4 13.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.038 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 83.6 mt -116.41 169.11 9.56 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.699 177.429 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.533 ' O ' ' HA ' ' A' ' 38' ' ' HIS . 11.0 t -80.3 132.64 58.7 Favored Pre-proline 0 C--N 1.318 -0.761 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 177.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.408 ' HA ' ' HB2' ' A' ' 67' ' ' GLU . 17.8 Cg_endo -59.42 -38.89 81.13 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.902 2.401 . . . . 0.0 112.761 -178.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.12 -80.02 0.11 Allowed 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.148 -177.198 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.16 -16.62 62.54 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -174.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.533 ' HA ' ' O ' ' A' ' 34' ' ' CYS . 17.1 m80 62.29 15.95 8.04 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.427 ' OE1' ' HA ' ' A' ' 39' ' ' GLN . 15.7 mm-40 -84.84 149.63 54.08 Favored Pre-proline 0 C--N 1.324 -0.5 0 N-CA-C 109.481 -0.562 . . . . 0.0 109.481 174.04 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.86 133.8 60.26 Favored 'Trans proline' 0 C--O 1.235 0.366 0 C-N-CA 122.911 2.407 . . . . 0.0 112.568 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.484 HD13 ' HB3' ' A' ' 52' ' ' TYR . 97.7 mt -84.57 151.71 24.35 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.456 178.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 47.6 tt0 -83.57 111.83 19.45 Favored 'General case' 0 C--N 1.319 -0.728 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.0 t -75.78 108.67 8.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.42 -178.441 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' A' ' 53' ' ' PHE . 59.2 mt -92.83 85.78 5.29 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.289 -179.161 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -100.14 110.64 22.92 Favored 'General case' 0 C--N 1.319 -0.746 0 C-N-CA 120.207 -0.597 . . . . 0.0 110.047 178.238 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -103.24 -167.68 1.41 Allowed 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.109 177.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 2.9 p -73.31 95.44 2.16 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.249 0.547 . . . . 0.0 110.604 177.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 113.07 -59.51 0.38 Allowed Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.651 178.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -106.89 155.39 19.8 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.099 0.476 . . . . 0.0 111.968 -173.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.1 p -133.32 138.62 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.075 178.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -129.92 175.0 9.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.694 0.283 . . . . 0.0 110.496 -178.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.484 ' HB3' HD13 ' A' ' 41' ' ' LEU . 88.1 m-85 -129.31 116.72 19.51 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.813 0.339 . . . . 0.0 110.27 -178.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.453 ' HB2' HD11 ' A' ' 44' ' ' LEU . 61.4 t80 -113.67 124.14 51.59 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.276 -174.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.408 ' HB3' ' HB2' ' A' ' 58' ' ' HIS . 40.5 t -92.75 89.17 6.53 Favored 'General case' 0 C--O 1.238 0.49 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 175.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -78.95 94.52 5.26 Favored 'General case' 0 N--CA 1.451 -0.39 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 43.6 m-70 -176.48 -34.65 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 -174.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 142.73 42.67 0.06 OUTLIER Glycine 0 N--CA 1.446 -0.655 0 CA-C-N 115.113 -0.948 . . . . 0.0 112.433 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.408 ' HB2' ' HB3' ' A' ' 54' ' ' CYS . 36.2 m80 -136.67 -17.57 1.46 Allowed 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.981 0.39 . . . . 0.0 111.128 177.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 74.04 -146.62 36.75 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.82 -0.705 . . . . 0.0 111.948 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 88.9 mt -74.0 131.82 41.77 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 109.871 -0.418 . . . . 0.0 109.871 178.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.1 mm -93.03 129.03 44.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.796 -176.352 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 14.9 t -56.75 124.47 18.54 Favored 'General case' 0 N--CA 1.453 -0.295 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.837 176.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 60.1 mttp -74.4 3.13 7.95 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.157 -0.474 . . . . 0.0 112.238 -171.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.841 ' HA ' ' HE2' ' A' ' 64' ' ' LYS . 9.6 mmpt? -100.22 -7.22 24.94 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 121.163 0.506 . . . . 0.0 110.09 172.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -113.1 -10.73 13.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.172 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 8.6 p -54.81 143.2 7.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.442 0 CA-C-O 121.057 0.456 . . . . 0.0 111.38 -176.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.408 ' HB2' ' HA ' ' A' ' 35' ' ' PRO . 5.2 tp10 -93.02 102.01 14.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.541 -176.501 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -92.45 108.11 19.72 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.803 0.335 . . . . 0.0 110.443 176.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 34.6 m -101.45 162.38 3.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.318 178.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.407 HD22 HG21 ' A' ' 28' ' ' ILE . 66.3 mt -90.43 126.87 36.04 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 110.144 -0.317 . . . . 0.0 110.144 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.182 0 CA-C-O 118.692 -0.67 . . . . 0.0 110.649 177.326 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.154 0 CA-C-O 121.007 0.432 . . . . 0.0 110.396 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -75.93 127.87 33.89 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.093 -176.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 6.6 mp -72.8 144.65 47.45 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.697 178.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.1 m170 -101.02 146.18 27.76 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.018 0.437 . . . . 0.0 110.289 -177.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 9' ' ' GLN . 3.3 m -80.29 140.81 52.87 Favored Pre-proline 0 C--N 1.319 -0.725 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.566 -176.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.441 ' HD3' ' HA ' ' A' ' 5' ' ' CYS . 8.6 Cg_exo -73.16 0.4 7.96 Favored 'Trans proline' 0 C--N 1.343 0.249 0 C-N-CA 122.88 2.387 . . . . 0.0 112.181 177.191 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -131.61 -77.01 0.51 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.877 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.474 ' HB2' ' HB2' ' A' ' 24' ' ' CYS . 26.9 p -84.34 63.05 7.56 Favored 'General case' 0 C--O 1.238 0.454 0 CA-C-N 116.044 -0.526 . . . . 0.0 109.768 177.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.475 ' HG2' ' O ' ' A' ' 5' ' ' CYS . 91.6 mt-30 -45.61 107.09 0.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 114.665 -1.152 . . . . 0.0 112.374 -179.354 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -171.99 -78.29 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.859 174.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 86.9 t -138.68 132.56 40.85 Favored 'Isoleucine or valine' 0 C--O 1.235 0.332 0 CA-C-O 121.034 0.445 . . . . 0.0 111.83 -176.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 62.7 mt -112.89 104.05 12.04 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 167.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -101.12 114.97 29.42 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -177.085 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.3 mp0 -82.71 117.44 22.63 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.587 -173.689 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -63.39 -60.17 3.72 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.069 173.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -156.12 -44.8 0.08 Allowed 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 114.811 -1.086 . . . . 0.0 108.284 173.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -142.09 -32.38 0.12 Allowed Glycine 0 N--CA 1.449 -0.441 0 N-CA-C 110.037 -1.225 . . . . 0.0 110.037 172.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.432 ' HD2' ' HA ' ' A' ' 29' ' ' GLU . 28.2 t-80 -77.05 136.5 38.67 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.5 -0.556 . . . . 0.0 109.5 172.575 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -97.87 134.0 41.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.17 0.509 . . . . 0.0 111.391 -177.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -116.53 118.96 34.1 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 109.149 -0.685 . . . . 0.0 109.149 175.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.698 ' HB3' ' SG ' ' A' ' 24' ' ' CYS . 20.5 m -78.86 90.9 4.71 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-O 121.309 0.576 . . . . 0.0 112.022 -177.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 47.9 ttt180 -56.92 119.83 6.92 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.808 -1.087 . . . . 0.0 110.366 175.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.8 t 75.46 -38.36 0.36 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.685 0.794 . . . . 0.0 112.707 176.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' CYS . . . . . 0.698 ' SG ' ' HB3' ' A' ' 21' ' ' CYS . 7.6 p -87.3 -0.33 56.58 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 120.456 -0.497 . . . . 0.0 111.915 -177.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 83.18 -68.09 3.62 Favored Glycine 0 CA--C 1.521 0.468 0 N-CA-C 115.302 0.881 . . . . 0.0 115.302 165.178 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 64.2 mt-10 -43.61 117.26 1.11 Allowed 'General case' 0 N--CA 1.474 0.745 0 N-CA-C 113.103 0.779 . . . . 0.0 113.103 -168.707 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 27.9 p90 -82.15 124.64 30.05 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.554 -0.536 . . . . 0.0 109.554 175.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.4 mt -124.18 121.17 61.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.065 0.459 . . . . 0.0 111.169 -174.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.447 ' HB3' ' HB3' ' A' ' 71' ' ' ALA . 9.2 tp10 -83.07 143.19 30.74 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.045 -0.724 . . . . 0.0 109.045 174.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' MET . . . . . . . . . . . . . 59.4 mtt -132.46 141.99 49.05 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.383 0.611 . . . . 0.0 111.365 -177.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.459 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 43.1 mmtm -96.56 123.41 40.22 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.286 178.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -79.68 94.63 5.75 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.151 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 77.4 mt -99.26 145.52 27.18 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.03 -178.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.436 ' HB2' HD21 ' A' ' 41' ' ' LEU . 36.7 t -81.08 115.69 57.76 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 108.134 -1.062 . . . . 0.0 108.134 170.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 20.0 Cg_endo -60.35 -28.8 87.51 Favored 'Trans proline' 0 N--CA 1.471 0.164 0 C-N-CA 122.843 2.362 . . . . 0.0 112.466 -171.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -89.88 1.84 55.72 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.782 -178.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 66.2 m -129.27 -27.82 2.41 Favored 'General case' 0 N--CA 1.466 0.36 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 14.0 t60 69.12 8.34 6.77 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.565 0.698 . . . . 0.0 109.672 -174.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -107.23 143.08 26.44 Favored Pre-proline 0 C--O 1.236 0.392 0 CA-C-N 115.489 -0.778 . . . . 0.0 109.309 -179.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_exo -57.21 152.78 43.34 Favored 'Trans proline' 0 C--O 1.236 0.39 0 C-N-CA 122.647 2.231 . . . . 0.0 112.723 177.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.457 HD13 ' HB3' ' A' ' 52' ' ' TYR . 99.2 mt -89.93 150.62 22.09 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.67 178.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -82.18 115.72 21.4 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.243 -0.435 . . . . 0.0 109.912 176.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 59.4 t -74.65 110.29 8.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.982 176.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.538 HD12 ' HB3' ' A' ' 51' ' ' ASP . 87.7 mt -79.58 102.79 9.07 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 177.739 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 63.7 tttm -102.99 110.44 22.35 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.29 -176.072 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.483 ' HB3' ' HB3' ' A' ' 49' ' ' ALA . . . -119.02 -165.36 1.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.512 178.343 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 22.9 m -57.49 -54.28 48.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.063 0.458 . . . . 0.0 111.002 -178.157 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -137.92 24.73 2.98 Favored Glycine 0 N--CA 1.446 -0.665 0 N-CA-C 111.386 -0.685 . . . . 0.0 111.386 178.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.483 ' HB3' ' HB3' ' A' ' 46' ' ' ALA . . . -127.09 129.56 48.2 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.713 0.292 . . . . 0.0 110.693 -177.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.462 ' HA ' ' O ' ' A' ' 44' ' ' LEU . 57.7 t -127.15 123.23 61.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 N-CA-C 108.902 -0.777 . . . . 0.0 108.902 175.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.538 ' HB3' HD12 ' A' ' 44' ' ' LEU . 1.5 t70 -137.6 177.49 7.83 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.881 -0.327 . . . . 0.0 111.07 -176.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' TYR . . . . . 0.457 ' HB3' HD13 ' A' ' 41' ' ' LEU . 68.8 m-85 -127.93 107.66 10.04 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.516 -175.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -103.94 135.26 45.79 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.988 0.423 . . . . 0.0 110.999 -177.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . 0.545 ' SG ' ' HB2' ' A' ' 58' ' ' HIS . 36.5 t -93.29 94.68 8.9 Favored 'General case' 0 C--O 1.238 0.482 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.989 178.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 99.5 mt-30 -70.67 94.81 1.04 Allowed 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 109.846 -0.427 . . . . 0.0 109.846 174.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 171.48 -29.46 0.0 OUTLIER 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.557 -1.201 . . . . 0.0 108.91 -177.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 120.27 48.21 0.32 Allowed Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.879 177.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' HIS . . . . . 0.545 ' HB2' ' SG ' ' A' ' 54' ' ' CYS . 34.8 m170 -128.39 -2.9 5.55 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.972 0.386 . . . . 0.0 110.64 175.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 77.07 -144.02 29.32 Favored Glycine 0 N--CA 1.448 -0.545 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.281 179.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 98.0 mt -88.3 135.95 33.21 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.858 0.361 . . . . 0.0 110.758 -179.786 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 45.6 mm -100.01 130.05 49.75 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.761 -178.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 40.9 t -58.8 147.85 31.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.37 175.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.9 tttm -65.47 -18.11 65.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.075 0.464 . . . . 0.0 110.896 -176.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -89.55 -17.85 27.76 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.611 176.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 22.2 mtp180 -93.62 13.58 21.62 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.738 -178.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.5 t -93.44 127.41 45.52 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.517 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -85.81 107.6 17.72 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 176.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -91.69 108.32 19.83 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.649 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.459 ' CG2' ' HB2' ' A' ' 31' ' ' LYS . 34.8 m -105.1 149.5 8.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.173 175.675 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 8.2 mp -73.67 136.34 43.79 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.414 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.447 ' HB3' ' HB3' ' A' ' 29' ' ' GLU . . . . . . . . 0 C--O 1.247 0.942 0 CA-C-O 118.423 -0.799 . . . . 0.0 110.357 178.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 200' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_