data_2kpj_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 2kpj _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 ' 5' ' ' LYS . . . . . 0.481 ' O ' HG13 ' A' ' 9' ' ' ILE . 50.1 tptt . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.366 0.127 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -59.68 -49.32 78.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.664 -0.243 . . . . 0.0 110.847 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.951 ' HG2' HG13 ' A' ' 48' ' ' ILE . 33.1 mtmm -63.26 -30.16 71.35 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.167 -0.213 . . . . 0.0 111.35 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.26 -31.12 65.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.881 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 5' ' ' LYS . 86.4 mt -76.3 -49.24 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.765 0.317 . . . . 0.0 110.194 176.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -53.53 -49.11 68.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.931 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.1 p -65.56 -42.36 91.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.758 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -55.95 -48.71 75.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.402 . . . . 0.0 110.673 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -67.91 -48.0 67.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.228 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.01 -48.21 82.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.761 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -58.48 -32.37 68.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.385 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.45 ' O ' ' HD2' ' A' ' 20' ' ' LYS . 38.4 m -59.18 -48.58 81.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.755 0.312 . . . . 0.0 110.41 177.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.491 ' HH ' ' HB3' ' A' ' 67' ' ' ASP . 91.2 m-85 -69.43 -40.37 77.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.037 -178.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.15 -47.05 94.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.52 -7.22 50.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.612 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HD2' ' O ' ' A' ' 16' ' ' SER . 0.6 OUTLIER -90.38 -11.59 40.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.11 0.481 . . . . 0.0 110.067 175.301 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.9 t -99.76 159.11 15.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.751 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -100.94 4.39 42.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.862 0.363 . . . . 0.0 110.456 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -87.95 134.3 33.75 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.617 173.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.7 p -71.99 165.27 24.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.169 0.509 . . . . 0.0 111.794 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -56.52 -36.66 69.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.142 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.14 -29.26 68.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.704 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -70.59 -52.85 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.807 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.3 mt -63.68 -36.9 78.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.978 -176.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.85 -40.89 73.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.045 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -70.48 -38.47 74.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.87 0.367 . . . . 0.0 110.764 -177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -65.36 -38.14 89.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.818 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.1 mm -72.56 -44.58 60.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.243 178.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.83 37.43 1.55 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.056 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.3 m -130.89 176.43 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.75 0.31 . . . . 0.0 110.452 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.3 m -94.04 152.53 40.51 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.18 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.24 -35.37 95.51 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.901 2.401 . . . . 0.0 112.741 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -67.01 -31.2 71.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.209 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.8 m -72.66 -39.1 67.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.359 0.6 . . . . 0.0 109.564 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -71.23 -34.78 71.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.174 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -59.46 -42.75 92.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.77 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.3 p -70.71 -27.63 64.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.596 0.236 . . . . 0.0 111.178 -177.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.515 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 50.1 m0 -69.72 -45.0 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.114 0.483 . . . . 0.0 109.858 175.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.9 t -67.59 -27.28 66.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.894 -177.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -88.72 -0.07 56.96 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.334 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.06 34.4 89.82 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 121.247 -0.501 . . . . 0.0 113.143 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.1 mt -89.52 -33.63 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.018 0.437 . . . . 0.0 110.354 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.55 151.24 33.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -177.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.951 HG13 ' HG2' ' A' ' 7' ' ' LYS . 71.0 mt -107.73 126.99 28.6 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.86 174.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.515 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 29.2 Cg_endo -62.15 166.42 12.72 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 123.111 2.541 . . . . 0.0 112.146 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -75.61 170.13 16.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.173 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 58.2 ttp -53.68 -39.13 64.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.853 -174.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.9 -29.81 71.52 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.833 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.475 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 50.6 mttp -94.38 -33.89 12.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.836 -0.214 . . . . 0.0 111.457 -178.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.6 t -62.41 -44.12 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.225 0.536 . . . . 0.0 109.818 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -64.13 -38.31 90.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.385 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.71 -41.27 98.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.883 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.58 -52.03 66.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.53 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.64 88.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.237 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -65.96 -35.7 81.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.874 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -74.71 -34.53 62.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.244 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -86.23 -5.52 59.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.91 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 59.62 55.53 4.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.57 0.7 . . . . 0.0 109.846 -174.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.6 pt -138.2 175.99 7.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.758 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -93.61 147.49 22.96 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -61.37 -29.95 70.23 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.041 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.7 m -59.7 -28.08 67.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.379 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.491 ' HB3' ' HH ' ' A' ' 17' ' ' TYR . 46.4 m-20 -68.94 -24.42 64.27 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.835 0.35 . . . . 0.0 110.818 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.3 mt -93.62 -23.67 18.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.335 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.4 mm . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.641 -175.308 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.447 ' O ' HG13 ' A' ' 9' ' ' ILE . 22.6 tptm . . . . . 0 N--CA 1.46 0.069 0 CA-C-O 120.457 0.17 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.8 -44.31 81.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.248 0.547 . . . . 0.0 110.42 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -61.9 -40.94 97.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.791 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.79 -47.61 74.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.003 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 5' ' ' LYS . 68.2 mt -60.35 -49.11 85.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.839 0.352 . . . . 0.0 110.94 -179.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.11 -48.6 81.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.132 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.418 ' HB3' ' CA ' ' A' ' 45' ' ' GLY . 19.9 p -65.76 -42.1 91.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.261 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -57.21 -45.88 83.43 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 120.537 0.208 . . . . 0.0 111.373 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.08 -57.8 6.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.567 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.0 tp -55.21 -46.02 75.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.189 -175.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.532 ' ND2' ' HG ' ' A' ' 43' ' ' CYS . 21.3 t-20 -64.06 -42.37 97.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.711 -176.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -65.9 -35.54 80.92 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -70.91 -48.95 50.86 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.115 0.483 . . . . 0.0 109.924 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.71 -47.17 92.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.273 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.42 -10.18 59.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.847 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -73.39 -34.38 65.5 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.0 t -82.08 169.39 16.73 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.741 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -100.87 18.46 19.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.218 0.532 . . . . 0.0 110.801 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -89.75 159.16 17.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.582 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.8 p -95.74 153.99 17.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.661 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -40.93 82.68 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.381 0.61 . . . . 0.0 109.587 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.709 HD22 ' HE3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -56.57 -46.09 80.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.754 -1.112 . . . . 0.0 111.385 -179.384 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.96 -44.8 91.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.035 0.445 . . . . 0.0 110.845 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.8 mt -67.42 -38.66 81.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.05 93.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.87 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.709 ' HE3' HD22 ' A' ' 26' ' ' LEU . 99.8 mttt -60.77 -35.35 76.19 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.984 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.7 m -69.18 -31.46 70.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.957 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.1 mm -84.36 -44.7 17.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.482 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.85 -12.23 7.76 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.945 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.1 m -88.78 167.06 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.1 0.476 . . . . 0.0 111.121 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.3 m -92.16 149.28 38.35 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.989 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -52.48 -27.97 34.11 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.9 2.4 . . . . 0.0 112.704 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -56.77 -48.07 78.7 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.193 0.521 . . . . 0.0 110.73 173.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 m -70.69 -40.77 72.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.087 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -61.95 -34.92 76.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.264 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -61.66 -42.18 98.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.49 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.4 p -67.55 -22.18 65.42 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.174 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.459 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 51.6 m0 -79.39 -45.2 20.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.172 0.51 . . . . 0.0 109.848 175.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.532 ' HG ' ' ND2' ' A' ' 15' ' ' ASN . 42.3 t -67.06 -35.91 80.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.261 -177.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -85.92 1.16 51.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.419 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.418 ' CA ' ' HB3' ' A' ' 11' ' ' SER . . . 60.86 48.61 85.38 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.013 179.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.8 mt -104.04 -38.85 5.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.231 0.539 . . . . 0.0 110.043 178.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.79 156.37 48.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.303 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.8 mt -123.93 128.71 25.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.351 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.459 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 74.2 Cg_endo -72.61 159.26 49.22 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 123.227 2.618 . . . . 0.0 112.357 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.42 ' O ' HG23 ' A' ' 54' ' ' VAL . 92.7 mtt180 -96.26 179.5 5.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.993 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 96.9 mmm -50.82 -41.15 57.19 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.701 0.626 . . . . 0.0 112.622 -171.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.29 -34.52 48.16 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.447 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -101.01 -27.15 13.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.1 0.45 . . . . 0.0 111.051 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 50' ' ' ARG . 80.5 t -62.47 -39.36 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.548 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -62.98 -32.27 73.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.276 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.1 -43.99 66.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.848 0.356 . . . . 0.0 110.485 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.21 -45.82 86.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.804 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.29 -28.6 69.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.445 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -78.69 -38.2 39.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.96 0.409 . . . . 0.0 110.468 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -62.94 -36.13 82.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.719 -176.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -101.99 -7.42 22.38 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.532 177.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 51.93 71.27 0.47 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.786 0.803 . . . . 0.0 110.919 -173.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.4 pt -137.16 -179.85 3.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.058 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -95.15 155.39 16.75 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.426 ' O ' HG13 ' A' ' 69' ' ' ILE . 60.1 pttt -60.24 -32.77 71.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.92 0.391 . . . . 0.0 110.287 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.0 m -66.73 -26.56 67.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.626 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -62.05 -25.62 67.79 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.956 0.408 . . . . 0.0 111.418 -177.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.8 mt -94.67 -20.47 19.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.268 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 65' ' ' LYS . 63.9 mt . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -170.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 121.166 0.508 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -66.89 -31.9 72.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.936 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.542 ' HA ' HD11 ' A' ' 48' ' ' ILE . 35.7 ttpt -71.08 -40.48 71.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.694 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.9 92.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.804 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.5 mt -68.3 -49.63 64.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.209 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.539 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 80.7 t80 -56.45 -47.37 79.27 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.913 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.1 t -62.21 -49.43 75.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.677 -178.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -65.12 -38.61 91.23 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.865 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.413 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 62.3 m-20 -58.16 -52.98 63.29 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.66 177.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.416 ' O ' HG13 ' A' ' 18' ' ' ILE . 64.6 tp -64.31 -48.22 76.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.871 -179.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -63.49 -33.84 76.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.346 -174.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.9 m -64.72 -39.44 93.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.626 0.25 . . . . 0.0 111.032 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -68.71 -35.75 77.57 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 14' ' ' LEU . 65.3 mt -65.81 -45.35 91.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.1 0.476 . . . . 0.0 110.453 177.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.63 -31.89 71.36 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.283 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -76.32 -33.96 59.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.194 0.521 . . . . 0.0 110.31 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.0 t -72.29 164.91 25.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.399 176.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -82.31 -31.73 29.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.193 0.52 . . . . 0.0 110.313 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.489 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -70.29 148.33 48.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.355 -173.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.453 ' OG1' ' HG2' ' A' ' 27' ' ' GLU . 51.5 p -89.21 165.99 14.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.262 -176.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -53.19 -40.61 64.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.429 174.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -42.94 77.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.836 -1.074 . . . . 0.0 110.753 -176.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.453 ' HG2' ' OG1' ' A' ' 24' ' ' THR . 58.5 mm-40 -57.91 -43.86 86.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.192 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.52 ' O ' HG12 ' A' ' 32' ' ' ILE . 62.7 mt -66.05 -45.07 91.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.715 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.52 82.34 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.013 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -57.99 -45.6 86.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.432 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -75.67 -30.72 59.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.611 -176.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.52 HG12 ' O ' ' A' ' 28' ' ' ILE . 48.3 mm -72.28 -44.56 63.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 121.017 0.436 . . . . 0.0 110.145 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.41 19.47 7.93 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.136 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.4 m -115.72 159.23 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.855 0.36 . . . . 0.0 110.394 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.6 m -75.83 143.18 74.28 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.146 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -58.22 -29.58 88.06 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.912 2.408 . . . . 0.0 112.862 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -65.09 -35.01 79.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.9 0.381 . . . . 0.0 110.959 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.1 m -75.9 -37.57 58.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.456 0.646 . . . . 0.0 109.411 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -64.74 -35.58 81.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.768 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.19 -44.74 94.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.367 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.415 HG23 HD13 ' A' ' 46' ' ' ILE . 11.5 p -64.68 -22.14 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -178.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.549 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 45.1 m0 -76.61 -43.77 37.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.247 0.546 . . . . 0.0 109.608 175.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 43.8 t -67.38 -32.17 72.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.402 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -83.86 -0.12 49.9 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.3 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.48 30.77 77.1 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.83 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.415 HD13 HG23 ' A' ' 41' ' ' THR . 71.1 mt -89.01 -42.84 14.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.784 0.326 . . . . 0.0 110.53 -178.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.5 153.91 44.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.236 -177.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.542 HD11 ' HA ' ' A' ' 7' ' ' LYS . 89.7 mt -108.6 129.09 24.42 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.567 175.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.549 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 41.5 Cg_endo -64.93 159.28 46.91 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.71 2.274 . . . . 0.0 112.099 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -63.22 156.22 26.02 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.2 ttm -50.2 -40.12 46.17 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.43 0.456 . . . . 0.0 112.184 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.33 -29.95 70.09 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.078 -0.582 . . . . 0.0 113.0 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.699 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -85.32 -34.87 21.76 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.543 -0.387 . . . . 0.0 110.648 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.69 -41.49 88.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.36 0.6 . . . . 0.0 109.76 175.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -61.4 -39.0 89.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.545 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.57 -40.94 93.35 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.754 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.04 -51.2 67.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.443 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.62 -34.41 76.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.668 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.94 -42.0 90.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.291 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -64.33 -36.74 85.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.894 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.429 ' HB2' HG12 ' A' ' 63' ' ' ILE . 73.5 m-85 -84.79 -12.36 53.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.505 177.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.3 t30 62.32 34.27 15.91 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.728 0.775 . . . . 0.0 110.059 -177.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.429 HG12 ' HB2' ' A' ' 61' ' ' PHE . 41.5 pt -111.97 -173.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.054 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -92.62 146.47 23.64 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -68.38 -29.53 68.25 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.0 m -59.63 -32.12 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.537 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.16 -24.46 66.31 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.985 0.421 . . . . 0.0 111.307 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.539 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 70.8 mt -90.88 -21.16 21.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.323 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.1 mt . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.953 -173.573 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.475 ' O ' HG13 ' A' ' 9' ' ' ILE . 43.3 mtpt . . . . . 0 C--O 1.222 -0.355 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -62.87 -35.58 80.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.857 0.361 . . . . 0.0 110.622 -176.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -71.43 -34.94 70.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.011 0.434 . . . . 0.0 110.471 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.09 -43.04 55.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.327 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 5' ' ' LYS . 76.2 mt -61.71 -42.17 93.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.323 178.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -59.95 -48.61 80.99 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.852 0.358 . . . . 0.0 111.096 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -67.92 -38.52 83.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.06 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.14 -42.33 89.24 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -58.98 -50.15 75.17 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.527 175.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 tp -55.53 -46.72 77.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.148 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -58.75 -36.79 74.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.57 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.8 m -55.33 -52.35 63.77 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.095 0.474 . . . . 0.0 110.997 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -76.34 -31.98 58.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.008 -172.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.422 HG21 ' HG2' ' A' ' 25' ' ' GLN . 80.9 mt -73.31 -45.07 53.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.836 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.63 -22.14 61.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -80.03 -39.91 28.87 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.9 m -73.72 173.58 9.61 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.982 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -103.33 -21.73 13.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.755 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.647 ' HE2' ' HG3' ' A' ' 27' ' ' GLU . 8.1 tptm -78.14 145.23 35.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.518 -174.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.441 ' O ' HG13 ' A' ' 28' ' ' ILE . 29.1 p -74.21 157.72 35.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.639 -176.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.471 HE21 ' HE1' ' A' ' 39' ' ' PHE . 53.3 mt-30 -63.46 -36.98 85.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.876 177.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.41 -46.98 85.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.362 175.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.647 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 6.5 mm-40 -59.76 -45.18 93.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.154 178.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.62 ' O ' HG12 ' A' ' 32' ' ' ILE . 72.3 mt -60.13 -52.2 64.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.526 178.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.86 78.89 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.549 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -62.56 -44.73 95.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.974 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.7 m -75.63 -21.32 57.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.271 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.62 HG12 ' O ' ' A' ' 28' ' ' ILE . 39.8 mm -72.87 -44.01 58.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.217 0.532 . . . . 0.0 109.671 172.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 113.83 31.42 2.31 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.031 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.3 m -136.59 176.01 8.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.887 0.375 . . . . 0.0 110.518 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.2 m -89.83 150.44 43.87 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.892 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.99 -24.39 65.07 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.761 2.307 . . . . 0.0 111.95 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.64 -48.52 77.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.78 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.1 m -70.03 -31.62 69.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.633 0.73 . . . . 0.0 110.033 -177.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.471 ' HE1' HE21 ' A' ' 25' ' ' GLN . 32.1 t80 -69.83 -35.81 75.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.105 179.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -69.33 -38.47 78.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.853 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.501 HG23 HD12 ' A' ' 46' ' ' ILE . 3.3 p -65.54 -24.43 67.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.959 0.409 . . . . 0.0 110.977 177.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.463 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 53.8 m0 -77.38 -41.86 38.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.312 0.577 . . . . 0.0 109.831 173.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.9 t -65.24 -29.18 69.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.065 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.3 mmtm -89.12 3.61 51.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.878 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.5 29.46 73.54 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.842 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.501 HD12 HG23 ' A' ' 41' ' ' THR . 71.9 mt -76.26 -41.81 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 121.235 0.54 . . . . 0.0 109.649 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.02 137.62 26.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.295 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 99.2 mt -92.81 120.74 67.01 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.463 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 30.0 Cg_endo -60.08 150.28 79.89 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.888 2.392 . . . . 0.0 111.898 -177.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -66.49 161.88 21.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.187 -177.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.426 ' HE3' ' HB2' ' A' ' 51' ' ' MET . 4.9 ppp? -57.22 -29.47 63.77 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -171.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.98 -28.21 73.47 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.356 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -87.02 -32.81 19.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.841 0.353 . . . . 0.0 110.187 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.42 -36.22 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.112 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -57.59 -43.12 84.37 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.179 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.68 -45.02 92.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.732 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.63 -49.46 75.08 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.896 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.58 -38.2 89.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.202 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -68.95 -39.79 79.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.623 -178.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -58.46 -43.47 88.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.715 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -87.83 -12.16 45.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.3 t30 63.48 49.95 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.989 0.9 . . . . 0.0 109.541 -174.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.7 pt -126.46 -176.46 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.669 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -100.85 156.63 17.26 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -62.49 -29.77 70.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.912 0.387 . . . . 0.0 110.436 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.4 p -68.95 -29.85 68.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.845 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -64.51 -24.05 67.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.13 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.72 -30.8 14.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.222 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.8 mm . . . . . 0 C--N 1.322 -0.587 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -171.279 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 70.7 mmtt . . . . . 0 C--O 1.232 0.156 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -71.37 -36.77 71.57 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.515 ' HA ' HD13 ' A' ' 48' ' ' ILE . 63.8 mttp -58.89 -39.02 80.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.119 173.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.87 -42.32 90.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.726 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.3 mt -60.57 -50.02 82.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.562 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -60.4 -53.98 51.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.944 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.452 ' HB3' ' HA2' ' A' ' 45' ' ' GLY . 30.8 p -63.61 -44.48 93.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.722 -175.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.79 -47.22 87.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.649 0.261 . . . . 0.0 110.824 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.43 -47.24 82.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.573 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.477 ' O ' HG13 ' A' ' 18' ' ' ILE . 54.5 tp -63.19 -47.41 82.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.795 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -56.62 -40.89 76.17 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.642 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -59.37 -47.63 84.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.425 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -63.93 -46.53 84.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.65 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 14' ' ' LEU . 84.2 mt -54.36 -51.69 46.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 120.905 0.383 . . . . 0.0 111.26 -178.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.93 -40.95 87.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.27 -177.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 1.016 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 1.9 mmpt? -76.74 -19.32 57.78 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -176.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -83.42 -13.62 54.42 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.647 0.26 . . . . 0.0 110.493 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 57.58 47.29 16.25 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.842 0.83 . . . . 0.0 109.854 -178.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -126.01 138.91 53.77 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.27 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.431 ' OG1' ' HB2' ' A' ' 27' ' ' GLU . 34.5 p -71.55 150.71 44.5 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.03 -177.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -54.4 -38.12 65.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.414 177.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -63.72 -47.18 82.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.768 -179.706 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.431 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 0.6 OUTLIER -58.75 -46.23 87.92 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.031 0.443 . . . . 0.0 111.079 -178.174 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.3 mt -66.21 -39.33 84.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.246 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.65 -38.89 82.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.103 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 26' ' ' LEU . 29.0 mtpp -60.58 -40.9 93.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.102 0.477 . . . . 0.0 110.832 177.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.0 m -70.31 -23.29 62.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.995 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.1 mt -87.71 -44.58 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.403 0.62 . . . . 0.0 110.253 177.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.66 20.48 8.08 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.534 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.1 m -111.77 173.82 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.954 0.407 . . . . 0.0 110.79 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.7 m -93.74 144.43 28.17 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.475 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.1 -32.47 59.19 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.128 2.552 . . . . 0.0 113.073 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -61.17 -40.11 92.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.15 0.5 . . . . 0.0 110.607 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.5 m -73.55 -39.02 65.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.738 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -64.84 -34.88 79.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.103 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -63.51 -41.35 98.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.846 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.3 p -67.68 -22.31 65.3 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 111.671 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.596 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 50.6 m0 -75.72 -41.26 53.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.175 0.512 . . . . 0.0 109.976 174.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 35.2 t -66.25 -29.25 69.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.759 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -83.2 -6.41 59.47 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.452 ' HA2' ' HB3' ' A' ' 11' ' ' SER . . . 70.07 23.93 76.84 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.883 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.9 mt -81.26 -44.21 20.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.182 0.515 . . . . 0.0 110.292 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.97 153.2 51.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.05 -177.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.515 HD13 ' HA ' ' A' ' 7' ' ' LYS . 93.9 mt -111.79 126.92 27.64 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.745 176.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.596 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 56.4 Cg_endo -68.98 152.28 73.32 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.612 2.208 . . . . 0.0 111.456 176.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -75.32 167.01 22.73 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.8 ptp -54.34 -26.51 30.15 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -172.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.17 -41.6 99.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.108 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.25 -21.21 24.61 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.797 -0.237 . . . . 0.0 111.056 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.432 HG21 HD11 ' A' ' 69' ' ' ILE . 98.3 t -64.75 -42.82 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.033 0.444 . . . . 0.0 110.337 175.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -61.32 -36.52 80.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.707 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.43 -35.52 81.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.43 . . . . 0.0 110.818 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.449 HD22 HD11 ' A' ' 14' ' ' LEU . 66.9 mt -67.76 -51.86 44.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.355 174.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.26 92.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.47 -177.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.7 -34.59 77.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.996 0.427 . . . . 0.0 110.677 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -70.6 -41.9 71.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.02 0.438 . . . . 0.0 110.763 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.484 ' HB2' HG12 ' A' ' 63' ' ' ILE . 60.3 m-85 -86.98 -5.53 59.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 -175.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 66.95 14.8 9.98 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.67 0.748 . . . . 0.0 110.443 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.484 HG12 ' HB2' ' A' ' 61' ' ' PHE . 40.3 pt -91.93 -173.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.016 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -101.6 153.41 19.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.991 0.424 . . . . 0.0 110.518 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -62.43 -30.71 71.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.996 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -32.61 74.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.054 -176.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.85 -35.0 61.03 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.0 mt -93.78 -30.02 15.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.701 -177.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.432 HD11 HG21 ' A' ' 54' ' ' VAL . 47.6 mm . . . . . 0 C--O 1.238 0.459 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -171.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.511 ' O ' HG13 ' A' ' 9' ' ' ILE . 21.7 mttm . . . . . 0 N--CA 1.456 -0.14 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.06 -43.4 98.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.003 0.43 . . . . 0.0 110.169 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.523 ' HA ' HD13 ' A' ' 48' ' ' ILE . 42.5 mtpt -63.21 -36.92 85.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.742 175.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.94 -38.38 86.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.054 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 5' ' ' LYS . 83.8 mt -62.64 -51.43 72.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.732 178.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 87.6 t80 -55.1 -49.7 71.05 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.03 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.481 ' OG ' ' HA2' ' A' ' 45' ' ' GLY . 55.3 m -63.45 -43.65 96.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.492 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -59.49 -47.08 86.88 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.807 0.336 . . . . 0.0 110.684 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -60.73 -55.09 37.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.595 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.458 ' O ' HG13 ' A' ' 18' ' ' ILE . 59.4 tp -58.73 -47.51 84.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.203 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.54 ' HA ' HD13 ' A' ' 18' ' ' ILE . 60.5 t30 -61.92 -33.11 73.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.176 -175.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.5 m -65.6 -42.22 91.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.771 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -67.91 -34.57 76.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.321 . . . . 0.0 110.405 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.54 HD13 ' HA ' ' A' ' 15' ' ' ASN . 92.3 mt -63.0 -48.61 87.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.886 178.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.63 88.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.008 0.433 . . . . 0.0 111.337 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.28 -5.52 52.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.149 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.4 ' C ' ' H ' ' A' ' 23' ' ' LYS . 28.8 t -76.91 -15.76 59.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.594 175.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 73.51 -37.71 0.39 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.714 0.805 . . . . 0.0 111.54 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.557 ' HE3' ' N ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -66.58 157.74 31.6 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 174.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.4 p -86.06 159.2 19.63 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.364 0.602 . . . . 0.0 112.338 -171.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.521 ' HG2' HG21 ' A' ' 18' ' ' ILE . 51.8 mt-30 -57.2 -37.65 72.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.6 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.56 -40.07 94.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.701 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.58 -40.36 94.49 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.179 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.522 HD13 HG22 ' A' ' 18' ' ' ILE . 62.4 mt -72.73 -42.07 61.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.966 177.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.52 -46.58 86.46 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.806 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -26.24 67.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.771 0.32 . . . . 0.0 111.118 -178.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.5 m -77.46 -36.23 53.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.385 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 28' ' ' ILE . 47.5 mm -68.3 -44.1 84.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.88 175.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.93 29.13 3.91 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.28 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.6 m -127.29 161.87 33.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.8 p -72.12 145.46 88.63 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.639 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.88 -35.59 89.36 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.007 2.472 . . . . 0.0 113.47 -176.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -75.55 -24.69 56.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.9 m -74.85 -32.89 62.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.738 0.78 . . . . 0.0 109.191 175.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -71.32 -34.61 70.73 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.034 172.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -68.38 -38.51 81.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.302 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.496 HG21 HD12 ' A' ' 46' ' ' ILE . 1.1 p -64.71 -25.04 67.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.7 0.285 . . . . 0.0 111.243 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.506 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 51.6 m0 -74.6 -38.66 62.55 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 173.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.8 t -66.06 -27.98 68.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.647 177.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -84.3 -5.13 59.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.402 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.481 ' HA2' ' OG ' ' A' ' 11' ' ' SER . . . 66.16 32.11 81.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.729 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.496 HD12 HG21 ' A' ' 41' ' ' THR . 64.4 mt -85.87 -31.99 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.971 0.415 . . . . 0.0 110.827 -178.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.51 148.61 25.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.502 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.523 HD13 ' HA ' ' A' ' 7' ' ' LYS . 80.3 mt -101.2 130.57 24.65 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.344 172.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.526 ' HB2' ' HB3' ' A' ' 53' ' ' LYS . 46.5 Cg_endo -67.0 162.0 40.05 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.617 2.211 . . . . 0.0 111.668 177.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ttt85 -82.83 167.13 18.38 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.5 ptp -50.52 -36.92 36.36 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.051 0.759 . . . . 0.0 113.051 -170.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.33 -35.37 91.4 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.45 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.526 ' HB3' ' HB2' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -85.49 -32.86 22.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.815 0.34 . . . . 0.0 110.161 -178.818 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.426 HG22 ' HG2' ' A' ' 49' ' ' PRO . 84.9 t -62.78 -39.5 85.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.359 177.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -59.69 -37.77 79.71 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.571 178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.74 -42.17 91.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.829 0.347 . . . . 0.0 110.687 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.23 -50.34 70.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.708 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.08 -25.87 66.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.391 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -76.2 -41.59 48.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.739 0.304 . . . . 0.0 110.508 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -56.88 -44.77 82.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.775 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -87.6 -6.0 58.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.274 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 56.6 t30 51.3 65.8 1.38 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.947 -176.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.5 pt -135.34 177.15 7.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.116 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -94.67 156.06 16.58 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -58.29 -30.15 66.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.833 0.349 . . . . 0.0 111.162 -179.771 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.417 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 18.5 m -66.33 -18.29 65.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.869 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.15 -34.01 65.82 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.116 0.484 . . . . 0.0 110.576 176.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 90.4 mt -94.14 -43.44 8.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.449 -177.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 36.1 mm . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.399 -174.582 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -65.25 -32.52 74.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.5 -47.47 81.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.253 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.04 79.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.84 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.8 mt -57.23 -51.01 74.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.844 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -58.81 -54.99 40.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.416 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.1 p -64.83 -41.67 95.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.499 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.63 -47.08 82.81 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.965 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -70.2 -41.97 72.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.849 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.1 tp -59.18 -44.63 92.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.016 0.436 . . . . 0.0 110.115 176.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -60.08 -32.9 71.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.498 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 m -65.54 -36.28 83.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.953 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.526 ' HH ' ' HB3' ' A' ' 67' ' ' ASP . 62.7 m-85 -77.03 -33.68 57.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.557 179.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 86.5 mt -65.08 -46.99 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.388 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.61 -5.14 41.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.201 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 tttp -86.29 -22.92 26.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.333 0.587 . . . . 0.0 109.657 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.1 t -104.28 177.4 4.86 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.975 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.1 -1.19 40.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.038 0.447 . . . . 0.0 110.209 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -77.92 130.19 36.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.977 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.0 p -79.34 168.37 19.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.472 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -57.13 -33.32 67.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.524 175.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.455 HD23 ' HB3' ' A' ' 36' ' ' PRO . 12.1 mt -71.48 -44.26 65.05 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.388 177.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 5.4 mm-40 -65.45 -39.99 92.68 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.902 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.02 -40.13 75.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.12 177.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.94 -45.55 86.45 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.242 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -68.69 -26.7 65.42 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.859 0.361 . . . . 0.0 110.849 -178.749 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.1 m -74.67 -43.76 53.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.299 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.8 mm -70.8 -44.73 75.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.176 0.512 . . . . 0.0 110.184 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.19 31.15 3.38 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.56 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.2 m -122.34 163.37 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 -179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 m -71.11 146.91 93.2 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.901 177.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.455 ' HB3' HD23 ' A' ' 26' ' ' LEU . 14.7 Cg_endo -57.03 -33.14 95.1 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.699 2.266 . . . . 0.0 112.116 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -66.37 -35.79 81.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.154 0.502 . . . . 0.0 110.546 177.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.4 m -67.99 -39.28 83.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.592 0.71 . . . . 0.0 109.298 -177.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -71.22 -34.73 71.09 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.838 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -66.01 -40.13 90.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.084 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 p -65.32 -22.91 66.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.72 0.295 . . . . 0.0 111.447 178.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.497 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 52.4 m0 -77.64 -40.75 40.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.235 0.54 . . . . 0.0 109.885 173.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 46.0 t -63.72 -33.28 75.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.878 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -84.43 -4.92 59.19 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.501 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.97 35.82 92.6 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.629 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 49.5 mm -81.72 -41.59 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.331 0.586 . . . . 0.0 110.074 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.57 154.29 42.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.373 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 98.6 mt -108.36 131.31 21.85 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.577 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.497 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 48.6 Cg_endo -66.64 158.05 57.81 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.932 2.422 . . . . 0.0 111.73 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.5 mtp85 -93.58 -175.68 3.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.729 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 88.9 mtp -56.92 -30.6 64.13 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -171.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.35 -38.65 96.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.762 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -97.12 -28.58 14.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -177.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.4 t -59.71 -36.94 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.129 0.49 . . . . 0.0 109.966 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -59.31 -42.32 91.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.849 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.21 -40.85 77.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.734 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.49 -50.86 67.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.188 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.6 -35.44 79.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.012 0.434 . . . . 0.0 110.889 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.44 -44.34 68.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.141 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -65.25 -36.74 85.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.32 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -90.84 -4.51 56.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 55.48 48.91 17.86 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.357 0.599 . . . . 0.0 110.27 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.4 pt -127.15 -177.71 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.431 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -98.62 161.66 13.55 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.477 ' O ' HG13 ' A' ' 69' ' ' ILE . 63.6 pttt -63.68 -32.2 73.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.304 0.573 . . . . 0.0 109.925 177.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.8 t -66.37 -27.9 68.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.287 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.526 ' HB3' ' HH ' ' A' ' 17' ' ' TYR . 67.1 m-20 -66.87 -25.64 66.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.899 0.381 . . . . 0.0 111.172 -176.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.4 mt -94.56 -23.36 17.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 65' ' ' LYS . 72.7 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.608 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.0 mttt . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 120.692 0.282 . . . . 0.0 111.584 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -64.28 -34.66 78.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.362 -176.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.789 ' HZ2' ' HB2' ' A' ' 7' ' ' LYS . 4.7 ttmp? -63.43 -36.79 84.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.838 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.38 -33.07 62.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.6 mt -72.19 -43.26 66.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.857 176.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.404 ' CD1' ' HB3' ' A' ' 68' ' ' LEU . 67.5 t80 -53.17 -57.33 10.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.834 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.3 p -63.14 -46.94 84.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.663 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -59.32 -48.55 81.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.235 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -72.4 -40.16 67.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.804 -177.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.425 ' O ' HG13 ' A' ' 18' ' ' ILE . 61.1 tp -60.48 -48.88 79.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.994 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.445 ' HA ' HD13 ' A' ' 18' ' ' ILE . 10.1 t-20 -60.18 -35.62 75.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.415 -178.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.1 m -62.11 -43.82 98.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.776 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -66.92 -37.67 84.76 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.561 0.219 . . . . 0.0 110.858 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 15' ' ' ASN . 77.4 mt -60.39 -45.06 97.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.957 0.408 . . . . 0.0 110.286 176.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.06 94.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.887 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.595 ' HZ1' ' HB3' ' A' ' 20' ' ' LYS . 9.9 mtpm? -59.45 -38.16 80.02 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 177.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.1 t -72.25 -21.92 61.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.289 -176.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 58.22 42.1 22.5 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 122.094 0.95 . . . . 0.0 109.109 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.419 ' HD2' HG12 ' A' ' 28' ' ' ILE . 25.3 ttmm -121.34 160.54 23.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.532 -176.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.9 p -88.13 145.02 26.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.703 0.287 . . . . 0.0 110.908 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.45 -37.5 83.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.073 0.463 . . . . 0.0 110.332 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -43.53 94.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.52 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -64.29 -42.46 96.39 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.692 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.495 ' O ' HG12 ' A' ' 32' ' ' ILE . 57.6 mt -63.53 -45.29 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.39 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.18 -39.0 77.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.703 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -65.92 -34.48 78.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.366 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.1 m -75.66 -32.31 60.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.78 0.324 . . . . 0.0 110.825 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 28' ' ' ILE . 47.7 mm -77.54 -44.26 29.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.125 0.488 . . . . 0.0 110.615 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.37 31.73 3.18 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.043 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.12 167.27 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.686 0.279 . . . . 0.0 110.368 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.1 m -72.92 148.57 89.49 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.158 177.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.54 -28.48 85.84 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.442 2.095 . . . . 0.0 111.583 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -68.68 -35.49 77.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.843 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.1 m -70.03 -36.29 74.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.748 0.785 . . . . 0.0 109.308 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -71.03 -34.55 71.4 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.586 175.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.56 -40.88 98.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.044 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 p -65.36 -22.87 66.86 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.801 0.334 . . . . 0.0 111.725 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -83.5 -37.96 22.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.107 0.48 . . . . 0.0 109.779 175.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.9 -37.33 87.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.803 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -81.04 -4.66 55.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.242 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.27 44.36 96.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.132 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.8 mt -89.3 -41.01 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.037 0.446 . . . . 0.0 110.252 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -146.3 148.45 32.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.557 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.8 mt -95.56 124.72 52.08 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.237 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -67.74 155.56 69.49 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.939 2.426 . . . . 0.0 112.005 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -67.4 150.87 48.36 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.605 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 45.7 ttm -51.73 -33.85 36.46 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -173.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.14 -37.37 91.62 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.354 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.27 -28.7 38.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.928 0.394 . . . . 0.0 110.495 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.5 t -63.8 -34.46 68.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.057 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' A' ' 51' ' ' MET . 28.2 mm-40 -54.73 -48.42 72.56 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.509 176.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.4 98.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.002 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.49 -50.85 69.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.778 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.37 -38.95 91.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.071 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.26 -43.96 85.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -62.02 -37.95 86.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.968 -177.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -91.46 -3.59 56.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.054 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 57.96 36.16 25.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.371 -177.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.0 pt -113.26 -177.07 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.292 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -92.39 152.24 19.84 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' HG13 ' A' ' 69' ' ' ILE . 23.9 pttm -64.95 -30.04 71.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.074 0.464 . . . . 0.0 110.089 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.3 m -66.42 -19.06 65.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.663 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -63.04 -29.85 71.14 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.351 0.596 . . . . 0.0 110.471 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.404 ' HB3' ' CD1' ' A' ' 10' ' ' PHE . 78.4 mt -93.37 -19.89 20.88 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.808 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 65' ' ' LYS . 19.9 mt . . . . . 0 CA--C 1.539 0.557 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.159 -173.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.436 ' HE3' HD13 ' A' ' 9' ' ' ILE . 58.3 tptt . . . . . 0 C--O 1.231 0.129 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.78 -44.35 97.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.487 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.652 ' HD3' HG13 ' A' ' 48' ' ' ILE . 17.6 ttpp -70.84 -31.77 68.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.502 -178.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.72 -42.57 95.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.271 175.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.436 HD13 ' HE3' ' A' ' 5' ' ' LYS . 85.3 mt -62.95 -51.67 69.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.521 176.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -54.46 -49.04 70.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.339 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 p -66.27 -42.86 87.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.331 -178.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.19 -45.7 90.52 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.807 0.337 . . . . 0.0 110.487 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -59.0 -55.33 36.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.721 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.516 ' HG ' HD11 ' A' ' 18' ' ' ILE . 59.3 tp -58.47 -44.45 89.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.763 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -56.47 -34.97 67.4 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.976 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.568 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 17.6 m -59.51 -43.19 93.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.73 -178.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -73.8 -37.48 64.92 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.63 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.516 HD11 ' HG ' ' A' ' 14' ' ' LEU . 69.2 mt -64.44 -51.89 62.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.111 -178.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.7 -7.08 54.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.796 -175.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HB2' ' O ' ' A' ' 16' ' ' SER . 26.6 tttp -91.86 -17.12 25.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.167 0.508 . . . . 0.0 110.177 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -90.54 155.35 18.95 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.064 -177.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -81.14 -13.15 58.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.642 173.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -90.27 120.47 31.44 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.305 -0.862 . . . . 0.0 108.899 175.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.0 p -81.47 178.06 8.58 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.753 -171.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -52.59 -33.2 45.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.538 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -70.27 -44.32 68.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.58 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -61.16 -49.84 75.61 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.4 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.46 ' O ' HG12 ' A' ' 32' ' ' ILE . 55.5 mt -65.21 -42.61 94.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.163 -175.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.35 -38.26 76.87 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.492 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.513 ' HB3' ' HZ1' ' A' ' 30' ' ' LYS . 9.3 mtpm? -62.94 -37.34 86.65 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.286 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 m -78.69 -34.53 46.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.145 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 28' ' ' ILE . 49.3 mm -69.77 -44.52 79.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.006 0.432 . . . . 0.0 110.639 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.57 24.72 3.64 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.472 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.4 m -128.88 176.49 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.8 m -88.21 154.63 51.95 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.45 -26.48 63.43 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.516 2.144 . . . . 0.0 111.684 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -67.18 -40.69 86.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.594 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.4 m -66.61 -40.99 89.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.565 0.698 . . . . 0.0 109.445 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -66.74 -34.27 77.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.055 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -33.39 75.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.835 -178.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.4 p -67.73 -37.48 82.26 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.985 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 29.6 m0 -67.8 -36.55 80.63 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.162 0.506 . . . . 0.0 109.811 176.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.28 -36.52 83.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.512 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -83.04 -4.9 58.83 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.242 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.29 32.79 85.37 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.612 -177.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.9 mt -73.43 -52.3 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.832 0.349 . . . . 0.0 110.433 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.64 172.05 13.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.566 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.652 HG13 ' HD3' ' A' ' 7' ' ' LYS . 95.6 mt -119.82 129.72 25.21 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -70.21 155.56 64.17 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.613 2.208 . . . . 0.0 111.878 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.415 ' O ' HG22 ' A' ' 54' ' ' VAL . 80.1 mtt180 -85.41 170.65 12.51 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.467 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.631 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 24.4 ptm -50.25 -35.46 27.06 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.793 0.683 . . . . 0.0 112.64 -172.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.17 -46.17 56.81 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 121.178 -0.534 . . . . 0.0 113.15 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -92.5 -22.4 19.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 50' ' ' ARG . 78.6 t -61.04 -42.6 93.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 110.755 177.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.631 ' HG2' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -67.15 -32.39 73.47 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.95 74.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.665 177.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.15 -50.3 73.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.696 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.84 -28.59 70.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.318 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -74.34 -39.2 62.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -71.94 -31.66 66.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.855 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -92.85 -6.32 49.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.771 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 m120 57.87 42.74 22.65 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.529 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.6 pt -122.98 178.48 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.585 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -98.78 170.77 8.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.702 0.287 . . . . 0.0 110.523 -176.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.722 ' HZ2' ' HB2' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -57.81 -37.08 73.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.509 176.214 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 m -61.96 -43.94 97.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.398 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -61.63 -23.37 66.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.819 -174.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.2 mt -90.81 -31.16 16.6 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.8 mm . . . . . 0 C--N 1.326 -0.43 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -170.266 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.444 ' O ' HG13 ' A' ' 9' ' ' ILE . 21.6 pttm . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.442 ' OE1' ' HG2' ' A' ' 5' ' ' LYS . 1.1 mp0 -57.61 -46.8 83.63 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.236 0.541 . . . . 0.0 109.814 174.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.4 ' HA ' HD11 ' A' ' 48' ' ' ILE . 40.5 ttmt -63.7 -37.56 87.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.437 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.78 -35.12 60.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.691 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 5' ' ' LYS . 94.5 mt -71.2 -47.03 62.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.458 0.171 . . . . 0.0 110.971 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -54.92 -46.95 74.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.637 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.5 p -70.06 -42.55 72.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.991 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -58.14 -51.01 71.49 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.78 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.7 -55.75 31.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.562 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.588 ' O ' HG13 ' A' ' 18' ' ' ILE . 52.3 tp -55.35 -51.29 67.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.013 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.481 ' HA ' HD13 ' A' ' 18' ' ' ILE . 25.9 t-20 -61.35 -36.84 81.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.969 -175.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.3 m -68.02 -40.65 82.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.065 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -66.65 -40.15 88.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.633 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.588 HG13 ' O ' ' A' ' 14' ' ' LEU . 78.8 mt -55.47 -44.13 74.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.995 0.426 . . . . 0.0 110.805 177.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.85 -29.41 64.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.5 -178.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -80.62 -40.33 25.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.748 0.309 . . . . 0.0 111.071 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.2 m -67.77 -30.12 69.5 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 120.802 0.334 . . . . 0.0 110.147 175.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 58.67 69.7 0.71 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.265 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -133.42 157.88 44.46 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.455 ' OG1' ' HB2' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -75.19 136.22 41.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.733 0.302 . . . . 0.0 111.246 -178.665 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -60.39 -41.69 94.36 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.596 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.626 ' HG ' ' HG3' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -57.01 -43.59 81.94 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.709 177.622 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.455 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 1.4 tm-20 -59.65 -49.91 75.92 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.583 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.482 ' O ' HG13 ' A' ' 32' ' ' ILE . 55.0 mt -59.59 -47.91 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.646 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.11 92.35 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.984 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -63.3 -41.08 98.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.508 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.3 t -71.4 -19.38 62.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.045 0.45 . . . . 0.0 110.881 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 28' ' ' ILE . 96.4 mt -81.95 -44.78 20.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.114 0.483 . . . . 0.0 110.25 176.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 113.44 23.12 5.24 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.547 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.5 m -125.12 -176.19 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.3 m -101.7 156.72 34.86 Favored Pre-proline 0 C--N 1.319 -0.739 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.626 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 33.8 Cg_exo -56.65 -30.19 82.64 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.693 2.262 . . . . 0.0 112.301 178.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -63.93 -39.74 94.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.13 0.49 . . . . 0.0 110.358 174.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.5 m -67.34 -40.27 85.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.735 0.779 . . . . 0.0 109.059 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -64.74 -34.99 79.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.205 177.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -64.41 -37.81 88.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.343 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.4 p -64.83 -23.9 67.38 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.815 0.341 . . . . 0.0 111.079 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.413 ' CD1' ' HD3' ' A' ' 49' ' ' PRO . 26.5 m0 -88.8 -40.99 12.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.061 0.458 . . . . 0.0 109.978 177.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 35.6 t -65.44 -37.46 86.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.381 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.458 ' HB3' HG13 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -83.66 -0.95 52.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.305 178.201 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.49 46.34 94.01 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.251 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.458 HG13 ' HB3' ' A' ' 44' ' ' LYS . 73.8 mt -93.09 -49.22 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.857 0.36 . . . . 0.0 110.274 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.49 153.3 51.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.542 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.4 HD11 ' HA ' ' A' ' 7' ' ' LYS . 95.7 mt -105.36 125.75 32.67 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.841 177.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.418 ' HB2' ' HB2' ' A' ' 53' ' ' LYS . 63.6 Cg_endo -70.58 172.55 13.23 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.882 2.388 . . . . 0.0 112.089 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.4 ' O ' HG22 ' A' ' 54' ' ' VAL . 95.2 mtt180 -92.5 168.4 11.29 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.617 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 10.6 mmt -50.84 -42.2 58.41 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -173.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.06 -33.35 64.11 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.666 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 94.7 mttt -86.01 -34.66 20.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.936 0.398 . . . . 0.0 110.418 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 50' ' ' ARG . 61.8 t -62.97 -34.69 67.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.536 177.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' A' ' 51' ' ' MET . 28.8 mm-40 -60.97 -37.8 83.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 178.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.65 -41.22 79.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.846 0.355 . . . . 0.0 110.481 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.15 -49.51 77.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.441 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.12 -29.26 70.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.536 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -78.16 -40.61 37.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.846 -178.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.46 ' CE2' HG12 ' A' ' 28' ' ' ILE . 66.5 t80 -60.82 -41.66 96.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.78 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -87.02 -13.23 45.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.324 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 61.05 33.43 19.61 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.653 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.443 HG13 ' H ' ' A' ' 64' ' ' ASN . 1.5 pt -104.56 -87.31 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.499 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.443 ' H ' HG13 ' A' ' 63' ' ' ILE . 15.4 t-20 -176.12 163.0 2.58 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 176.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -69.68 -30.45 68.11 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.082 0.467 . . . . 0.0 110.105 176.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.2 m -62.89 -41.65 99.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.499 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -62.71 -25.22 68.06 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.703 -177.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.36 -39.84 10.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.58 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.5 mm . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.745 -174.158 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.6 pttm . . . . . 0 N--CA 1.457 -0.075 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -39.66 86.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.352 0.596 . . . . 0.0 109.905 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.439 ' HA ' HD13 ' A' ' 48' ' ' ILE . 9.3 mtpm? -71.76 -26.8 62.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.288 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.75 -37.82 58.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.931 0.396 . . . . 0.0 110.693 177.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.4 mt -66.39 -51.61 56.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.374 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -54.02 -48.41 70.52 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.475 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.461 ' HB3' ' HA2' ' A' ' 45' ' ' GLY . 13.7 p -67.07 -46.89 72.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.865 -176.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.68 -41.07 76.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.944 0.402 . . . . 0.0 110.865 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.41 -53.7 32.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.38 178.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.3 tp -58.29 -39.72 80.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.675 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.659 ' ND2' ' HG ' ' A' ' 43' ' ' CYS . 3.5 t-20 -56.13 -40.47 73.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.351 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -65.82 -42.78 90.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.89 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -65.07 -39.04 92.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.978 0.418 . . . . 0.0 110.824 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.9 mt -71.21 -41.83 75.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.993 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.2 -29.62 69.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.925 0.393 . . . . 0.0 111.36 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -72.02 -31.23 65.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.335 0.588 . . . . 0.0 110.126 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.9 t -67.43 143.78 56.08 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.362 -176.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -87.99 -0.24 56.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.266 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -90.74 -177.39 4.98 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.195 0.521 . . . . 0.0 111.651 -175.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.473 ' O ' HG13 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -104.14 151.02 23.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.725 -178.635 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -66.17 -41.52 90.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.216 0.532 . . . . 0.0 109.796 178.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.649 ' HG ' ' HG3' ' A' ' 36' ' ' PRO . 1.3 tt -56.05 -47.31 78.14 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.532 174.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -60.99 -43.27 99.1 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 114.595 -1.184 . . . . 0.0 111.493 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.534 ' O ' HG12 ' A' ' 32' ' ' ILE . 78.0 mt -64.48 -53.59 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.587 177.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.09 94.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.79 -176.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.416 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 9.1 tmtt? -60.92 -39.67 90.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.122 -178.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.8 m -72.22 -27.87 62.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 28' ' ' ILE . 47.4 mm -70.3 -44.94 77.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-O 121.177 0.513 . . . . 0.0 110.233 176.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.8 20.17 4.64 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.687 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.5 m -128.02 169.84 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -82.85 144.34 47.97 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.364 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.649 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 11.6 Cg_endo -58.13 -28.69 84.74 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.779 2.319 . . . . 0.0 111.777 175.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.595 HE22 ' HG2' ' A' ' 36' ' ' PRO . 2.5 mp0 -59.2 -39.67 83.37 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.117 176.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.5 m -78.45 -37.65 43.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.044 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -61.97 -37.0 83.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.735 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -61.1 -42.54 98.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.506 HG21 HD12 ' A' ' 46' ' ' ILE . 40.1 p -69.26 -24.9 64.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.476 -178.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.642 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 51.5 m0 -73.04 -42.64 62.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.327 0.584 . . . . 0.0 109.532 174.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.659 ' HG ' ' ND2' ' A' ' 15' ' ' ASN . 17.5 t -67.67 -29.57 68.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.217 -177.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -89.21 0.57 56.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.641 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.461 ' HA2' ' HB3' ' A' ' 11' ' ' SER . . . 74.32 13.44 81.49 Favored Glycine 0 C--O 1.235 0.167 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.59 178.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.506 HD12 HG21 ' A' ' 41' ' ' THR . 68.5 mt -66.97 -45.09 87.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.959 0.409 . . . . 0.0 110.036 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.28 160.53 40.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.025 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 7' ' ' LYS . 31.9 mt -118.43 134.41 23.45 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.719 175.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.685 ' HB2' ' HB2' ' A' ' 53' ' ' LYS . 69.8 Cg_endo -72.25 169.46 21.52 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.89 2.393 . . . . 0.0 112.631 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -86.89 176.02 7.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.866 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.556 ' HE1' ' HA ' ' A' ' 51' ' ' MET . 0.3 OUTLIER -50.5 -47.81 57.15 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -171.522 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.74 -28.5 63.05 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.384 -0.436 . . . . 0.0 113.102 -177.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.685 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 3.4 mptp? -89.13 -38.52 14.26 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -61.51 -42.42 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.715 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -65.04 -33.53 76.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.78 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.75 -42.24 77.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.28 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.5 -48.76 76.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.718 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.18 -30.89 71.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.223 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.36 -35.9 40.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.84 0.353 . . . . 0.0 110.493 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -58.27 -40.91 83.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.885 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -94.1 -6.98 43.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.01 179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 64.4 t30 55.49 67.75 0.97 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.63 -174.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.7 pt -139.07 -175.06 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.716 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -106.43 178.71 4.48 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.875 -0.416 . . . . 0.0 109.875 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HE3' ' HB2' ' A' ' 65' ' ' LYS . 13.6 ptmt -67.73 -35.71 79.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.686 0.279 . . . . 0.0 110.537 177.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.425 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 16.3 m -60.58 -38.1 83.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.576 -175.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -56.79 -34.28 67.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.604 -176.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.5 mt -94.54 -28.75 15.26 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.6 mm . . . . . 0 C--O 1.236 0.389 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -172.655 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.2 tttm . . . . . 0 N--CA 1.467 0.393 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -59.56 -42.7 93.03 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -173.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -65.21 -36.95 85.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.71 0.291 . . . . 0.0 111.506 -177.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.12 -43.72 82.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.71 -51.25 58.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.635 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -55.82 -49.4 73.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.036 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.517 ' HB2' ' HA3' ' A' ' 45' ' ' GLY . 40.0 t -61.36 -51.67 67.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.09 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -62.83 -36.38 83.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.876 0.369 . . . . 0.0 111.276 -173.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -72.51 -55.74 6.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.816 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.43 ' O ' HG13 ' A' ' 18' ' ' ILE . 50.5 tp -61.49 -45.58 93.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.548 -176.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -58.39 -38.96 78.39 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.069 0.461 . . . . 0.0 110.757 -175.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.1 m -62.04 -44.46 96.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.124 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -70.57 -31.86 69.04 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.389 -0.194 . . . . 0.0 111.061 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 14' ' ' LEU . 84.0 mt -63.81 -40.16 88.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.225 0.536 . . . . 0.0 110.21 176.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.46 -37.27 63.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.464 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -72.28 -33.98 67.84 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 p -75.94 -26.53 56.97 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.156 0.503 . . . . 0.0 109.656 174.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 62.56 30.78 17.1 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.685 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -94.47 150.33 20.37 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.94 174.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.501 ' OG1' ' HB2' ' A' ' 27' ' ' GLU . 1.3 p -75.79 146.32 40.07 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.946 0.403 . . . . 0.0 111.421 -176.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -58.87 -38.75 79.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.829 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -44.98 94.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.249 177.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.501 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 0.8 OUTLIER -61.35 -52.06 66.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.885 -178.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.497 ' O ' HG12 ' A' ' 32' ' ' ILE . 61.6 mt -64.8 -40.36 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.109 -178.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.42 -43.22 75.1 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.521 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -64.43 -42.64 95.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.067 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.1 m -66.36 -29.7 69.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.497 HG12 ' O ' ' A' ' 28' ' ' ILE . 39.6 mm -74.56 -43.55 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.048 0.452 . . . . 0.0 110.346 176.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.57 18.54 4.41 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.321 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.3 m -126.67 173.87 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.721 0.296 . . . . 0.0 110.649 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.6 m -85.07 155.18 60.83 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.08 176.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -56.77 -29.91 82.62 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.72 2.28 . . . . 0.0 112.147 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -66.03 -40.34 90.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.458 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.9 m -70.41 -37.07 74.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.707 0.765 . . . . 0.0 109.306 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -69.05 -34.69 75.59 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.961 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -64.47 -38.39 90.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.478 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.447 HG22 HD12 ' A' ' 46' ' ' ILE . 31.9 p -69.96 -22.68 63.14 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.011 -0.275 . . . . 0.0 111.279 177.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -76.99 -40.94 44.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.968 0.414 . . . . 0.0 110.055 175.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.1 t -64.9 -37.75 88.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.378 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.531 ' HB3' HG13 ' A' ' 46' ' ' ILE . 21.2 mmtt -71.02 -18.11 62.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.844 174.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.517 ' HA3' ' HB2' ' A' ' 11' ' ' SER . . . 69.89 39.19 75.55 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.152 -175.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.531 HG13 ' HB3' ' A' ' 44' ' ' LYS . 71.8 mt -85.47 -40.35 14.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.105 0.478 . . . . 0.0 110.594 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.54 147.67 41.53 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.738 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 48' ' ' ILE . 4.3 mp -111.79 125.25 30.65 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.464 ' HB2' ' HB2' ' A' ' 53' ' ' LYS . 74.0 Cg_endo -75.13 174.66 12.41 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.987 2.458 . . . . 0.0 112.283 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.419 ' HB3' ' H ' ' A' ' 51' ' ' MET . 31.7 mtm180 -99.98 -168.09 1.55 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.419 ' H ' ' HB3' ' A' ' 50' ' ' ARG . 53.0 tpp -50.34 -47.1 56.04 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.844 -168.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.7 -34.07 80.42 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 113.207 -175.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.464 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 9.7 mptt -92.87 -34.76 13.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.534 0.207 . . . . 0.0 111.065 -177.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.62 -42.8 96.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.781 0.324 . . . . 0.0 110.311 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -63.4 -38.92 93.02 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.86 -40.44 95.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.605 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.87 -50.13 67.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.234 176.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.31 -43.97 88.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.409 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -63.87 -42.04 97.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.204 0.526 . . . . 0.0 110.74 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -65.53 -33.3 75.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.004 -176.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -100.29 5.76 44.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.446 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 56.41 54.49 7.51 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.595 0.712 . . . . 0.0 111.011 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.9 pt -136.69 -171.45 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.806 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.4 ' HB2' ' OD1' ' A' ' 67' ' ' ASP . 35.9 m-80 -100.73 162.09 13.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.799 0.333 . . . . 0.0 110.191 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -60.21 -31.58 70.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.265 0.555 . . . . 0.0 110.952 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -72.62 -20.83 61.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.03 -176.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.4 ' OD1' ' HB2' ' A' ' 64' ' ' ASN . 6.5 m-20 -67.75 -24.72 65.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.112 0.482 . . . . 0.0 111.098 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.5 mt -92.98 -20.64 20.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.3 mm . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.986 -176.924 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.878 0.371 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -64.16 -32.95 74.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.234 -175.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.515 ' HA ' HD13 ' A' ' 48' ' ' ILE . 41.4 mtpt -66.66 -32.54 73.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.974 0.416 . . . . 0.0 110.733 177.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.61 -37.37 59.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.4 174.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.7 mt -63.11 -48.83 85.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.997 178.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -59.67 -51.66 68.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.1 p -62.26 -37.32 85.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.809 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.75 -52.83 63.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.006 0.432 . . . . 0.0 110.449 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -67.63 -43.0 81.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.008 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.5 tp -61.71 -45.04 95.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 110.376 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -65.97 -34.04 77.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.559 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.1 t -53.95 -45.06 71.18 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.208 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -69.3 -49.26 57.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.965 0.412 . . . . 0.0 110.549 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.3 mt -64.09 -39.74 86.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.598 -175.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.18 -31.98 66.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.306 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -71.84 -41.02 68.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.269 0.556 . . . . 0.0 109.591 176.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.6 t -64.47 154.17 36.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.174 -176.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -99.15 24.01 8.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.946 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.534 ' HE3' ' HG3' ' A' ' 27' ' ' GLU . 41.7 tptt -109.09 150.76 27.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.661 -179.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 p -81.15 146.89 30.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.017 0.436 . . . . 0.0 111.834 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -61.04 -40.28 93.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.363 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.56 -45.91 81.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.824 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.534 ' HG3' ' HE3' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -57.8 -47.37 82.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.161 0.505 . . . . 0.0 110.671 -179.521 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.592 ' O ' HG12 ' A' ' 32' ' ' ILE . 62.9 mt -65.56 -48.89 81.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.636 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.33 84.15 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.718 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -64.12 -39.13 93.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.5 m -67.88 -34.69 77.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.882 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.592 HG12 ' O ' ' A' ' 28' ' ' ILE . 48.5 mm -65.14 -44.36 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.242 0.544 . . . . 0.0 109.537 174.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 118.33 18.78 4.85 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.021 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.93 160.04 20.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.993 0.425 . . . . 0.0 110.625 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.7 m -73.62 146.98 86.57 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.188 176.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.68 -26.21 71.79 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.605 2.204 . . . . 0.0 111.401 176.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -63.52 -43.48 97.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.302 176.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.6 m -70.82 -39.06 73.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.35 0.595 . . . . 0.0 109.843 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -63.42 -34.66 78.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.909 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -66.49 -39.69 88.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.019 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.0 p -68.07 -22.95 64.91 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.717 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.586 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 54.6 m0 -76.3 -45.16 33.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.241 0.543 . . . . 0.0 109.547 173.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.5 t -62.54 -31.05 71.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.527 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.796 ' HA ' ' HE2' ' A' ' 44' ' ' LYS . 6.9 mmpt? -85.75 -3.73 58.98 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.526 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.1 24.81 75.8 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.903 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.4 mt -77.74 -37.6 24.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.306 0.574 . . . . 0.0 110.13 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.21 150.1 33.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.168 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.515 HD13 ' HA ' ' A' ' 7' ' ' LYS . 86.8 mt -106.54 128.36 26.38 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.691 176.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 42.7 Cg_endo -64.97 153.37 78.57 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.547 2.165 . . . . 0.0 111.538 178.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.457 ' O ' HG21 ' A' ' 54' ' ' VAL . 48.8 mtt180 -90.51 173.93 7.81 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -178.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 82.8 mtp -54.97 -30.78 59.83 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -170.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.59 -45.15 96.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.565 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.585 ' N ' ' HE2' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -85.62 -31.49 22.55 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.48 -0.423 . . . . 0.0 111.078 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.457 HG21 ' O ' ' A' ' 50' ' ' ARG . 65.2 t -63.98 -34.16 66.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.805 0.336 . . . . 0.0 110.289 178.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -52.92 -42.47 65.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.74 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.412 ' HB3' HG21 ' A' ' 32' ' ' ILE . . . -69.78 -40.02 76.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.759 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.4 -48.12 82.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.513 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.97 -28.58 69.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.077 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.67 -41.84 59.56 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.095 0.474 . . . . 0.0 110.752 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -64.07 -40.61 96.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.965 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -91.0 -6.99 53.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.293 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.2 m120 54.78 57.71 5.45 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.511 0.672 . . . . 0.0 111.237 -176.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.5 pt -134.49 -171.84 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.823 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -96.71 160.43 14.38 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.7 -32.56 74.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.061 0.458 . . . . 0.0 110.212 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.7 p -74.63 -26.06 59.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.721 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -61.81 -24.88 67.15 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -172.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.87 -19.85 22.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.736 0.303 . . . . 0.0 111.473 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.0 mm . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.102 -174.793 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.484 ' O ' HG13 ' A' ' 9' ' ' ILE . 61.6 mttp . . . . . 0 C--O 1.226 -0.136 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -58.49 -42.94 88.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.075 0.464 . . . . 0.0 110.866 -178.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -66.99 -36.53 82.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.861 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.0 -31.97 64.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.07 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 5' ' ' LYS . 85.7 mt -66.53 -42.5 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 174.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -57.83 -47.87 81.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.981 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 p -67.44 -46.85 71.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.098 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -57.83 -41.6 82.63 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.323 0.583 . . . . 0.0 110.327 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.82 -51.56 64.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.265 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 18' ' ' ILE . 43.6 tp -58.5 -48.05 82.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.335 -179.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -58.92 -32.86 69.94 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.717 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.3 m -58.67 -37.76 76.71 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -75.8 -46.52 30.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.99 178.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.523 HD11 ' HG ' ' A' ' 14' ' ' LEU . 52.3 mt -60.8 -40.82 86.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.619 -174.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.25 -12.83 60.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.793 -176.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -104.13 -17.64 14.83 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.142 0.496 . . . . 0.0 110.407 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.9 t -83.1 168.36 16.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.088 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -90.22 -3.68 57.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.281 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.609 ' HG2' ' OH ' ' A' ' 60' ' ' TYR . 1.9 mptm? -86.52 149.15 25.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.621 -176.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.5 p -98.35 167.37 10.88 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.378 176.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -60.17 -33.86 72.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.279 0.562 . . . . 0.0 110.303 178.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mt -68.05 -41.54 81.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.352 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -62.39 -50.75 70.3 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.559 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.463 ' O ' HG12 ' A' ' 32' ' ' ILE . 58.8 mt -63.37 -44.48 99.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.84 -177.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.99 -42.14 79.7 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.793 0.33 . . . . 0.0 111.064 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.467 ' C ' ' HD2' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -60.31 -43.91 95.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.51 177.819 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.3 m -74.99 -18.74 60.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.769 -174.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 28' ' ' ILE . 50.5 mm -87.52 -44.7 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.04 0.448 . . . . 0.0 109.925 175.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.56 28.6 2.28 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.032 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.414 ' HB ' ' HB ' ' A' ' 38' ' ' THR . 27.0 m -131.53 176.74 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.772 0.32 . . . . 0.0 110.721 -178.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 m -84.24 156.53 63.07 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.54 -33.66 93.34 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.577 2.185 . . . . 0.0 111.781 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -73.97 -27.67 61.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.347 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.414 ' HB ' ' HB ' ' A' ' 34' ' ' VAL . 1.8 m -71.14 -38.18 72.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -71.35 -40.52 70.63 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.284 -1.325 . . . . 0.0 110.456 177.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -68.23 -32.7 73.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.926 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.51 HG23 HD13 ' A' ' 46' ' ' ILE . 1.9 p -67.32 -33.79 76.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.78 0.324 . . . . 0.0 110.665 176.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.505 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 35.0 m0 -70.17 -38.63 75.46 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 171.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 96.3 m -62.45 -31.25 71.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.254 177.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.425 ' HB3' ' HE3' ' A' ' 44' ' ' LYS . 26.7 mtpp -84.75 -3.55 58.64 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 177.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.61 29.36 74.45 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.61 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.51 HD13 HG23 ' A' ' 41' ' ' THR . 75.6 mt -72.87 -49.48 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.126 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.82 156.77 46.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.069 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.2 mt -100.23 129.41 28.22 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.505 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 37.5 Cg_endo -64.82 169.3 11.86 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.625 2.217 . . . . 0.0 112.055 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.403 ' O ' HG21 ' A' ' 54' ' ' VAL . 9.8 ttm180 -75.9 160.32 30.03 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 48.6 ttm -50.43 -41.75 52.94 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -168.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.36 -47.57 90.44 Favored Glycine 0 CA--C 1.516 0.153 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.933 -177.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -76.47 -22.01 55.11 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.74 -0.271 . . . . 0.0 111.589 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.489 HG22 ' HG2' ' A' ' 49' ' ' PRO . 94.3 t -65.4 -42.69 94.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 173.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -66.74 -32.97 74.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.125 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.84 -42.68 94.74 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.737 176.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.14 -49.79 76.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.799 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.21 91.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.83 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.3 -45.42 93.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.041 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . 0.609 ' OH ' ' HG2' ' A' ' 23' ' ' LYS . 85.2 t80 -59.46 -38.75 81.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.146 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -90.23 4.86 49.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.959 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 64.55 18.44 11.38 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.185 174.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.1 pt -111.58 179.42 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.033 0.444 . . . . 0.0 111.503 -174.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -93.36 162.6 13.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.563 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -66.07 -33.67 76.32 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.031 0.443 . . . . 0.0 110.109 179.277 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.41 ' N ' ' HG2' ' A' ' 65' ' ' LYS . 13.5 m -66.94 -21.2 65.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.866 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -73.78 -25.48 60.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 110.445 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 86.3 mt -93.81 -37.06 11.96 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.248 177.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.8 mm . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.004 -179.297 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.3 pttt . . . . . 0 CA--C 1.529 0.17 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -73.84 -30.72 62.83 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.744 -175.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 41.8 ttmt -62.3 -42.9 99.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.305 175.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.66 -40.89 92.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.8 -51.29 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.402 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.467 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 91.9 t80 -56.34 -49.8 73.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.413 -178.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 23.9 p -61.14 -45.99 92.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.106 -177.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -69.33 -42.42 75.37 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -59.58 -52.28 66.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.708 0.29 . . . . 0.0 110.716 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.461 ' O ' HG13 ' A' ' 18' ' ' ILE . 58.2 tp -62.98 -41.11 99.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.84 0.352 . . . . 0.0 110.481 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 11' ' ' SER . 13.1 t-20 -56.28 -44.72 80.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.44 -177.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.7 p -60.64 -47.73 84.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.169 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -60.28 -38.55 83.94 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.657 0.265 . . . . 0.0 110.937 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 14' ' ' LEU . 88.2 mt -63.72 -48.64 85.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.931 0.396 . . . . 0.0 110.627 178.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.21 -32.63 74.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.469 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -76.04 -29.91 58.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.65 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.9 t -77.95 -11.85 59.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.382 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 65.28 14.24 9.29 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.517 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -87.97 150.34 23.5 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 120.851 0.358 . . . . 0.0 110.123 178.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.3 p -81.47 160.6 23.94 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 176.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -60.01 -36.73 77.85 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.384 0.611 . . . . 0.0 109.38 175.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.83 -44.89 91.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.905 177.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.11 -53.2 59.92 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.436 ' O ' HG13 ' A' ' 32' ' ' ILE . 53.7 mt -68.57 -42.67 83.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.88 -177.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.93 -45.66 91.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.978 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.458 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 8.0 tmtm? -63.08 -38.14 89.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.081 0.467 . . . . 0.0 109.952 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.4 m -67.42 -28.26 67.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.066 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 28' ' ' ILE . 73.9 mt -86.87 -44.76 16.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.98 0.419 . . . . 0.0 110.82 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.32 -13.89 8.31 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.096 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -82.78 159.02 3.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.819 0.343 . . . . 0.0 110.849 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 m -76.54 144.02 73.11 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.131 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.84 -33.55 88.75 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.108 2.539 . . . . 0.0 112.787 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -58.78 -45.39 89.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.924 0.392 . . . . 0.0 110.571 177.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.6 m -67.65 -38.42 83.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.62 0.724 . . . . 0.0 109.591 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.64 -42.17 98.17 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.08 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -69.29 -33.32 73.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.363 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.8 p -68.11 -23.29 64.89 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.825 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.667 ' CE2' ' HB3' ' A' ' 49' ' ' PRO . 31.5 m0 -77.57 -45.73 24.41 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 172.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.4 m -58.3 -37.16 74.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.825 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -89.15 10.49 21.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.715 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.08 40.38 93.44 Favored Glycine 0 C--N 1.329 0.186 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.872 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 72.9 mt -92.52 -58.76 3.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.246 0.546 . . . . 0.0 109.801 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.54 155.21 40.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.498 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.2 mt -100.98 129.12 27.92 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.667 ' HB3' ' CE2' ' A' ' 42' ' ' TRP . 61.6 Cg_endo -70.83 145.7 51.64 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.497 2.131 . . . . 0.0 111.482 177.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -76.7 169.72 17.77 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.124 178.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 51.1 ttp -59.29 -27.74 66.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -167.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.99 -32.05 82.78 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.289 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 3.2 mptp? -90.63 -36.05 14.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.722 0.296 . . . . 0.0 110.455 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.54 -39.89 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.056 0.455 . . . . 0.0 110.149 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.63 -41.6 95.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.739 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.87 85.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.18 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.56 -50.79 69.95 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.866 0.365 . . . . 0.0 110.45 177.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.49 72.39 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.657 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.44 -46.82 65.84 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.237 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -67.69 -38.52 83.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.139 0.495 . . . . 0.0 110.843 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -89.12 -6.13 57.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.143 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.9 m120 53.87 49.65 18.6 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.392 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.6 pt -129.46 -171.7 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.656 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -97.4 159.53 14.86 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -68.87 -30.6 69.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.996 0.427 . . . . 0.0 110.781 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.9 m -71.75 -22.56 61.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.401 -178.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -64.62 -27.91 69.26 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.954 0.407 . . . . 0.0 110.97 -178.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.467 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 97.8 mt -93.76 -20.73 19.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.314 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.8 mm . . . . . 0 C--N 1.329 -0.305 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -174.346 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.6 tptt . . . . . 0 C--O 1.234 0.241 0 CA-C-O 120.772 0.32 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -67.14 -40.81 86.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.321 -173.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.438 ' HA ' HD11 ' A' ' 48' ' ' ILE . 97.8 mttt -56.45 -34.4 66.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 111.166 178.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.91 -46.72 56.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.983 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.4 mt -68.3 -51.43 47.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.708 0.289 . . . . 0.0 110.958 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -58.56 -49.19 78.32 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.303 -177.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.5 t -68.74 -35.44 77.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.816 -177.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.85 -52.23 65.93 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.352 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -59.84 -46.88 87.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.7 tp -56.54 -45.87 80.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.399 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.57 ' ND2' ' HG ' ' A' ' 43' ' ' CYS . 0.5 OUTLIER -57.91 -41.87 83.55 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.139 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.2 m -56.91 -51.6 68.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.356 -177.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -67.9 -43.55 79.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.103 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 86.9 mt -60.7 -47.57 92.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.855 0.36 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.31 -17.37 62.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.8 -176.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -81.44 -15.91 53.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.047 0.451 . . . . 0.0 111.416 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.0 t -100.5 139.53 36.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.722 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -100.51 94.88 6.37 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.589 ' HE2' ' HG3' ' A' ' 27' ' ' GLU . 71.0 tttt -161.64 -174.0 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -177.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.571 ' H ' ' HG2' ' A' ' 23' ' ' LYS . 12.6 p -101.55 138.31 38.71 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.403 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -61.45 -34.09 74.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.554 177.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.424 ' HG ' ' HG3' ' A' ' 36' ' ' PRO . 1.1 tt -54.37 -46.55 73.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.889 176.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.589 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 1.3 tm-20 -56.76 -45.6 81.98 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.152 0.501 . . . . 0.0 110.671 179.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.47 ' O ' HG13 ' A' ' 32' ' ' ILE . 54.9 mt -63.88 -47.99 88.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.617 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.24 -39.47 92.94 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.032 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.442 ' C ' ' HD3' ' A' ' 30' ' ' LYS . 13.5 tmtt? -62.92 -41.08 99.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.451 178.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.8 t -65.53 -40.49 92.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.467 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 28' ' ' ILE . 76.5 mt -64.08 -44.53 97.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.14 0.495 . . . . 0.0 110.175 176.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.72 23.95 5.44 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.073 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.2 m -123.7 174.46 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.6 0.238 . . . . 0.0 110.657 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.4 m -85.6 146.49 44.22 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 120.906 0.384 . . . . 0.0 110.618 178.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.424 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 52.4 Cg_exo -54.61 -37.01 90.88 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 123.112 2.541 . . . . 0.0 113.033 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -69.8 -28.72 65.97 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.644 0.259 . . . . 0.0 111.618 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.3 m -71.64 -38.8 70.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -67.35 -37.48 83.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.456 -1.247 . . . . 0.0 109.871 175.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -63.37 -44.16 95.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.503 HG21 HD11 ' A' ' 46' ' ' ILE . 3.1 p -63.64 -32.16 73.55 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.603 0.239 . . . . 0.0 111.593 179.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.486 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 43.3 m0 -70.01 -41.68 74.0 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.237 0.541 . . . . 0.0 109.791 175.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.57 ' HG ' ' ND2' ' A' ' 15' ' ' ASN . 31.9 t -71.54 -15.29 62.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.981 -177.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -94.97 -4.36 46.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 120.744 0.307 . . . . 0.0 110.923 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.91 25.13 70.09 Favored Glycine 0 N--CA 1.453 -0.168 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.005 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.503 HD11 HG21 ' A' ' 41' ' ' THR . 65.8 mt -80.59 -39.4 18.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.053 0.454 . . . . 0.0 110.617 -179.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.69 156.79 42.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.67 -178.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.438 HD11 ' HA ' ' A' ' 7' ' ' LYS . 97.3 mt -115.21 126.66 27.56 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.018 177.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.486 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 83.0 Cg_endo -73.6 166.49 29.66 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.229 2.619 . . . . 0.0 112.422 -179.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -79.77 174.89 11.13 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.893 0.378 . . . . 0.0 111.425 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.5 tpt -53.27 -34.7 58.33 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.063 -175.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.95 -31.08 60.96 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.875 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.46 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 13.9 mptt -99.26 -35.77 9.86 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.846 -0.208 . . . . 0.0 110.848 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.0 t -61.69 -42.03 92.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 110.767 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.469 ' NE2' ' HB2' ' A' ' 59' ' ' ASP . 1.0 OUTLIER -59.94 -42.56 94.26 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.037 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.17 -36.9 85.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.206 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.2 mt -60.38 -51.16 70.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.088 0.47 . . . . 0.0 110.689 177.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.71 -22.73 62.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.019 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.469 ' HB2' ' NE2' ' A' ' 55' ' ' GLN . 14.7 t70 -77.87 -41.07 37.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.614 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -59.18 -40.92 87.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.083 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -90.48 -7.95 51.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.854 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.9 t30 55.93 67.66 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.672 -176.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.8 pt -136.78 -168.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.298 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.415 ' HB2' ' OD2' ' A' ' 67' ' ' ASP . 53.5 m-80 -90.94 156.14 18.2 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 175.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.643 ' H ' ' HD2' ' A' ' 65' ' ' LYS . 9.1 mptt -68.02 -36.11 79.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.41 0.624 . . . . 0.0 109.334 -178.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.5 p -68.46 -19.3 64.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.79 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.415 ' OD2' ' HB2' ' A' ' 64' ' ' ASN . 5.1 m-20 -65.82 -30.49 71.13 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.991 0.424 . . . . 0.0 111.021 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.4 mt -93.39 -20.72 20.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.114 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 65' ' ' LYS . 41.5 mt . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.633 -174.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.494 ' HZ2' ' HB3' ' A' ' 5' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.158 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -67.88 -32.92 73.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.223 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -61.97 -46.01 91.15 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.252 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.16 -42.73 88.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.279 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.2 mt -63.74 -51.29 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -57.97 -49.94 75.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.216 -178.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.2 p -65.29 -46.33 80.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.715 -175.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -67.07 -36.37 81.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.92 0.391 . . . . 0.0 110.554 -178.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -62.35 -52.29 64.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.678 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.466 ' O ' HG13 ' A' ' 18' ' ' ILE . 65.3 tp -61.15 -45.01 96.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.009 178.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -56.36 -37.43 70.04 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.655 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.452 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 49.2 m -62.22 -40.55 96.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.12 177.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.41 ' HH ' ' HB3' ' A' ' 67' ' ' ASP . 58.2 m-85 -66.93 -45.55 77.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.645 0.26 . . . . 0.0 110.718 178.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 14' ' ' LEU . 63.9 mt -55.49 -51.41 57.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.282 -177.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.25 -26.75 62.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.02 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 16' ' ' SER . 25.4 mttp -93.67 -0.87 55.87 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -175.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.6 m -98.6 -5.33 32.13 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.788 173.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 52.79 47.19 25.22 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.944 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -130.89 145.59 52.06 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.7 p -84.33 160.48 20.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.993 0.425 . . . . 0.0 111.422 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -58.59 -38.47 78.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.452 0.644 . . . . 0.0 109.606 175.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -60.93 -48.81 80.09 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.418 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -61.59 -35.38 77.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 0.0 111.787 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.0 mt -74.28 -47.55 40.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.784 0.326 . . . . 0.0 110.724 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.67 -30.75 70.93 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.039 0.447 . . . . 0.0 110.754 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.12 -42.09 76.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.515 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.7 t -77.41 -32.6 54.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.994 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.442 HD12 HD22 ' A' ' 57' ' ' LEU . 62.1 mt -74.39 -44.89 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -177.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.04 39.91 2.39 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.688 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 19.7 m -133.44 159.75 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.543 0.211 . . . . 0.0 110.693 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.2 m -77.47 145.42 71.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.583 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.1 -33.29 97.2 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 123.114 2.542 . . . . 0.0 113.259 -177.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -66.48 -31.58 72.41 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.023 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.3 m -78.61 -30.0 46.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.637 0.732 . . . . 0.0 109.692 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -71.23 -35.15 71.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.934 175.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -63.32 -36.83 84.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.991 -177.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -32.36 73.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.615 0.245 . . . . 0.0 111.421 177.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.548 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 27.1 m0 -74.99 -43.93 51.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.429 0.633 . . . . 0.0 109.683 176.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.9 t -67.23 -28.41 68.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.18 -177.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.579 ' HD3' HD13 ' A' ' 46' ' ' ILE . 32.1 tttp -85.17 -2.61 58.21 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.233 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.2 31.23 64.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 113.121 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.579 HD13 ' HD3' ' A' ' 44' ' ' LYS . 61.6 mt -89.61 -37.18 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.941 0.401 . . . . 0.0 110.765 -179.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.5 163.16 40.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.929 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.3 mt -111.95 134.64 21.34 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.655 176.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.548 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 60.5 Cg_endo -69.95 173.72 10.73 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.507 2.138 . . . . 0.0 112.086 178.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.409 ' O ' HG23 ' A' ' 54' ' ' VAL . 57.2 ttt180 -70.19 159.29 34.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.139 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 54.1 tpp -51.18 -45.83 61.92 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -172.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.11 -39.21 96.81 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.598 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -73.48 -29.36 62.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.659 0.266 . . . . 0.0 111.095 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 50' ' ' ARG . 93.9 t -65.69 -41.2 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.225 0.536 . . . . 0.0 109.645 173.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -63.2 -35.02 78.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.891 176.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.81 -35.91 82.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 110.732 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.442 HD22 HD12 ' A' ' 32' ' ' ILE . 77.7 mt -64.61 -51.96 59.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.396 176.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.99 82.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.821 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.76 -45.98 92.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.019 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -67.33 -31.13 71.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.183 -175.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -89.68 -5.0 57.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.919 0.39 . . . . 0.0 110.667 176.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.5 t30 59.18 52.34 6.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.672 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.7 pt -135.77 -171.49 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.124 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -102.35 159.84 15.06 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 176.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -65.9 -28.78 69.19 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -59.17 -25.65 64.1 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.288 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.41 ' HB3' ' HH ' ' A' ' 17' ' ' TYR . 25.5 m-20 -76.1 -24.63 55.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.404 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.7 mt -94.49 -43.4 8.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.338 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.5 mm . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.258 -175.171 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.558 ' O ' HG13 ' A' ' 9' ' ' ILE . 52.0 tttm . . . . . 0 C--O 1.228 -0.041 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.53 ' HA ' HD11 ' A' ' 9' ' ' ILE . 6.6 tp-100 -55.79 -35.73 66.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.55 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -66.65 -35.65 80.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.021 0.438 . . . . 0.0 110.756 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.02 -34.05 59.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.543 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 5' ' ' LYS . 77.9 mt -60.4 -50.84 78.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.213 177.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -53.91 -45.11 71.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.235 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.4 t -61.23 -52.55 64.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.889 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.19 -53.32 59.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.497 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -64.42 -44.16 92.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.581 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.553 ' O ' HG13 ' A' ' 18' ' ' ILE . 42.3 tp -61.24 -47.84 84.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.532 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -57.98 -35.81 71.72 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.812 -178.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 m -61.42 -42.24 98.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -77.62 -37.19 50.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.124 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 14' ' ' LEU . 79.7 mt -57.71 -50.05 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.768 0.318 . . . . 0.0 110.902 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.08 -34.24 77.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.501 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -79.08 -26.39 43.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.732 -178.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.7 t -78.64 -33.26 47.35 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 173.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 65.07 28.45 12.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.275 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -96.65 145.25 25.94 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 167.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.2 p -71.53 156.53 39.32 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.594 -174.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -57.82 -35.52 70.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.288 0.566 . . . . 0.0 109.843 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.0 mt -61.35 -49.87 75.21 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.739 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -61.04 -43.19 99.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.746 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.511 ' O ' HG12 ' A' ' 32' ' ' ILE . 63.9 mt -64.68 -47.09 90.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.715 178.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.17 87.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.771 0.319 . . . . 0.0 110.685 178.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -58.81 -42.08 88.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.635 175.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -67.82 -40.71 83.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.808 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 28' ' ' ILE . 46.2 mm -69.3 -43.14 81.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.124 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.89 26.19 4.81 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.231 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.5 m -129.58 164.48 32.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.683 0.278 . . . . 0.0 110.558 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.3 m -71.88 144.15 87.62 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.269 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.77 -30.45 92.05 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 123.068 2.512 . . . . 0.0 112.505 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.469 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 44.2 mt-30 -75.2 -22.91 57.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.813 0.339 . . . . 0.0 111.32 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 m -77.61 -37.0 51.18 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -62.51 -35.09 78.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.707 173.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . 0.469 ' HB3' ' O ' ' A' ' 37' ' ' GLN . 2.8 t30 -54.07 -48.28 70.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.898 178.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 p -67.56 -24.22 65.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.725 0.298 . . . . 0.0 111.673 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.522 ' CE2' ' HB3' ' A' ' 49' ' ' PRO . 49.3 m0 -79.85 -47.79 14.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.28 0.562 . . . . 0.0 110.036 177.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 46.6 t -64.15 -29.11 70.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.054 -177.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -80.46 -8.19 59.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.586 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.22 37.25 80.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.962 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.6 mt -89.07 -39.32 12.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.53 147.41 27.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.199 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.6 mt -100.22 127.14 34.01 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.522 ' HB3' ' CE2' ' A' ' 42' ' ' TRP . 56.9 Cg_endo -68.64 174.46 8.46 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 123.017 2.478 . . . . 0.0 112.632 -178.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -75.91 153.52 36.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.855 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -50.95 -30.5 15.06 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.15 -47.53 60.75 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 121.439 -0.41 . . . . 0.0 113.184 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -89.35 -23.49 22.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.881 0.341 . . . . 0.0 111.191 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.5 t -62.79 -44.36 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.025 0.44 . . . . 0.0 110.192 176.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.453 ' OE1' ' HE2' ' A' ' 65' ' ' LYS . 51.7 tp60 -65.18 -32.59 74.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.0 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.53 -43.16 90.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.668 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.4 mt -59.17 -51.06 71.62 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.591 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.37 94.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.211 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -68.85 -36.49 78.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -61.17 -38.98 88.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.839 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -90.4 3.53 53.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.777 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 54.18 48.23 21.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.387 -177.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.3 pt -122.93 -172.24 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.234 176.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -101.65 160.33 14.55 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.622 ' O ' HG13 ' A' ' 69' ' ' ILE . 20.0 ptpt -58.31 -30.81 66.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.242 0.544 . . . . 0.0 109.598 177.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 m -60.26 -29.28 68.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.355 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.61 -28.95 70.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.137 0.494 . . . . 0.0 110.77 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.9 mt -95.14 -20.86 18.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.404 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' ' 65' ' ' LYS . 24.6 mt . . . . . 0 C--N 1.33 -0.269 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -174.198 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.727 ' HB2' ' HZ1' ' A' ' 5' ' ' LYS . 4.7 ttmp? . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 121.126 0.489 . . . . 0.0 110.479 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -59.5 -34.9 73.17 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.422 176.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.594 ' HG2' HG13 ' A' ' 48' ' ' ILE . 64.5 mttp -71.13 -29.05 64.76 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.316 -178.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.91 -39.84 75.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.049 0.452 . . . . 0.0 110.079 177.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.7 mt -67.06 -44.44 88.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.896 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.559 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 89.5 t80 -55.34 -53.71 52.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.136 178.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 p -65.14 -46.15 82.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.753 -176.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -60.22 -42.31 94.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.632 0.253 . . . . 0.0 111.064 -177.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -63.86 -43.49 95.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.455 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.419 ' O ' HG13 ' A' ' 18' ' ' ILE . 31.2 tp -59.74 -51.37 70.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.585 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -55.98 -45.18 79.03 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.911 0.386 . . . . 0.0 111.303 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.8 m -60.15 -42.09 94.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.982 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -74.44 -38.79 62.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.83 0.348 . . . . 0.0 111.073 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.484 HG21 ' HG2' ' A' ' 25' ' ' GLN . 80.6 mt -67.89 -47.27 79.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.238 -178.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.09 -25.08 65.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.787 0.327 . . . . 0.0 111.366 -177.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -81.42 -20.98 39.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.195 0.522 . . . . 0.0 110.396 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.9 t -82.15 160.49 23.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.298 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.6 -34.59 58.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.365 -178.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -76.52 150.19 36.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.513 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.0 p -88.88 171.93 9.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.292 0.568 . . . . 0.0 111.731 -176.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.484 ' HG2' HG21 ' A' ' 18' ' ' ILE . 53.3 mt-30 -54.79 -37.1 65.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.298 173.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.87 -38.75 83.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.529 -178.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.79 -49.55 70.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.783 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.453 ' O ' HG13 ' A' ' 32' ' ' ILE . 62.5 mt -62.49 -44.03 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 -178.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.72 93.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.878 0.37 . . . . 0.0 111.061 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -68.27 -38.39 81.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.744 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.7 t -61.22 -43.08 99.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.271 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 28' ' ' ILE . 64.5 mt -69.56 -44.69 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.309 177.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.95 31.32 2.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.304 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.434 ' CG1' ' HD3' ' A' ' 53' ' ' LYS . 34.7 m -119.81 157.05 22.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.771 0.319 . . . . 0.0 110.544 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.6 m -69.44 144.31 94.3 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.773 176.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.87 -26.39 67.27 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.128 1.886 . . . . 0.0 111.903 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -64.54 -44.2 91.59 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 121.001 0.429 . . . . 0.0 110.676 175.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 m -69.03 -42.94 75.69 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.576 0.703 . . . . 0.0 109.269 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.92 -38.68 83.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.969 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -65.16 -45.01 86.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.904 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.406 HG23 HD11 ' A' ' 46' ' ' ILE . 26.5 p -64.22 -25.8 68.23 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.438 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.429 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 50.5 m0 -75.75 -45.98 33.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.203 0.525 . . . . 0.0 109.812 174.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 t -71.21 -18.78 62.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.037 -176.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -91.6 -3.99 55.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.313 176.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.26 29.08 66.89 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.563 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.406 HD11 HG23 ' A' ' 41' ' ' THR . 67.2 mt -84.52 -40.69 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.035 0.445 . . . . 0.0 110.361 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.68 154.95 38.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.18 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.594 HG13 ' HG2' ' A' ' 7' ' ' LYS . 73.3 mt -114.85 129.84 24.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . 0.429 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 40.7 Cg_endo -65.57 -170.42 0.17 Allowed 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.066 2.51 . . . . 0.0 112.802 -178.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.581 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 3.6 mmp_? -87.64 162.45 17.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.201 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.6 ptp -53.57 -34.42 58.27 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.545 0.528 . . . . 0.0 112.183 -171.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.81 -40.64 98.63 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.489 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.434 ' HD3' ' CG1' ' A' ' 34' ' ' VAL . 14.8 ttmt -84.39 -29.35 26.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.775 0.321 . . . . 0.0 110.225 -177.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.404 ' HA ' HD12 ' A' ' 57' ' ' LEU . 90.5 t -63.78 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 171.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.88 -37.58 87.48 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.153 175.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.59 87.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.751 0.31 . . . . 0.0 111.04 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 54' ' ' VAL . 81.5 mt -62.8 -51.54 66.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.378 176.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.8 74.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.786 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.88 -42.17 97.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.743 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -64.28 -38.06 89.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.961 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.48 ' HB2' HG12 ' A' ' 63' ' ' ILE . 90.7 m-85 -92.65 -4.28 53.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.7 t30 61.91 27.5 16.72 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.559 0.695 . . . . 0.0 110.789 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.48 HG12 ' HB2' ' A' ' 61' ' ' PHE . 35.0 pt -107.93 -171.67 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.667 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -95.71 152.94 18.01 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -62.91 -29.08 70.5 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.098 0.475 . . . . 0.0 109.981 176.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.3 p -68.03 -24.85 65.15 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.142 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.92 -24.62 67.08 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.841 0.353 . . . . 0.0 111.173 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.559 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 91.1 mt -93.63 -20.91 19.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.898 0.38 . . . . 0.0 111.031 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.8 mm . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -172.515 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.3 mttt . . . . . 0 N--CA 1.46 0.061 0 N-CA-C 111.488 0.181 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -56.64 -37.08 70.26 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.062 0.458 . . . . 0.0 110.288 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 0.525 ' HZ2' ' HB2' ' A' ' 7' ' ' LYS . 4.9 ttmp? -64.32 -45.13 89.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.37 178.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.29 -45.04 64.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.453 -177.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.0 mt -63.68 -46.28 95.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.892 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -59.06 -45.12 91.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.955 0.407 . . . . 0.0 110.225 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.524 ' HB2' ' HA3' ' A' ' 45' ' ' GLY . 45.6 t -60.43 -53.75 53.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.942 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.83 -46.13 90.84 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.229 -176.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -62.5 -57.33 11.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.758 -176.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.9 tp -61.38 -39.26 90.02 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.948 -177.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.524 ' HB2' ' O ' ' A' ' 11' ' ' SER . 6.5 t-20 -58.19 -35.87 72.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.512 -179.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -66.4 -42.4 87.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.443 -177.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -65.35 -42.03 93.28 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.055 0.455 . . . . 0.0 109.921 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.7 mt -67.25 -39.5 83.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.194 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.86 -29.54 67.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.003 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -81.64 -33.9 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.955 0.407 . . . . 0.0 110.47 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.8 m -66.8 145.08 55.88 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.234 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -75.95 -24.16 55.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.095 0.474 . . . . 0.0 110.219 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -77.12 134.31 38.75 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.638 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.4 p -82.19 177.27 8.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.774 -174.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -55.32 -37.4 67.35 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.468 174.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.45 -50.34 63.68 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.71 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -64.27 -37.21 86.68 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.818 -175.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.19 -49.41 67.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.719 0.295 . . . . 0.0 110.316 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.59 80.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -57.29 -39.16 75.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.454 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.4 t -79.33 -25.16 42.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.963 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.3 mt -82.44 -44.75 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 110.656 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.81 4.12 15.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.3 m -100.18 156.14 4.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.4 m -69.74 149.01 96.76 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.794 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.92 -35.55 80.52 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.785 2.323 . . . . 0.0 112.257 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -66.22 -31.28 72.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.415 178.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.8 m -72.54 -44.91 61.5 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -65.87 -34.63 78.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.243 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -58.06 -43.82 87.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.971 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.4 p -63.8 -31.2 72.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.73 0.3 . . . . 0.0 111.296 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -74.1 -43.72 56.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.064 0.459 . . . . 0.0 110.203 177.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . 0.516 ' HG ' ' ND2' ' A' ' 15' ' ' ASN . 49.2 t -67.67 -36.43 80.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.591 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.531 ' HB3' HG13 ' A' ' 46' ' ' ILE . 3.9 tmtm? -75.25 -11.99 60.19 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 176.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.524 ' HA3' ' HB2' ' A' ' 11' ' ' SER . . . 69.78 38.93 76.82 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.63 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.531 HG13 ' HB3' ' A' ' 44' ' ' LYS . 80.5 mt -84.68 -42.15 16.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.089 0.471 . . . . 0.0 110.227 178.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.16 153.81 36.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.644 -178.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 98.7 mt -103.27 127.29 30.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.722 176.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -68.23 179.18 3.05 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.443 2.762 . . . . 0.0 113.01 -177.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -79.39 161.47 26.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.28 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.4 ptp -53.7 -33.61 56.05 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.59 0.556 . . . . 0.0 112.085 -175.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.31 -37.07 94.27 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.754 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -89.21 -27.22 20.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.727 -0.278 . . . . 0.0 110.947 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.64 -40.36 88.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 172.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -60.31 -38.88 85.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.262 175.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.81 94.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.077 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.28 -49.4 77.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.394 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.15 -32.82 74.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.157 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -72.72 -41.4 65.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.656 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -59.95 -44.94 94.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.184 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -87.38 -9.55 54.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.257 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.8 t30 59.14 57.61 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.768 0.794 . . . . 0.0 110.233 -176.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.5 pt -133.64 178.23 5.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.914 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -96.3 168.87 10.31 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -64.85 -32.23 73.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.243 0.544 . . . . 0.0 110.128 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.5 m -73.89 -20.98 60.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.51 -177.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.73 -23.98 67.42 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.729 0.299 . . . . 0.0 111.332 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -94.06 -19.9 20.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.255 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 66.9 mt . . . . . 0 C--N 1.327 -0.383 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -171.815 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.389 0.137 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.8 t 60.38 66.72 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 121.756 0.789 . . . . 0.0 109.659 -172.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.28 141.84 51.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.831 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.49 126.12 30.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.994 0.426 . . . . 0.0 110.663 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.481 ' O ' HG13 ' A' ' 9' ' ' ILE . 50.1 tptt -67.16 -34.38 77.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.083 -175.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -59.68 -49.32 78.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.664 -0.243 . . . . 0.0 110.847 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.951 ' HG2' HG13 ' A' ' 48' ' ' ILE . 33.1 mtmm -63.26 -30.16 71.35 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.167 -0.213 . . . . 0.0 111.35 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.26 -31.12 65.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.881 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.481 HG13 ' O ' ' A' ' 5' ' ' LYS . 86.4 mt -76.3 -49.24 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.765 0.317 . . . . 0.0 110.194 176.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -53.53 -49.11 68.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.931 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.1 p -65.56 -42.36 91.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.758 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.532 ' HG3' ' HE2' ' A' ' 72' ' ' LYS . 22.6 tp10 -55.95 -48.71 75.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.402 . . . . 0.0 110.673 178.242 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -67.91 -48.0 67.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.228 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.01 -48.21 82.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.761 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -58.48 -32.37 68.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.385 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.45 ' O ' ' HD2' ' A' ' 20' ' ' LYS . 38.4 m -59.18 -48.58 81.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.755 0.312 . . . . 0.0 110.41 177.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.491 ' HH ' ' HB3' ' A' ' 67' ' ' ASP . 91.2 m-85 -69.43 -40.37 77.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.037 -178.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.15 -47.05 94.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.52 -7.22 50.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.612 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.45 ' HD2' ' O ' ' A' ' 16' ' ' SER . 0.6 OUTLIER -90.38 -11.59 40.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.11 0.481 . . . . 0.0 110.067 175.301 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.9 t -99.76 159.11 15.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.751 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -100.94 4.39 42.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.862 0.363 . . . . 0.0 110.456 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -87.95 134.3 33.75 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.617 173.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.7 p -71.99 165.27 24.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.169 0.509 . . . . 0.0 111.794 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -56.52 -36.66 69.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.142 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.14 -29.26 68.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.704 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -70.59 -52.85 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.807 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.3 mt -63.68 -36.9 78.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.978 -176.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.85 -40.89 73.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.045 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -70.48 -38.47 74.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.87 0.367 . . . . 0.0 110.764 -177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -65.36 -38.14 89.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.818 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.1 mm -72.56 -44.58 60.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.243 178.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.83 37.43 1.55 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.056 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.3 m -130.89 176.43 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.75 0.31 . . . . 0.0 110.452 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.3 m -94.04 152.53 40.51 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.18 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.24 -35.37 95.51 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.901 2.401 . . . . 0.0 112.741 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -67.01 -31.2 71.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.209 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.8 m -72.66 -39.1 67.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.359 0.6 . . . . 0.0 109.564 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -71.23 -34.78 71.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.174 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -59.46 -42.75 92.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.77 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.3 p -70.71 -27.63 64.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.596 0.236 . . . . 0.0 111.178 -177.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.515 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 50.1 m0 -69.72 -45.0 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.114 0.483 . . . . 0.0 109.858 175.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.9 t -67.59 -27.28 66.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.894 -177.399 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -88.72 -0.07 56.96 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.334 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.06 34.4 89.82 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 121.247 -0.501 . . . . 0.0 113.143 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.1 mt -89.52 -33.63 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.018 0.437 . . . . 0.0 110.354 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.55 151.24 33.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -177.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.951 HG13 ' HG2' ' A' ' 7' ' ' LYS . 71.0 mt -107.73 126.99 28.6 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.86 174.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.515 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 29.2 Cg_endo -62.15 166.42 12.72 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 123.111 2.541 . . . . 0.0 112.146 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -75.61 170.13 16.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.173 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 58.2 ttp -53.68 -39.13 64.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.853 -174.493 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.9 -29.81 71.52 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.833 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.475 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 50.6 mttp -94.38 -33.89 12.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.836 -0.214 . . . . 0.0 111.457 -178.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.6 t -62.41 -44.12 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.225 0.536 . . . . 0.0 109.818 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -64.13 -38.31 90.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.385 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.71 -41.27 98.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.883 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -60.58 -52.03 66.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.53 178.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.64 88.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.237 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -65.96 -35.7 81.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.874 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -74.71 -34.53 62.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.244 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -86.23 -5.52 59.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.91 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 59.62 55.53 4.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.57 0.7 . . . . 0.0 109.846 -174.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.6 pt -138.2 175.99 7.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.758 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -93.61 147.49 22.96 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -61.37 -29.95 70.23 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.041 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.7 m -59.7 -28.08 67.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.379 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.491 ' HB3' ' HH ' ' A' ' 17' ' ' TYR . 46.4 m-20 -68.94 -24.42 64.27 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.835 0.35 . . . . 0.0 110.818 -179.776 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.3 mt -93.62 -23.67 18.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.335 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.4 mm -88.79 -42.23 14.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.641 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -87.3 149.95 24.2 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 120.824 0.345 . . . . 0.0 111.123 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.465 ' OD1' ' HG2' ' A' ' 73' ' ' LYS . 10.5 t70 -67.09 153.69 43.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.783 -174.8 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.532 ' HE2' ' HG3' ' A' ' 12' ' ' GLU . 53.5 mtmt -78.83 41.53 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.146 0.498 . . . . 0.0 111.296 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.465 ' HG2' ' OD1' ' A' ' 71' ' ' ASP . 49.7 mmtm -83.68 46.93 1.21 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.927 176.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.3 mt -70.47 74.6 0.55 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.37 -173.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -117.75 105.86 12.43 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 169.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 43.0 mm -57.87 128.29 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.353 0.597 . . . . 0.0 111.542 -173.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -140.3 124.65 17.81 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 178.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -42.89 125.56 3.52 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 124.603 1.19 . . . . 0.0 112.274 -171.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.8 p -118.67 88.38 34.7 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.056 -174.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.69 120.34 8.18 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.391 2.061 . . . . 0.0 111.494 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.533 HG12 ' HG ' ' A' ' 83' ' ' SER . 15.7 tt -128.49 141.05 47.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.993 179.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -82.38 67.68 8.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.241 0.543 . . . . 0.0 111.0 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.533 ' HG ' HG12 ' A' ' 81' ' ' ILE . 15.7 p -172.99 178.56 2.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.454 178.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -93.75 59.57 2.12 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.049 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -96.47 149.04 22.18 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.7 t -78.12 137.59 38.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.034 0.445 . . . . 0.0 111.28 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -139.52 147.52 41.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.603 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -113.69 162.54 16.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.999 0.428 . . . . 0.0 111.83 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -134.4 146.85 50.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.844 176.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -104.23 -71.49 0.73 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.004 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 67.99 102.19 0.05 Allowed 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.814 0.697 . . . . 0.0 112.115 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -142.44 132.12 24.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.0 172.555 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -79.07 111.17 15.01 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.319 0.581 . . . . 0.0 110.313 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 . . . . . 0 C--O 1.248 0.977 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.539 -177.521 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.885 ' HG2' HG21 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.885 HG21 ' HG2' ' A' ' 1' ' ' MET . 21.1 t 71.83 9.46 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 121.669 0.747 . . . . 0.0 110.925 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -91.84 143.79 26.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.967 -0.458 . . . . 0.0 110.895 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -136.04 164.44 28.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.743 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.447 ' O ' HG13 ' A' ' 9' ' ' ILE . 22.6 tptm -61.95 -47.3 85.48 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.983 0.177 . . . . 0.0 111.101 -177.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.8 -44.31 81.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.248 0.547 . . . . 0.0 110.42 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -61.9 -40.94 97.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.791 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.79 -47.61 74.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.003 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 5' ' ' LYS . 68.2 mt -60.35 -49.11 85.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.839 0.352 . . . . 0.0 110.94 -179.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.11 -48.6 81.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.132 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.418 ' HB3' ' CA ' ' A' ' 45' ' ' GLY . 19.9 p -65.76 -42.1 91.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.261 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -57.21 -45.88 83.43 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 120.537 0.208 . . . . 0.0 111.373 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.08 -57.8 6.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.567 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.0 tp -55.21 -46.02 75.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.189 -175.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.532 ' ND2' ' HG ' ' A' ' 43' ' ' CYS . 21.3 t-20 -64.06 -42.37 97.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.711 -176.284 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -65.9 -35.54 80.92 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -70.91 -48.95 50.86 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.115 0.483 . . . . 0.0 109.924 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.71 -47.17 92.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.273 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.42 -10.18 59.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.847 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -73.39 -34.38 65.5 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.0 t -82.08 169.39 16.73 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.741 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -100.87 18.46 19.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.218 0.532 . . . . 0.0 110.801 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -89.75 159.16 17.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.582 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.8 p -95.74 153.99 17.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.661 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -40.93 82.68 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.381 0.61 . . . . 0.0 109.587 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.709 HD22 ' HE3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -56.57 -46.09 80.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.754 -1.112 . . . . 0.0 111.385 -179.384 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.96 -44.8 91.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.035 0.445 . . . . 0.0 110.845 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.8 mt -67.42 -38.66 81.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.05 93.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.87 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.709 ' HE3' HD22 ' A' ' 26' ' ' LEU . 99.8 mttt -60.77 -35.35 76.19 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.984 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.7 m -69.18 -31.46 70.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.957 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.1 mm -84.36 -44.7 17.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.482 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.85 -12.23 7.76 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.945 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.1 m -88.78 167.06 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.1 0.476 . . . . 0.0 111.121 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.3 m -92.16 149.28 38.35 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.989 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -52.48 -27.97 34.11 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.9 2.4 . . . . 0.0 112.704 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -56.77 -48.07 78.7 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.193 0.521 . . . . 0.0 110.73 173.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 m -70.69 -40.77 72.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.087 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -61.95 -34.92 76.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.264 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -61.66 -42.18 98.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.49 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.4 p -67.55 -22.18 65.42 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.174 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.459 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 51.6 m0 -79.39 -45.2 20.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.172 0.51 . . . . 0.0 109.848 175.302 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.532 ' HG ' ' ND2' ' A' ' 15' ' ' ASN . 42.3 t -67.06 -35.91 80.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.261 -177.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -85.92 1.16 51.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.419 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.418 ' CA ' ' HB3' ' A' ' 11' ' ' SER . . . 60.86 48.61 85.38 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.013 179.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.8 mt -104.04 -38.85 5.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.231 0.539 . . . . 0.0 110.043 178.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.79 156.37 48.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.303 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.8 mt -123.93 128.71 25.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.351 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.459 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 74.2 Cg_endo -72.61 159.26 49.22 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 123.227 2.618 . . . . 0.0 112.357 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.42 ' O ' HG23 ' A' ' 54' ' ' VAL . 92.7 mtt180 -96.26 179.5 5.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.993 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 96.9 mmm -50.82 -41.15 57.19 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.701 0.626 . . . . 0.0 112.622 -171.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.29 -34.52 48.16 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.447 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -101.01 -27.15 13.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.1 0.45 . . . . 0.0 111.051 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 50' ' ' ARG . 80.5 t -62.47 -39.36 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.548 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -62.98 -32.27 73.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.276 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.1 -43.99 66.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.848 0.356 . . . . 0.0 110.485 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.21 -45.82 86.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.804 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.29 -28.6 69.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.445 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -78.69 -38.2 39.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.96 0.409 . . . . 0.0 110.468 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -62.94 -36.13 82.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.719 -176.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -101.99 -7.42 22.38 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.532 177.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 51.93 71.27 0.47 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.786 0.803 . . . . 0.0 110.919 -173.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.4 pt -137.16 -179.85 3.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.058 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -95.15 155.39 16.75 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.426 ' O ' HG13 ' A' ' 69' ' ' ILE . 60.1 pttt -60.24 -32.77 71.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.92 0.391 . . . . 0.0 110.287 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.0 m -66.73 -26.56 67.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.626 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -62.05 -25.62 67.79 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.956 0.408 . . . . 0.0 111.418 -177.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.8 mt -94.67 -20.47 19.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.268 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.426 HG13 ' O ' ' A' ' 65' ' ' LYS . 63.9 mt -97.28 -31.26 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -170.509 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.54 148.43 48.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.65 0.738 . . . . 0.0 112.758 -172.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -82.67 109.68 17.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.163 175.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -85.42 14.35 5.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.047 0.451 . . . . 0.0 111.108 -173.608 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -101.9 19.48 18.26 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.204 0.526 . . . . 0.0 110.62 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.7 mt -76.36 80.14 3.1 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.843 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -59.81 113.16 2.13 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.574 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.725 HD12 ' H ' ' A' ' 76' ' ' ILE . 4.2 mp -65.24 157.54 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.433 176.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.4 ' N ' HG21 ' A' ' 76' ' ' ILE . 0.6 OUTLIER -69.4 79.0 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.596 0.713 . . . . 0.0 111.408 -179.435 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.627 ' O ' ' HD3' ' A' ' 80' ' ' PRO . 3.6 m -108.23 158.4 17.49 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.668 -1.151 . . . . 0.0 109.194 174.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.9 t -106.38 88.54 3.34 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.596 0.236 . . . . 0.0 110.719 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.627 ' HD3' ' O ' ' A' ' 78' ' ' THR . 8.1 Cg_exo -71.6 134.84 24.97 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.894 2.396 . . . . 0.0 111.898 -179.276 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.2 tt -92.54 133.61 33.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.427 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.653 ' HG2' ' H ' ' A' ' 83' ' ' SER . 16.9 tt0 66.46 -177.25 0.19 Allowed 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.077 -178.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.653 ' H ' ' HG2' ' A' ' 82' ' ' GLU . 34.2 m 69.91 -175.12 0.19 Allowed 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.016 0.526 . . . . 0.0 111.281 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -108.8 157.32 15.25 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.304 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -112.82 129.16 56.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.748 0.309 . . . . 0.0 110.639 -177.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.1 p -93.55 119.59 32.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.155 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 61.8 tp -91.18 107.98 19.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.541 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.91 -178.42 6.01 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 177.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -141.95 135.88 29.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.737 0.304 . . . . 0.0 110.634 -176.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -93.33 122.05 35.34 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -84.19 146.06 28.03 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.805 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -63.2 141.49 58.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.905 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -51.35 -62.24 1.74 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.235 0.54 . . . . 0.0 110.473 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 . . . . . 0 C--O 1.247 0.931 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 172.558 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ptm . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.923 0.392 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 p -90.15 106.71 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.58 0.705 . . . . 0.0 110.613 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -88.23 -29.88 20.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.515 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.454 ' CB ' ' HE2' ' A' ' 7' ' ' LYS . 18.2 m-20 -121.92 99.0 6.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.35 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -68.04 -50.9 52.47 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.416 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -66.89 -31.9 72.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.936 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.542 ' HA ' HD11 ' A' ' 48' ' ' ILE . 35.7 ttpt -71.08 -40.48 71.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.694 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.9 92.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.804 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.5 mt -68.3 -49.63 64.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.209 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.539 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 80.7 t80 -56.45 -47.37 79.27 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.913 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.1 t -62.21 -49.43 75.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.677 -178.043 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -65.12 -38.61 91.23 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.865 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.413 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 62.3 m-20 -58.16 -52.98 63.29 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.66 177.527 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.416 ' O ' HG13 ' A' ' 18' ' ' ILE . 64.6 tp -64.31 -48.22 76.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.871 -179.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -63.49 -33.84 76.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.346 -174.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.9 m -64.72 -39.44 93.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.626 0.25 . . . . 0.0 111.032 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -68.71 -35.75 77.57 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 14' ' ' LEU . 65.3 mt -65.81 -45.35 91.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.1 0.476 . . . . 0.0 110.453 177.602 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.63 -31.89 71.36 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.283 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -76.32 -33.96 59.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.194 0.521 . . . . 0.0 110.31 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.0 t -72.29 164.91 25.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.399 176.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -82.31 -31.73 29.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.193 0.52 . . . . 0.0 110.313 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.489 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -70.29 148.33 48.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.355 -173.9 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.453 ' OG1' ' HG2' ' A' ' 27' ' ' GLU . 51.5 p -89.21 165.99 14.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.262 -176.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -53.19 -40.61 64.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.429 174.312 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -42.94 77.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.836 -1.074 . . . . 0.0 110.753 -176.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.453 ' HG2' ' OG1' ' A' ' 24' ' ' THR . 58.5 mm-40 -57.91 -43.86 86.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.192 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.52 ' O ' HG12 ' A' ' 32' ' ' ILE . 62.7 mt -66.05 -45.07 91.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.715 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.52 82.34 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.013 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -57.99 -45.6 86.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.432 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -75.67 -30.72 59.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.611 -176.173 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.52 HG12 ' O ' ' A' ' 28' ' ' ILE . 48.3 mm -72.28 -44.56 63.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 121.017 0.436 . . . . 0.0 110.145 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.41 19.47 7.93 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.136 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.4 m -115.72 159.23 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.855 0.36 . . . . 0.0 110.394 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.6 m -75.83 143.18 74.28 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.146 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -58.22 -29.58 88.06 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.912 2.408 . . . . 0.0 112.862 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -65.09 -35.01 79.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.9 0.381 . . . . 0.0 110.959 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.1 m -75.9 -37.57 58.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.456 0.646 . . . . 0.0 109.411 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -64.74 -35.58 81.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.768 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.19 -44.74 94.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.367 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.415 HG23 HD13 ' A' ' 46' ' ' ILE . 11.5 p -64.68 -22.14 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -178.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.549 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 45.1 m0 -76.61 -43.77 37.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.247 0.546 . . . . 0.0 109.608 175.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 43.8 t -67.38 -32.17 72.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.402 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -83.86 -0.12 49.9 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.3 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.48 30.77 77.1 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.83 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.415 HD13 HG23 ' A' ' 41' ' ' THR . 71.1 mt -89.01 -42.84 14.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.784 0.326 . . . . 0.0 110.53 -178.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.5 153.91 44.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.236 -177.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.542 HD11 ' HA ' ' A' ' 7' ' ' LYS . 89.7 mt -108.6 129.09 24.42 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.567 175.805 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.549 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 41.5 Cg_endo -64.93 159.28 46.91 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.71 2.274 . . . . 0.0 112.099 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -63.22 156.22 26.02 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.2 ttm -50.2 -40.12 46.17 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.43 0.456 . . . . 0.0 112.184 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.33 -29.95 70.09 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.078 -0.582 . . . . 0.0 113.0 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.699 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -85.32 -34.87 21.76 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.543 -0.387 . . . . 0.0 110.648 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.69 -41.49 88.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.36 0.6 . . . . 0.0 109.76 175.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -61.4 -39.0 89.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.545 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.57 -40.94 93.35 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.754 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.04 -51.2 67.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.443 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.62 -34.41 76.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.668 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.94 -42.0 90.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.291 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -64.33 -36.74 85.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.894 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.429 ' HB2' HG12 ' A' ' 63' ' ' ILE . 73.5 m-85 -84.79 -12.36 53.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.505 177.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.3 t30 62.32 34.27 15.91 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.728 0.775 . . . . 0.0 110.059 -177.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.429 HG12 ' HB2' ' A' ' 61' ' ' PHE . 41.5 pt -111.97 -173.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.054 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -92.62 146.47 23.64 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -68.38 -29.53 68.25 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.627 ' O ' ' HG3' ' A' ' 70' ' ' GLU . 51.0 m -59.63 -32.12 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.537 177.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.16 -24.46 66.31 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.985 0.421 . . . . 0.0 111.307 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.539 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 70.8 mt -90.88 -21.16 21.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.323 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.1 mt -91.03 -49.33 13.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.953 -173.573 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.627 ' HG3' ' O ' ' A' ' 66' ' ' SER . 1.4 pp20? -75.53 151.79 37.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.403 0.62 . . . . 0.0 112.075 -173.024 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.99 132.68 46.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.373 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.712 ' HZ1' ' HB2' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -99.51 6.71 45.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -172.53 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -88.88 31.08 0.87 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.644 0.735 . . . . 0.0 110.315 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.1 mt -78.23 72.8 4.78 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.961 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -154.52 144.76 22.0 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 176.27 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.9 mm -65.14 130.55 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.454 0.645 . . . . 0.0 112.214 -171.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -166.35 112.76 0.85 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.7 -1.136 . . . . 0.0 108.672 176.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.9 t -76.26 140.37 41.54 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.0 t -126.66 87.57 56.19 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.186 -175.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.07 109.01 0.85 Allowed 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.448 2.099 . . . . 0.0 110.831 173.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.547 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.0 mp -77.85 131.83 33.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.765 -175.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -86.72 87.51 7.47 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 174.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.1 t -77.13 122.67 25.32 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.699 -175.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.07 -77.97 1.14 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.808 176.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -153.08 155.18 36.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.815 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.8 p -112.45 115.87 29.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.682 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 88.9 mt -88.54 134.23 33.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.146 0.498 . . . . 0.0 111.471 -176.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -70.35 138.33 51.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.961 175.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -97.19 84.81 3.56 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -169.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.5 t60 54.97 88.49 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 O-C-N 123.529 0.518 . . . . 0.0 112.052 168.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -91.57 -36.02 13.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -172.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.5 m170 61.33 -87.51 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -169.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -144.01 22.44 1.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.046 0.45 . . . . 0.0 111.181 172.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.406 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 6.5 p80 . . . . . 0 C--O 1.248 0.995 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.315 168.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.434 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 121.297 0.57 . . . . 0.0 110.927 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.4 m -112.59 129.9 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.475 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -103.56 -17.57 15.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.163 -175.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -149.65 147.13 27.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.707 -175.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.475 ' O ' HG13 ' A' ' 9' ' ' ILE . 43.3 mtpt -60.21 -43.4 96.01 Favored 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -177.473 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -62.87 -35.58 80.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.857 0.361 . . . . 0.0 110.622 -176.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 51.6 mtpt -71.43 -34.94 70.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.011 0.434 . . . . 0.0 110.471 178.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.09 -43.04 55.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.327 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 5' ' ' LYS . 76.2 mt -61.71 -42.17 93.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.323 178.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -59.95 -48.61 80.99 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.852 0.358 . . . . 0.0 111.096 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -67.92 -38.52 83.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.06 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.14 -42.33 89.24 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.481 ' OD1' ' HE3' ' A' ' 72' ' ' LYS . 75.1 m-20 -58.98 -50.15 75.17 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.527 175.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 tp -55.53 -46.72 77.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.148 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -58.75 -36.79 74.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.57 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.8 m -55.33 -52.35 63.77 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.095 0.474 . . . . 0.0 110.997 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -76.34 -31.98 58.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.008 -172.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.422 HG21 ' HG2' ' A' ' 25' ' ' GLN . 80.9 mt -73.31 -45.07 53.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.836 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.63 -22.14 61.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -80.03 -39.91 28.87 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.9 m -73.72 173.58 9.61 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.982 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -103.33 -21.73 13.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.755 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.647 ' HE2' ' HG3' ' A' ' 27' ' ' GLU . 8.1 tptm -78.14 145.23 35.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.518 -174.243 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.441 ' O ' HG13 ' A' ' 28' ' ' ILE . 29.1 p -74.21 157.72 35.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.639 -176.221 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.471 HE21 ' HE1' ' A' ' 39' ' ' PHE . 53.3 mt-30 -63.46 -36.98 85.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.876 177.421 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.41 -46.98 85.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.362 175.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.647 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 6.5 mm-40 -59.76 -45.18 93.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.154 178.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.62 ' O ' HG12 ' A' ' 32' ' ' ILE . 72.3 mt -60.13 -52.2 64.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.526 178.439 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.86 78.89 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.549 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -62.56 -44.73 95.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.974 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.7 m -75.63 -21.32 57.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.271 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.62 HG12 ' O ' ' A' ' 28' ' ' ILE . 39.8 mm -72.87 -44.01 58.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.217 0.532 . . . . 0.0 109.671 172.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 113.83 31.42 2.31 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.031 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.3 m -136.59 176.01 8.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.887 0.375 . . . . 0.0 110.518 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.2 m -89.83 150.44 43.87 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.892 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.99 -24.39 65.07 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.761 2.307 . . . . 0.0 111.95 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.64 -48.52 77.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.78 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.1 m -70.03 -31.62 69.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.633 0.73 . . . . 0.0 110.033 -177.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.471 ' HE1' HE21 ' A' ' 25' ' ' GLN . 32.1 t80 -69.83 -35.81 75.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.105 179.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -69.33 -38.47 78.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.853 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.501 HG23 HD12 ' A' ' 46' ' ' ILE . 3.3 p -65.54 -24.43 67.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.959 0.409 . . . . 0.0 110.977 177.427 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.463 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 53.8 m0 -77.38 -41.86 38.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.312 0.577 . . . . 0.0 109.831 173.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.9 t -65.24 -29.18 69.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.065 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.3 mmtm -89.12 3.61 51.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.878 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.5 29.46 73.54 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.842 178.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.501 HD12 HG23 ' A' ' 41' ' ' THR . 71.9 mt -76.26 -41.81 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 121.235 0.54 . . . . 0.0 109.649 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.02 137.62 26.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.295 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 99.2 mt -92.81 120.74 67.01 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.463 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 30.0 Cg_endo -60.08 150.28 79.89 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.888 2.392 . . . . 0.0 111.898 -177.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -66.49 161.88 21.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.187 -177.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.426 ' HE3' ' HB2' ' A' ' 51' ' ' MET . 4.9 ppp? -57.22 -29.47 63.77 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -171.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.98 -28.21 73.47 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.356 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -87.02 -32.81 19.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.841 0.353 . . . . 0.0 110.187 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.42 -36.22 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.112 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -57.59 -43.12 84.37 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.179 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.68 -45.02 92.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.732 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.63 -49.46 75.08 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.896 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.58 -38.2 89.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.202 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -68.95 -39.79 79.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.623 -178.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -58.46 -43.47 88.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.715 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -87.83 -12.16 45.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.3 t30 63.48 49.95 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.989 0.9 . . . . 0.0 109.541 -174.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.7 pt -126.46 -176.46 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.669 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -100.85 156.63 17.26 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -62.49 -29.77 70.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.912 0.387 . . . . 0.0 110.436 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.4 p -68.95 -29.85 68.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.845 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -64.51 -24.05 67.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.13 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.72 -30.8 14.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.222 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.8 mm -89.93 -49.24 13.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -171.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -73.6 159.74 32.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.431 0.634 . . . . 0.0 112.61 -170.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -71.04 144.46 50.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.791 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.481 ' HE3' ' OD1' ' A' ' 13' ' ' ASN . 31.8 ttmt -98.59 12.93 33.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.572 0.701 . . . . 0.0 110.537 -173.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.567 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 15.0 tmtt? -84.45 4.78 30.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.72 0.772 . . . . 0.0 110.05 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.5 mt -78.5 12.95 1.75 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.157 -0.928 . . . . 0.0 111.682 -177.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 70.68 91.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.55 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.0 mp -114.75 137.79 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.028 176.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -83.2 88.6 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.622 0.725 . . . . 0.0 110.391 -175.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.7 t -123.13 170.15 10.5 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.059 176.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.3 t -114.9 86.71 13.77 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.755 0.312 . . . . 0.0 110.931 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -96.96 178.96 0.46 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.156 2.571 . . . . 0.0 113.065 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.4 tt -132.1 136.5 56.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.961 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -107.88 120.21 41.65 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.861 -177.364 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.9 m -77.21 152.34 34.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.333 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -111.79 -53.54 0.52 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.265 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -159.76 173.4 16.07 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.7 m -124.4 134.04 53.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.514 ' O ' HD12 ' A' ' 87' ' ' LEU . 2.4 pp -113.26 118.44 34.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.604 0.716 . . . . 0.0 111.836 -174.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -142.7 -174.04 4.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.508 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 43.89 78.69 0.05 Allowed 'General case' 0 N--CA 1.466 0.332 0 O-C-N 124.14 0.9 . . . . 0.0 111.739 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 4.8 p80 -88.94 99.22 12.24 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.124 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -87.98 132.95 34.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.193 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -115.14 98.66 6.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.864 0.364 . . . . 0.0 110.15 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -143.16 83.15 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.0 t60 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.427 -0.797 . . . . 0.0 109.073 -178.486 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.6 p -101.22 135.73 36.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.118 0.485 . . . . 0.0 111.23 -176.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -138.21 -76.75 0.38 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.153 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -83.5 118.58 23.87 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.207 -177.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.414 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 70.7 mmtt -69.37 -29.74 67.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.279 -177.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -71.37 -36.77 71.57 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.515 ' HA ' HD13 ' A' ' 48' ' ' ILE . 63.8 mttp -58.89 -39.02 80.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.119 173.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.87 -42.32 90.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.726 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.3 mt -60.57 -50.02 82.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.562 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -60.4 -53.98 51.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.944 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.452 ' HB3' ' HA2' ' A' ' 45' ' ' GLY . 30.8 p -63.61 -44.48 93.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.722 -175.331 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.79 -47.22 87.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.649 0.261 . . . . 0.0 110.824 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.43 -47.24 82.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.573 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.477 ' O ' HG13 ' A' ' 18' ' ' ILE . 54.5 tp -63.19 -47.41 82.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.795 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -56.62 -40.89 76.17 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.642 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -59.37 -47.63 84.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.425 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -63.93 -46.53 84.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.65 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 14' ' ' LEU . 84.2 mt -54.36 -51.69 46.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 120.905 0.383 . . . . 0.0 111.26 -178.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.93 -40.95 87.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.27 -177.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 1.016 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 1.9 mmpt? -76.74 -19.32 57.78 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -176.226 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -83.42 -13.62 54.42 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.647 0.26 . . . . 0.0 110.493 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 57.58 47.29 16.25 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.842 0.83 . . . . 0.0 109.854 -178.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -126.01 138.91 53.77 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.27 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.431 ' OG1' ' HB2' ' A' ' 27' ' ' GLU . 34.5 p -71.55 150.71 44.5 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.03 -177.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -54.4 -38.12 65.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.414 177.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -63.72 -47.18 82.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.768 -179.706 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.431 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 0.6 OUTLIER -58.75 -46.23 87.92 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.031 0.443 . . . . 0.0 111.079 -178.174 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.3 mt -66.21 -39.33 84.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.246 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.65 -38.89 82.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.103 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 26' ' ' LEU . 29.0 mtpp -60.58 -40.9 93.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.102 0.477 . . . . 0.0 110.832 177.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.0 m -70.31 -23.29 62.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.995 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 69.1 mt -87.71 -44.58 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.403 0.62 . . . . 0.0 110.253 177.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.66 20.48 8.08 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.534 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.1 m -111.77 173.82 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.954 0.407 . . . . 0.0 110.79 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.7 m -93.74 144.43 28.17 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.475 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.1 -32.47 59.19 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.128 2.552 . . . . 0.0 113.073 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -61.17 -40.11 92.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.15 0.5 . . . . 0.0 110.607 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.5 m -73.55 -39.02 65.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.738 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -64.84 -34.88 79.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.103 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -63.51 -41.35 98.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.846 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.3 p -67.68 -22.31 65.3 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 111.671 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.596 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 50.6 m0 -75.72 -41.26 53.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.175 0.512 . . . . 0.0 109.976 174.269 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 35.2 t -66.25 -29.25 69.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.759 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -83.2 -6.41 59.47 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.452 ' HA2' ' HB3' ' A' ' 11' ' ' SER . . . 70.07 23.93 76.84 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.883 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.9 mt -81.26 -44.21 20.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.182 0.515 . . . . 0.0 110.292 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.97 153.2 51.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.05 -177.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.515 HD13 ' HA ' ' A' ' 7' ' ' LYS . 93.9 mt -111.79 126.92 27.64 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.745 176.753 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.596 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 56.4 Cg_endo -68.98 152.28 73.32 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.612 2.208 . . . . 0.0 111.456 176.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.9 ttm180 -75.32 167.01 22.73 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.8 ptp -54.34 -26.51 30.15 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -172.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.17 -41.6 99.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.108 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.25 -21.21 24.61 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.797 -0.237 . . . . 0.0 111.056 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.432 HG21 HD11 ' A' ' 69' ' ' ILE . 98.3 t -64.75 -42.82 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.033 0.444 . . . . 0.0 110.337 175.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -61.32 -36.52 80.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.707 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.43 -35.52 81.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.43 . . . . 0.0 110.818 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.449 HD22 HD11 ' A' ' 14' ' ' LEU . 66.9 mt -67.76 -51.86 44.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.355 174.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.26 92.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.47 -177.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.7 -34.59 77.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.996 0.427 . . . . 0.0 110.677 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -70.6 -41.9 71.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.02 0.438 . . . . 0.0 110.763 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.484 ' HB2' HG12 ' A' ' 63' ' ' ILE . 60.3 m-85 -86.98 -5.53 59.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 -175.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 66.95 14.8 9.98 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.67 0.748 . . . . 0.0 110.443 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.484 HG12 ' HB2' ' A' ' 61' ' ' PHE . 40.3 pt -91.93 -173.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.016 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -101.6 153.41 19.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.991 0.424 . . . . 0.0 110.518 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -62.43 -30.71 71.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.996 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -32.61 74.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.054 -176.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.85 -35.0 61.03 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.0 mt -93.78 -30.02 15.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.701 -177.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.432 HD11 HG21 ' A' ' 54' ' ' VAL . 47.6 mm -93.6 -19.42 6.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -171.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -63.88 170.45 3.45 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.821 0.82 . . . . 0.0 112.696 -173.202 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -134.02 163.56 29.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.36 -1.291 . . . . 0.0 108.409 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -85.83 -2.15 57.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.132 0.491 . . . . 0.0 110.344 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -84.52 10.36 11.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.941 175.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 74.3 mt -88.88 84.19 6.65 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.954 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 70.49 118.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.065 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.514 HD13 ' H ' ' A' ' 76' ' ' ILE . 4.0 mp -71.32 137.11 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.712 -174.775 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -78.65 77.32 5.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.282 0.563 . . . . 0.0 109.93 177.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.595 ' O ' ' HD3' ' A' ' 80' ' ' PRO . 15.3 t -126.33 -172.52 2.64 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.082 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.5 p -107.36 88.11 3.78 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-O 121.481 0.658 . . . . 0.0 110.593 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.595 ' HD3' ' O ' ' A' ' 78' ' ' THR . 17.1 Cg_exo -66.64 107.14 1.2 Allowed 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 123.049 2.499 . . . . 0.0 112.789 -175.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.8 tt -88.28 123.29 40.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.156 174.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -144.26 122.53 12.27 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.49 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.9 p -80.63 113.2 18.65 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 171.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.42 -6.3 86.44 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.942 -0.647 . . . . 0.0 113.576 -173.557 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 59.48 -162.24 0.25 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.903 0.382 . . . . 0.0 110.03 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 m -85.27 12.25 8.46 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.346 0.593 . . . . 0.0 109.591 173.491 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 97.3 mt 64.17 -161.03 0.29 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.991 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -77.0 -35.13 57.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.625 0.25 . . . . 0.0 110.34 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 59.4 26.54 15.46 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.751 0.786 . . . . 0.0 109.6 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -96.24 109.24 21.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.695 -174.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -133.34 147.16 51.83 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.759 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -105.45 137.41 43.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.996 0.427 . . . . 0.0 111.265 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -78.73 -17.96 55.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.293 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.9 m80 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.381 -0.819 . . . . 0.0 109.833 175.042 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.454 0.169 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.9 p -110.7 -26.28 3.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.946 0.403 . . . . 0.0 111.002 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.16 126.83 52.89 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.468 ' CB ' ' HD3' ' A' ' 7' ' ' LYS . 23.8 m-20 -60.23 114.15 2.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.403 -175.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.511 ' O ' HG13 ' A' ' 9' ' ' ILE . 21.7 mttm -69.92 -37.53 75.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.59 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.06 -43.4 98.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.003 0.43 . . . . 0.0 110.169 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.523 ' HA ' HD13 ' A' ' 48' ' ' ILE . 42.5 mtpt -63.21 -36.92 85.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.742 175.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.94 -38.38 86.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.054 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.511 HG13 ' O ' ' A' ' 5' ' ' LYS . 83.8 mt -62.64 -51.43 72.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.732 178.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 87.6 t80 -55.1 -49.7 71.05 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.03 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.481 ' OG ' ' HA2' ' A' ' 45' ' ' GLY . 55.3 m -63.45 -43.65 96.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.492 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -59.49 -47.08 86.88 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.807 0.336 . . . . 0.0 110.684 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -60.73 -55.09 37.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.595 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.458 ' O ' HG13 ' A' ' 18' ' ' ILE . 59.4 tp -58.73 -47.51 84.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.203 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.54 ' HA ' HD13 ' A' ' 18' ' ' ILE . 60.5 t30 -61.92 -33.11 73.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.176 -175.402 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.5 m -65.6 -42.22 91.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.771 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -67.91 -34.57 76.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.321 . . . . 0.0 110.405 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.54 HD13 ' HA ' ' A' ' 15' ' ' ASN . 92.3 mt -63.0 -48.61 87.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.886 178.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.63 88.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.008 0.433 . . . . 0.0 111.337 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.28 -5.52 52.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.149 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.4 ' C ' ' H ' ' A' ' 23' ' ' LYS . 28.8 t -76.91 -15.76 59.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.594 175.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 73.51 -37.71 0.39 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.714 0.805 . . . . 0.0 111.54 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.557 ' HE3' ' N ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -66.58 157.74 31.6 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 174.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.4 p -86.06 159.2 19.63 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.364 0.602 . . . . 0.0 112.338 -171.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.521 ' HG2' HG21 ' A' ' 18' ' ' ILE . 51.8 mt-30 -57.2 -37.65 72.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.6 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.56 -40.07 94.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.701 179.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.58 -40.36 94.49 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.179 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.522 HD13 HG22 ' A' ' 18' ' ' ILE . 62.4 mt -72.73 -42.07 61.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.966 177.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.52 -46.58 86.46 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.806 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -26.24 67.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.771 0.32 . . . . 0.0 111.118 -178.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.5 m -77.46 -36.23 53.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.385 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.492 HG12 ' O ' ' A' ' 28' ' ' ILE . 47.5 mm -68.3 -44.1 84.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.88 175.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.93 29.13 3.91 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.28 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.6 m -127.29 161.87 33.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.8 p -72.12 145.46 88.63 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.639 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 10.8 Cg_endo -54.88 -35.59 89.36 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.007 2.472 . . . . 0.0 113.47 -176.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -75.55 -24.69 56.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.9 m -74.85 -32.89 62.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.738 0.78 . . . . 0.0 109.191 175.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -71.32 -34.61 70.73 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.034 172.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -68.38 -38.51 81.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.302 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.496 HG21 HD12 ' A' ' 46' ' ' ILE . 1.1 p -64.71 -25.04 67.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.7 0.285 . . . . 0.0 111.243 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.506 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 51.6 m0 -74.6 -38.66 62.55 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 173.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.8 t -66.06 -27.98 68.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.647 177.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -84.3 -5.13 59.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.402 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.481 ' HA2' ' OG ' ' A' ' 11' ' ' SER . . . 66.16 32.11 81.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.729 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.496 HD12 HG21 ' A' ' 41' ' ' THR . 64.4 mt -85.87 -31.99 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.971 0.415 . . . . 0.0 110.827 -178.592 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.51 148.61 25.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.502 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.523 HD13 ' HA ' ' A' ' 7' ' ' LYS . 80.3 mt -101.2 130.57 24.65 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.344 172.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.526 ' HB2' ' HB3' ' A' ' 53' ' ' LYS . 46.5 Cg_endo -67.0 162.0 40.05 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.617 2.211 . . . . 0.0 111.668 177.334 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ttt85 -82.83 167.13 18.38 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.5 ptp -50.52 -36.92 36.36 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.051 0.759 . . . . 0.0 113.051 -170.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.33 -35.37 91.4 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.45 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.526 ' HB3' ' HB2' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -85.49 -32.86 22.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.815 0.34 . . . . 0.0 110.161 -178.818 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.426 HG22 ' HG2' ' A' ' 49' ' ' PRO . 84.9 t -62.78 -39.5 85.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.359 177.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -59.69 -37.77 79.71 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.571 178.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.74 -42.17 91.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.829 0.347 . . . . 0.0 110.687 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.23 -50.34 70.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.708 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.08 -25.87 66.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.391 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -76.2 -41.59 48.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.739 0.304 . . . . 0.0 110.508 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -56.88 -44.77 82.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.775 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -87.6 -6.0 58.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.274 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 56.6 t30 51.3 65.8 1.38 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.947 -176.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.5 pt -135.34 177.15 7.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.116 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -94.67 156.06 16.58 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -58.29 -30.15 66.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.833 0.349 . . . . 0.0 111.162 -179.771 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.417 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 18.5 m -66.33 -18.29 65.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.869 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.15 -34.01 65.82 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.116 0.484 . . . . 0.0 110.576 176.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.406 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 90.4 mt -94.14 -43.44 8.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.449 -177.638 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 36.1 mm -78.15 -50.56 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.399 -174.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -91.2 159.81 15.87 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.036 -174.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -80.6 133.81 35.82 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.41 ' HA ' ' HD3' ' A' ' 72' ' ' LYS . 6.8 mmtp -83.53 33.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -171.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -84.82 5.17 29.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.268 1.033 . . . . 0.0 108.777 168.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.5 mt -76.16 87.24 3.02 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.347 -1.297 . . . . 0.0 111.632 -174.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -74.43 100.22 3.76 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 165.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 40.4 mm -56.74 117.99 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.764 -168.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -99.4 82.96 2.74 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.521 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.5 t -64.74 149.39 49.29 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.551 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.9 t -108.67 90.47 7.44 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.825 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -66.7 -164.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.78 2.32 . . . . 0.0 111.849 178.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 45.3 mt -53.18 120.9 1.94 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-O 121.3 0.571 . . . . 0.0 110.427 177.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -76.83 -175.32 3.41 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.588 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.6 m -65.33 151.47 46.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.84 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.474 ' O ' HD23 ' A' ' 87' ' ' LEU . . . -53.69 -68.67 1.52 Allowed Glycine 0 CA--C 1.519 0.31 0 O-C-N 123.49 0.494 . . . . 0.0 113.139 -177.406 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.1 t80 61.08 -164.41 0.24 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.794 0.33 . . . . 0.0 110.425 178.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.6 m -99.05 103.38 15.31 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.474 HD23 ' O ' ' A' ' 84' ' ' GLY . 2.0 pt? -134.66 177.77 7.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.889 0.376 . . . . 0.0 110.96 -174.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -138.72 149.21 44.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.696 -176.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -129.67 175.22 8.99 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.541 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 23.6 m170 70.43 -68.85 0.19 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.981 0.801 . . . . 0.0 111.83 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 53.95 59.33 4.33 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -174.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 65.87 78.77 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.275 -175.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -151.19 104.69 3.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.055 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.5 m170 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.489 -0.767 . . . . 0.0 110.373 179.234 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.646 ' HE1' ' HA ' ' A' ' 1' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 92.0 t 75.71 117.37 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 O-C-N 123.653 0.596 . . . . 0.0 110.62 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -93.86 74.04 4.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.546 -176.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -124.37 6.36 8.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.264 -174.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.16 -50.06 74.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -65.25 -32.52 74.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.5 -47.47 81.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.253 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.04 79.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.84 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.8 mt -57.23 -51.01 74.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.844 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -58.81 -54.99 40.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.416 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.1 p -64.83 -41.67 95.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.499 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.63 -47.08 82.81 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.965 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.67 HD22 ' HA ' ' A' ' 71' ' ' ASP . 93.7 m-20 -70.2 -41.97 72.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.849 -178.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.1 tp -59.18 -44.63 92.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.016 0.436 . . . . 0.0 110.115 176.407 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -60.08 -32.9 71.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.498 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 m -65.54 -36.28 83.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.953 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.526 ' HH ' ' HB3' ' A' ' 67' ' ' ASP . 62.7 m-85 -77.03 -33.68 57.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.557 179.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 86.5 mt -65.08 -46.99 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.388 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.61 -5.14 41.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.201 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 tttp -86.29 -22.92 26.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.333 0.587 . . . . 0.0 109.657 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.1 t -104.28 177.4 4.86 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.975 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.1 -1.19 40.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.038 0.447 . . . . 0.0 110.209 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -77.92 130.19 36.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.977 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.0 p -79.34 168.37 19.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.472 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -57.13 -33.32 67.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.524 175.083 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.455 HD23 ' HB3' ' A' ' 36' ' ' PRO . 12.1 mt -71.48 -44.26 65.05 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.388 177.234 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 5.4 mm-40 -65.45 -39.99 92.68 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.902 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.02 -40.13 75.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.12 177.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.94 -45.55 86.45 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.242 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.513 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -68.69 -26.7 65.42 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.859 0.361 . . . . 0.0 110.849 -178.749 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.1 m -74.67 -43.76 53.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.299 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.8 mm -70.8 -44.73 75.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.176 0.512 . . . . 0.0 110.184 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.19 31.15 3.38 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.56 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.2 m -122.34 163.37 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 -179.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 m -71.11 146.91 93.2 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.901 177.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.455 ' HB3' HD23 ' A' ' 26' ' ' LEU . 14.7 Cg_endo -57.03 -33.14 95.1 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.699 2.266 . . . . 0.0 112.116 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -66.37 -35.79 81.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.154 0.502 . . . . 0.0 110.546 177.276 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.4 m -67.99 -39.28 83.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.592 0.71 . . . . 0.0 109.298 -177.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -71.22 -34.73 71.09 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.838 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -66.01 -40.13 90.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.084 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 p -65.32 -22.91 66.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.72 0.295 . . . . 0.0 111.447 178.149 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.497 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 52.4 m0 -77.64 -40.75 40.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.235 0.54 . . . . 0.0 109.885 173.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 46.0 t -63.72 -33.28 75.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.878 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -84.43 -4.92 59.19 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.501 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.97 35.82 92.6 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.629 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 49.5 mm -81.72 -41.59 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.331 0.586 . . . . 0.0 110.074 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.57 154.29 42.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.373 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 98.6 mt -108.36 131.31 21.85 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.577 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.497 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 48.6 Cg_endo -66.64 158.05 57.81 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.932 2.422 . . . . 0.0 111.73 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.5 mtp85 -93.58 -175.68 3.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.729 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 88.9 mtp -56.92 -30.6 64.13 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -171.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.35 -38.65 96.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.762 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 10.5 mptt -97.12 -28.58 14.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -177.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.4 t -59.71 -36.94 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.129 0.49 . . . . 0.0 109.966 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -59.31 -42.32 91.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.849 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.21 -40.85 77.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.734 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.49 -50.86 67.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.188 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.6 -35.44 79.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.012 0.434 . . . . 0.0 110.889 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.44 -44.34 68.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.141 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -65.25 -36.74 85.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.32 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -90.84 -4.51 56.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 55.48 48.91 17.86 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.357 0.599 . . . . 0.0 110.27 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.4 pt -127.15 -177.71 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.431 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -98.62 161.66 13.55 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.477 ' O ' HG13 ' A' ' 69' ' ' ILE . 63.6 pttt -63.68 -32.2 73.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.304 0.573 . . . . 0.0 109.925 177.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.8 t -66.37 -27.9 68.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.287 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.526 ' HB3' ' HH ' ' A' ' 17' ' ' TYR . 67.1 m-20 -66.87 -25.64 66.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.899 0.381 . . . . 0.0 111.172 -176.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.4 mt -94.56 -23.36 17.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.477 HG13 ' O ' ' A' ' 65' ' ' LYS . 72.7 mt -84.97 -51.76 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.608 -175.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -95.76 153.95 17.47 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 121.086 0.469 . . . . 0.0 111.087 -176.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.67 ' HA ' HD22 ' A' ' 13' ' ' ASN . 24.2 t70 -83.26 171.01 14.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.948 -176.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.8 pttt -78.22 33.58 0.19 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.163 0.506 . . . . 0.0 111.226 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.422 ' H ' ' C ' ' A' ' 71' ' ' ASP . 45.3 mmtm -84.57 16.0 3.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.193 0.521 . . . . 0.0 110.713 -179.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -80.35 73.29 7.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.827 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -125.69 -170.72 2.23 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.671 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.1 mt -77.97 133.71 29.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.998 0.428 . . . . 0.0 110.542 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -165.39 125.4 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.517 HG23 ' H ' ' A' ' 94' ' ' HIS . 37.8 p -47.98 138.5 8.96 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 123.962 0.789 . . . . 0.0 112.315 -176.831 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.8 t -107.75 90.95 6.81 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.273 -173.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.82 -164.64 0.22 Allowed 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.762 2.308 . . . . 0.0 111.872 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.43 ' N ' HD13 ' A' ' 81' ' ' ILE . 4.1 mp -85.47 129.57 37.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.158 0.504 . . . . 0.0 110.09 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -154.84 168.15 27.87 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 -179.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.1 t -51.78 126.85 19.11 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.135 176.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.57 -102.01 0.18 Allowed Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.194 -173.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 22.4 t80 58.31 80.11 0.19 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 -171.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 89.2 m 65.47 82.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.162 -167.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.9 pp -83.13 147.52 28.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.442 -174.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -85.08 160.29 20.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.132 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -66.22 113.37 4.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.029 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -80.6 105.36 11.79 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 175.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -102.45 -71.55 0.72 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.767 0.317 . . . . 0.0 110.867 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -138.96 158.72 43.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.776 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -131.55 149.46 52.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 175.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.517 ' H ' HG23 ' A' ' 78' ' ' THR . 6.0 t60 . . . . . 0 C--O 1.244 0.791 0 CA-C-O 118.728 -0.653 . . . . 0.0 109.349 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.7 t -85.52 95.54 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.881 0.372 . . . . 0.0 110.373 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.639 ' HA ' ' HE3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -90.95 -39.42 12.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.707 177.055 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.442 ' HB3' ' HZ1' ' A' ' 7' ' ' LYS . 12.7 t70 71.42 111.48 0.06 Allowed 'General case' 0 N--CA 1.466 0.37 0 O-C-N 124.066 0.854 . . . . 0.0 110.526 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -69.13 -35.05 75.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.584 -173.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -64.28 -34.66 78.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.362 -176.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.789 ' HZ2' ' HB2' ' A' ' 7' ' ' LYS . 4.7 ttmp? -63.43 -36.79 84.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.838 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.38 -33.07 62.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.6 mt -72.19 -43.26 66.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.857 176.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.404 ' CD1' ' HB3' ' A' ' 68' ' ' LEU . 67.5 t80 -53.17 -57.33 10.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.834 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.3 p -63.14 -46.94 84.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.663 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -59.32 -48.55 81.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.235 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -72.4 -40.16 67.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.804 -177.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.425 ' O ' HG13 ' A' ' 18' ' ' ILE . 61.1 tp -60.48 -48.88 79.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.994 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.445 ' HA ' HD13 ' A' ' 18' ' ' ILE . 10.1 t-20 -60.18 -35.62 75.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.415 -178.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.1 m -62.11 -43.82 98.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.776 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -66.92 -37.67 84.76 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.561 0.219 . . . . 0.0 110.858 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.445 HD13 ' HA ' ' A' ' 15' ' ' ASN . 77.4 mt -60.39 -45.06 97.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.957 0.408 . . . . 0.0 110.286 176.654 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.06 94.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.887 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.595 ' HZ1' ' HB3' ' A' ' 20' ' ' LYS . 9.9 mtpm? -59.45 -38.16 80.02 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 177.442 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.1 t -72.25 -21.92 61.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.289 -176.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 58.22 42.1 22.5 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 122.094 0.95 . . . . 0.0 109.109 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.419 ' HD2' HG12 ' A' ' 28' ' ' ILE . 25.3 ttmm -121.34 160.54 23.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.532 -176.11 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.9 p -88.13 145.02 26.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.703 0.287 . . . . 0.0 110.908 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.45 -37.5 83.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.073 0.463 . . . . 0.0 110.332 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -43.53 94.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.52 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -64.29 -42.46 96.39 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.692 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.495 ' O ' HG12 ' A' ' 32' ' ' ILE . 57.6 mt -63.53 -45.29 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.39 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.18 -39.0 77.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.703 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -65.92 -34.48 78.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.366 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.1 m -75.66 -32.31 60.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.78 0.324 . . . . 0.0 110.825 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 28' ' ' ILE . 47.7 mm -77.54 -44.26 29.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.125 0.488 . . . . 0.0 110.615 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.37 31.73 3.18 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.043 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.12 167.27 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.686 0.279 . . . . 0.0 110.368 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.1 m -72.92 148.57 89.49 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.158 177.624 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.54 -28.48 85.84 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.442 2.095 . . . . 0.0 111.583 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -68.68 -35.49 77.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.843 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.1 m -70.03 -36.29 74.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.748 0.785 . . . . 0.0 109.308 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -71.03 -34.55 71.4 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.586 175.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.56 -40.88 98.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.044 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 p -65.36 -22.87 66.86 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.801 0.334 . . . . 0.0 111.725 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -83.5 -37.96 22.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.107 0.48 . . . . 0.0 109.779 175.263 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.9 -37.33 87.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.803 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -81.04 -4.66 55.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.242 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.27 44.36 96.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.132 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.8 mt -89.3 -41.01 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.037 0.446 . . . . 0.0 110.252 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -146.3 148.45 32.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.557 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.8 mt -95.56 124.72 52.08 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.237 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -67.74 155.56 69.49 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.939 2.426 . . . . 0.0 112.005 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -67.4 150.87 48.36 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.605 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 45.7 ttm -51.73 -33.85 36.46 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -173.38 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.14 -37.37 91.62 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.354 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.27 -28.7 38.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.928 0.394 . . . . 0.0 110.495 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.5 t -63.8 -34.46 68.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.057 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.605 ' HG2' ' O ' ' A' ' 51' ' ' MET . 28.2 mm-40 -54.73 -48.42 72.56 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.509 176.706 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.4 98.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.002 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.49 -50.85 69.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.778 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.37 -38.95 91.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.071 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.26 -43.96 85.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -62.02 -37.95 86.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.968 -177.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -91.46 -3.59 56.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.054 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 57.96 36.16 25.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.371 -177.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.0 pt -113.26 -177.07 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.292 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -92.39 152.24 19.84 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.441 ' O ' HG13 ' A' ' 69' ' ' ILE . 23.9 pttm -64.95 -30.04 71.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.074 0.464 . . . . 0.0 110.089 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.3 m -66.42 -19.06 65.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.663 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -63.04 -29.85 71.14 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.351 0.596 . . . . 0.0 110.471 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.404 ' HB3' ' CD1' ' A' ' 10' ' ' PHE . 78.4 mt -93.37 -19.89 20.88 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.808 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.441 HG13 ' O ' ' A' ' 65' ' ' LYS . 19.9 mt -104.92 8.1 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.159 -173.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -48.62 150.45 1.4 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.777 0.799 . . . . 0.0 112.426 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -142.21 136.97 30.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.115 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.442 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 27.6 mmmt -112.18 15.91 20.31 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -176.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -88.27 2.53 52.16 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 122.674 1.226 . . . . 0.0 108.405 169.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.8 mt -92.98 87.41 5.76 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 113.924 -1.489 . . . . 0.0 108.707 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 73.49 102.54 0.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.165 -174.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 57.6 mt -72.77 132.48 33.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.071 -170.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -136.41 96.37 3.35 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 173.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.5 p -48.59 107.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -169.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.411 HG13 ' O ' ' A' ' 79' ' ' VAL . 4.6 p -113.0 86.81 9.53 Favored Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.163 170.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.16 137.7 17.36 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.498 2.132 . . . . 0.0 113.327 -172.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.417 HD12 ' N ' ' A' ' 81' ' ' ILE . 4.1 mp -109.75 126.95 66.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 172.472 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -86.33 79.65 8.97 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.289 0.566 . . . . 0.0 110.243 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.1 m -148.1 -164.49 2.03 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.485 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -91.76 109.0 3.67 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.219 -0.991 . . . . 0.0 113.167 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -82.78 72.43 9.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.104 0.478 . . . . 0.0 109.943 174.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.2 m -72.04 111.84 7.61 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.3 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.8 mt -87.66 99.8 12.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.818 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.45 139.21 49.56 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 176.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -136.7 113.19 10.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.525 0.679 . . . . 0.0 112.308 -170.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -116.84 -161.36 0.8 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.229 173.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -98.11 170.22 9.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.912 0.387 . . . . 0.0 110.835 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -83.86 112.41 20.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.598 177.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -82.36 138.95 34.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.001 -178.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.2 p80 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.359 -0.829 . . . . 0.0 109.346 178.127 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.9 m -84.48 7.0 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.161 -175.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -80.79 -175.34 5.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.094 0.473 . . . . 0.0 111.646 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.598 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 7.4 m-20 -62.72 113.75 3.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.738 -173.722 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.436 ' HE3' HD13 ' A' ' 9' ' ' ILE . 58.3 tptt -67.24 -45.78 75.72 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.039 175.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.78 -44.35 97.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.487 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.652 ' HD3' HG13 ' A' ' 48' ' ' ILE . 17.6 ttpp -70.84 -31.77 68.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.502 -178.109 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.72 -42.57 95.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.271 175.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.436 HD13 ' HE3' ' A' ' 5' ' ' LYS . 85.3 mt -62.95 -51.67 69.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.521 176.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -54.46 -49.04 70.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.339 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 p -66.27 -42.86 87.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.331 -178.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.19 -45.7 90.52 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.807 0.337 . . . . 0.0 110.487 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -59.0 -55.33 36.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.721 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.516 ' HG ' HD11 ' A' ' 18' ' ' ILE . 59.3 tp -58.47 -44.45 89.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.763 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -56.47 -34.97 67.4 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.976 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.568 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 17.6 m -59.51 -43.19 93.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.73 -178.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -73.8 -37.48 64.92 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.63 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.516 HD11 ' HG ' ' A' ' 14' ' ' LEU . 69.2 mt -64.44 -51.89 62.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.111 -178.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.7 -7.08 54.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.796 -175.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.568 ' HB2' ' O ' ' A' ' 16' ' ' SER . 26.6 tttp -91.86 -17.12 25.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.167 0.508 . . . . 0.0 110.177 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -90.54 155.35 18.95 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.064 -177.096 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -81.14 -13.15 58.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.642 173.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -90.27 120.47 31.44 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.305 -0.862 . . . . 0.0 108.899 175.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.0 p -81.47 178.06 8.58 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.753 -171.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -52.59 -33.2 45.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.538 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.428 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -70.27 -44.32 68.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.58 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -61.16 -49.84 75.61 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.4 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.46 ' O ' HG12 ' A' ' 32' ' ' ILE . 55.5 mt -65.21 -42.61 94.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.163 -175.684 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.35 -38.26 76.87 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.492 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.513 ' HZ1' ' HB3' ' A' ' 30' ' ' LYS . 9.3 mtpm? -62.94 -37.34 86.65 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.286 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 m -78.69 -34.53 46.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.145 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 28' ' ' ILE . 49.3 mm -69.77 -44.52 79.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.006 0.432 . . . . 0.0 110.639 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.57 24.72 3.64 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.472 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.4 m -128.88 176.49 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.8 m -88.21 154.63 51.95 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.45 -26.48 63.43 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.516 2.144 . . . . 0.0 111.684 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -67.18 -40.69 86.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.594 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.4 m -66.61 -40.99 89.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.565 0.698 . . . . 0.0 109.445 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -66.74 -34.27 77.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.055 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -33.39 75.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.835 -178.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.4 p -67.73 -37.48 82.26 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.985 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 29.6 m0 -67.8 -36.55 80.63 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.162 0.506 . . . . 0.0 109.811 176.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.28 -36.52 83.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.512 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -83.04 -4.9 58.83 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.242 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.29 32.79 85.37 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.612 -177.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.9 mt -73.43 -52.3 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.832 0.349 . . . . 0.0 110.433 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.64 172.05 13.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.566 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.652 HG13 ' HD3' ' A' ' 7' ' ' LYS . 95.6 mt -119.82 129.72 25.21 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -70.21 155.56 64.17 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.613 2.208 . . . . 0.0 111.878 178.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.415 ' O ' HG22 ' A' ' 54' ' ' VAL . 80.1 mtt180 -85.41 170.65 12.51 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.467 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.631 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 24.4 ptm -50.25 -35.46 27.06 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.793 0.683 . . . . 0.0 112.64 -172.599 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.17 -46.17 56.81 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 121.178 -0.534 . . . . 0.0 113.15 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -92.5 -22.4 19.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 50' ' ' ARG . 78.6 t -61.04 -42.6 93.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 110.755 177.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.631 ' HG2' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -67.15 -32.39 73.47 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.95 74.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.665 177.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.15 -50.3 73.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.696 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.84 -28.59 70.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.318 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -74.34 -39.2 62.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -71.94 -31.66 66.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.855 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -92.85 -6.32 49.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.771 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 m120 57.87 42.74 22.65 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.529 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.6 pt -122.98 178.48 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.585 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -98.78 170.77 8.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.702 0.287 . . . . 0.0 110.523 -176.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.722 ' HB2' ' HZ2' ' A' ' 65' ' ' LYS . 0.1 OUTLIER -57.81 -37.08 73.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.509 176.214 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.523 ' O ' ' HG2' ' A' ' 70' ' ' GLU . 1.3 m -61.96 -43.94 97.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.398 -177.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -61.63 -23.37 66.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.819 -174.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.2 mt -90.81 -31.16 16.6 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.8 mm -93.72 -51.49 11.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -170.266 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.523 ' HG2' ' O ' ' A' ' 66' ' ' SER . 9.4 pt-20 -86.87 147.23 25.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.336 0.589 . . . . 0.0 112.03 -173.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -84.69 160.07 20.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.366 -0.833 . . . . 0.0 111.233 -174.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.852 ' H ' ' HD3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -80.69 -3.69 51.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.914 -176.616 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.819 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 6.9 mmpt? -84.58 16.85 2.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.267 0.556 . . . . 0.0 110.537 175.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.434 HD11 ' HB2' ' A' ' 70' ' ' GLU . 59.7 mt -93.08 8.72 38.87 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.416 174.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -80.58 143.05 33.48 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 175.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.742 HD11 ' H ' ' A' ' 76' ' ' ILE . 3.7 mp -61.09 113.77 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.128 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -156.4 107.62 2.44 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.332 -174.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 m 63.62 22.46 13.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.271 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -134.08 86.28 37.5 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.526 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -75.13 112.64 3.6 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.874 2.383 . . . . 0.0 110.807 173.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.562 HG12 ' H ' ' A' ' 83' ' ' SER . 12.8 tt -63.5 138.43 22.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.169 0.509 . . . . 0.0 111.269 -177.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -86.98 20.83 2.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.671 0.748 . . . . 0.0 110.621 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.562 ' H ' HG12 ' A' ' 81' ' ' ILE . 65.0 m -154.72 172.42 17.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.987 179.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.54 44.72 2.26 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.716 176.187 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -76.08 130.23 38.01 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.2 m -83.96 85.56 7.3 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.346 0.593 . . . . 0.0 111.528 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.642 HD22 ' H ' ' A' ' 87' ' ' LEU . 1.8 pt? -96.94 -171.51 2.25 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 172.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -72.45 100.88 2.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.096 0.474 . . . . 0.0 111.493 -174.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -134.57 172.39 12.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.957 175.476 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 50.5 p-80 -69.51 141.5 53.88 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 177.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -102.89 -56.73 2.17 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.849 0.357 . . . . 0.0 110.724 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -121.46 116.65 25.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.443 -176.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -100.8 66.94 1.21 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.982 0.42 . . . . 0.0 110.816 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.68 -0.676 . . . . 0.0 109.238 174.792 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.683 0.277 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.3 t -114.78 105.93 19.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.967 0.413 . . . . 0.0 110.667 -176.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -161.3 126.45 3.61 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.087 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.13 96.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 174.117 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' O ' HG13 ' A' ' 9' ' ' ILE . 21.6 pttm -69.44 -29.86 67.66 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.121 -176.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.442 ' OE1' ' HG2' ' A' ' 5' ' ' LYS . 1.1 mp0 -57.61 -46.8 83.63 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.236 0.541 . . . . 0.0 109.814 174.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.4 ' HA ' HD11 ' A' ' 48' ' ' ILE . 40.5 ttmt -63.7 -37.56 87.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.437 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.78 -35.12 60.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.691 -179.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.498 HG21 ' HA ' ' A' ' 71' ' ' ASP . 94.5 mt -71.2 -47.03 62.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.458 0.171 . . . . 0.0 110.971 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -54.92 -46.95 74.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.637 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.5 p -70.06 -42.55 72.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.991 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -58.14 -51.01 71.49 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.78 -179.349 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.7 -55.75 31.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.562 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.588 ' O ' HG13 ' A' ' 18' ' ' ILE . 52.3 tp -55.35 -51.29 67.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.013 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.481 ' HA ' HD13 ' A' ' 18' ' ' ILE . 25.9 t-20 -61.35 -36.84 81.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.969 -175.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.3 m -68.02 -40.65 82.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.065 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -66.65 -40.15 88.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.633 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.588 HG13 ' O ' ' A' ' 14' ' ' LEU . 78.8 mt -55.47 -44.13 74.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.995 0.426 . . . . 0.0 110.805 177.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.85 -29.41 64.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.5 -178.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -80.62 -40.33 25.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.748 0.309 . . . . 0.0 111.071 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.2 m -67.77 -30.12 69.5 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 120.802 0.334 . . . . 0.0 110.147 175.219 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 58.67 69.7 0.71 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.265 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.0 tptm -133.42 157.88 44.46 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.455 ' OG1' ' HB2' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -75.19 136.22 41.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.733 0.302 . . . . 0.0 111.246 -178.665 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -60.39 -41.69 94.36 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.596 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.626 ' HG ' ' HG3' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -57.01 -43.59 81.94 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.709 177.622 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.455 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 1.4 tm-20 -59.65 -49.91 75.92 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.583 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.482 ' O ' HG13 ' A' ' 32' ' ' ILE . 55.0 mt -59.59 -47.91 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.646 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.11 92.35 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.984 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -63.3 -41.08 98.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.508 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.3 t -71.4 -19.38 62.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.045 0.45 . . . . 0.0 110.881 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.482 HG13 ' O ' ' A' ' 28' ' ' ILE . 96.4 mt -81.95 -44.78 20.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.114 0.483 . . . . 0.0 110.25 176.357 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 113.44 23.12 5.24 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.547 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.5 m -125.12 -176.19 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.3 m -101.7 156.72 34.86 Favored Pre-proline 0 C--N 1.319 -0.739 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.626 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 33.8 Cg_exo -56.65 -30.19 82.64 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.693 2.262 . . . . 0.0 112.301 178.383 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -63.93 -39.74 94.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.13 0.49 . . . . 0.0 110.358 174.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.5 m -67.34 -40.27 85.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.735 0.779 . . . . 0.0 109.059 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -64.74 -34.99 79.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.205 177.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -64.41 -37.81 88.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.343 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.4 p -64.83 -23.9 67.38 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.815 0.341 . . . . 0.0 111.079 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.413 ' CD1' ' HD3' ' A' ' 49' ' ' PRO . 26.5 m0 -88.8 -40.99 12.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.061 0.458 . . . . 0.0 109.978 177.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 35.6 t -65.44 -37.46 86.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.381 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.458 ' HB3' HG13 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -83.66 -0.95 52.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.305 178.201 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.49 46.34 94.01 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.251 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.458 HG13 ' HB3' ' A' ' 44' ' ' LYS . 73.8 mt -93.09 -49.22 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.857 0.36 . . . . 0.0 110.274 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.49 153.3 51.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.542 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.4 HD11 ' HA ' ' A' ' 7' ' ' LYS . 95.7 mt -105.36 125.75 32.67 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.841 177.201 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.418 ' HB2' ' HB2' ' A' ' 53' ' ' LYS . 63.6 Cg_endo -70.58 172.55 13.23 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.882 2.388 . . . . 0.0 112.089 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.4 ' O ' HG22 ' A' ' 54' ' ' VAL . 95.2 mtt180 -92.5 168.4 11.29 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.617 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 10.6 mmt -50.84 -42.2 58.41 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -173.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.06 -33.35 64.11 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.666 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.418 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 94.7 mttt -86.01 -34.66 20.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.936 0.398 . . . . 0.0 110.418 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 50' ' ' ARG . 61.8 t -62.97 -34.69 67.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.536 177.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.617 ' HG2' ' O ' ' A' ' 51' ' ' MET . 28.8 mm-40 -60.97 -37.8 83.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 178.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.65 -41.22 79.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.846 0.355 . . . . 0.0 110.481 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.15 -49.51 77.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.441 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.12 -29.26 70.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.536 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -78.16 -40.61 37.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.846 -178.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.46 ' CE2' HG12 ' A' ' 28' ' ' ILE . 66.5 t80 -60.82 -41.66 96.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.78 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -87.02 -13.23 45.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.324 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 61.05 33.43 19.61 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.653 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.443 HG13 ' H ' ' A' ' 64' ' ' ASN . 1.5 pt -104.56 -87.31 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.499 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.443 ' H ' HG13 ' A' ' 63' ' ' ILE . 15.4 t-20 -176.12 163.0 2.58 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 176.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -69.68 -30.45 68.11 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.082 0.467 . . . . 0.0 110.105 176.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.2 m -62.89 -41.65 99.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.499 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -62.71 -25.22 68.06 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.703 -177.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.36 -39.84 10.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.58 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.5 mm -77.46 -39.81 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.745 -174.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -93.54 172.93 7.96 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 120.905 0.383 . . . . 0.0 111.997 -173.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.498 ' HA ' HG21 ' A' ' 9' ' ' ILE . 5.3 t0 -66.69 160.64 25.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.765 -175.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -81.13 19.99 0.86 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.517 0.675 . . . . 0.0 110.439 -176.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -84.14 14.06 4.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.615 -178.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.2 mt -75.19 78.44 2.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.132 178.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -84.72 108.06 17.23 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.598 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 47.2 mt -69.63 151.18 9.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.98 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -76.05 13.92 0.79 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.006 0.431 . . . . 0.0 111.933 -176.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.3 p -86.21 -167.01 1.71 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.66 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.426 ' HA ' ' HD2' ' A' ' 80' ' ' PRO . 5.6 p -105.08 89.35 2.94 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-O 121.176 0.512 . . . . 0.0 110.496 178.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 79' ' ' VAL . 18.3 Cg_endo -57.01 141.39 94.05 Favored 'Trans proline' 0 C--O 1.237 0.451 0 C-N-CA 123.303 2.669 . . . . 0.0 113.14 -174.063 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 59.3 mt -65.86 143.36 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.515 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.472 ' CD ' ' H ' ' A' ' 82' ' ' GLU . 1.8 mp0 -55.59 103.21 0.09 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.243 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 t -138.61 135.14 34.62 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -93.18 177.46 38.09 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.258 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -144.21 133.07 22.55 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.7 p -97.09 131.87 43.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.955 0.407 . . . . 0.0 111.275 -178.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -104.44 131.98 51.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -75.27 128.15 34.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.52 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -107.83 133.77 51.73 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -79.34 -39.56 32.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.844 -176.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 61.75 90.89 0.07 Allowed 'General case' 0 CA--C 1.53 0.19 0 O-C-N 123.684 0.615 . . . . 0.0 111.658 177.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -134.93 113.75 11.84 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -80.32 -10.02 59.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.43 -174.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 . . . . . 0 C--O 1.246 0.914 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.294 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.809 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 1.9 mpt? . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.4 m -137.49 132.8 45.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.141 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 79.2 mttt 61.74 103.23 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.728 0.642 . . . . 0.0 112.585 176.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.7 t70 71.62 29.09 2.67 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 122.016 0.913 . . . . 0.0 109.01 -177.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.809 ' HB2' ' HB3' ' A' ' 1' ' ' MET . 25.6 pttm -70.08 -24.31 63.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.415 -1.266 . . . . 0.0 112.33 -172.047 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -39.66 86.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.352 0.596 . . . . 0.0 109.905 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.439 ' HA ' HD13 ' A' ' 48' ' ' ILE . 9.3 mtpm? -71.76 -26.8 62.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.288 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.75 -37.82 58.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.931 0.396 . . . . 0.0 110.693 177.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.4 mt -66.39 -51.61 56.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.374 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -54.02 -48.41 70.52 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.475 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.461 ' HB3' ' HA2' ' A' ' 45' ' ' GLY . 13.7 p -67.07 -46.89 72.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.865 -176.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.68 -41.07 76.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.944 0.402 . . . . 0.0 110.865 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.41 -53.7 32.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.38 178.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.3 tp -58.29 -39.72 80.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.675 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.659 ' ND2' ' HG ' ' A' ' 43' ' ' CYS . 3.5 t-20 -56.13 -40.47 73.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.351 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -65.82 -42.78 90.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.89 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -65.07 -39.04 92.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.978 0.418 . . . . 0.0 110.824 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.9 mt -71.21 -41.83 75.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.993 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.2 -29.62 69.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.925 0.393 . . . . 0.0 111.36 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -72.02 -31.23 65.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.335 0.588 . . . . 0.0 110.126 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.9 t -67.43 143.78 56.08 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.362 -176.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -87.99 -0.24 56.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.266 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -90.74 -177.39 4.98 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.195 0.521 . . . . 0.0 111.651 -175.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.473 ' O ' HG13 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -104.14 151.02 23.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.725 -178.635 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -66.17 -41.52 90.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.216 0.532 . . . . 0.0 109.796 178.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.649 ' HG ' ' HG3' ' A' ' 36' ' ' PRO . 1.3 tt -56.05 -47.31 78.14 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.532 174.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -60.99 -43.27 99.1 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 114.595 -1.184 . . . . 0.0 111.493 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.534 ' O ' HG12 ' A' ' 32' ' ' ILE . 78.0 mt -64.48 -53.59 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.587 177.111 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.09 94.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.79 -176.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.416 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 9.1 tmtt? -60.92 -39.67 90.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.122 -178.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.8 m -72.22 -27.87 62.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.534 HG12 ' O ' ' A' ' 28' ' ' ILE . 47.4 mm -70.3 -44.94 77.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-O 121.177 0.513 . . . . 0.0 110.233 176.875 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.8 20.17 4.64 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.687 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.5 m -128.02 169.84 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -82.85 144.34 47.97 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.364 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.649 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 11.6 Cg_endo -58.13 -28.69 84.74 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.779 2.319 . . . . 0.0 111.777 175.618 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.595 HE22 ' HG2' ' A' ' 36' ' ' PRO . 2.5 mp0 -59.2 -39.67 83.37 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.117 176.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.5 m -78.45 -37.65 43.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.044 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -61.97 -37.0 83.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.735 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -61.1 -42.54 98.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.506 HG21 HD12 ' A' ' 46' ' ' ILE . 40.1 p -69.26 -24.9 64.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.476 -178.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.642 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 51.5 m0 -73.04 -42.64 62.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.327 0.584 . . . . 0.0 109.532 174.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.659 ' HG ' ' ND2' ' A' ' 15' ' ' ASN . 17.5 t -67.67 -29.57 68.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.217 -177.505 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -89.21 0.57 56.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.641 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.461 ' HA2' ' HB3' ' A' ' 11' ' ' SER . . . 74.32 13.44 81.49 Favored Glycine 0 C--O 1.235 0.167 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.59 178.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.506 HD12 HG21 ' A' ' 41' ' ' THR . 68.5 mt -66.97 -45.09 87.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.959 0.409 . . . . 0.0 110.036 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.28 160.53 40.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.025 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.439 HD13 ' HA ' ' A' ' 7' ' ' LYS . 31.9 mt -118.43 134.41 23.45 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.719 175.642 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.685 ' HB2' ' HB2' ' A' ' 53' ' ' LYS . 69.8 Cg_endo -72.25 169.46 21.52 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.89 2.393 . . . . 0.0 112.631 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -86.89 176.02 7.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.866 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.556 ' HE1' ' HA ' ' A' ' 51' ' ' MET . 0.3 OUTLIER -50.5 -47.81 57.15 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -171.522 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.74 -28.5 63.05 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.384 -0.436 . . . . 0.0 113.102 -177.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.685 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 3.4 mptp? -89.13 -38.52 14.26 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -61.51 -42.42 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.715 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -65.04 -33.53 76.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.78 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.75 -42.24 77.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.28 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.5 -48.76 76.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.718 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.18 -30.89 71.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.223 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.36 -35.9 40.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.84 0.353 . . . . 0.0 110.493 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -58.27 -40.91 83.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.885 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -94.1 -6.98 43.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.01 179.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 64.4 t30 55.49 67.75 0.97 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.63 -174.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.7 pt -139.07 -175.06 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.716 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -106.43 178.71 4.48 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.875 -0.416 . . . . 0.0 109.875 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HE3' ' HB2' ' A' ' 65' ' ' LYS . 13.6 ptmt -67.73 -35.71 79.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.686 0.279 . . . . 0.0 110.537 177.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.425 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 16.3 m -60.58 -38.1 83.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.576 -175.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -56.79 -34.28 67.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.604 -176.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.5 mt -94.54 -28.75 15.26 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.6 mm -88.15 -37.18 10.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -172.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -76.22 147.69 38.19 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -79.11 167.89 20.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.07 0.462 . . . . 0.0 110.572 -176.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -80.04 28.97 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.305 -172.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -84.49 44.23 1.02 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 171.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.1 mt -77.96 76.97 4.47 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.514 -172.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -92.98 33.17 1.19 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 172.445 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.435 ' C ' ' H ' ' A' ' 78' ' ' THR . 20.4 mm -81.63 166.46 2.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.583 -177.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -72.11 10.13 0.82 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.01 0.433 . . . . 0.0 111.937 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.509 ' O ' ' HD3' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -82.8 -164.07 0.81 Allowed 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.764 176.686 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.6 p -106.91 89.06 4.06 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 121.021 0.439 . . . . 0.0 110.765 177.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.509 ' HD3' ' O ' ' A' ' 78' ' ' THR . 52.6 Cg_exo -54.54 114.01 1.63 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.759 2.306 . . . . 0.0 112.252 -178.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.4 tt -86.65 157.36 3.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.437 -177.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.78 106.89 2.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.85 0.357 . . . . 0.0 110.164 174.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.8 t -99.89 -174.15 2.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.981 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.65 142.58 16.04 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.909 -175.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -89.09 115.39 26.59 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.7 m -67.13 125.55 26.39 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.254 0.549 . . . . 0.0 111.641 -175.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 tt -98.67 97.7 8.93 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 174.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -105.66 87.86 2.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.4 0.619 . . . . 0.0 110.606 -176.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -101.28 3.25 40.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.124 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -121.82 161.04 23.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.829 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 -122.99 139.08 54.45 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 170.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -94.14 -79.13 0.42 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.39 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 67.7 t60 67.86 141.17 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.767 0.794 . . . . 0.0 111.884 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.3 p80 . . . . . 0 C--O 1.246 0.886 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.733 176.66 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.416 HG12 ' O ' ' A' ' 3' ' ' LYS . 71.7 t 74.3 -58.86 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 O-C-N 123.613 0.571 . . . . 0.0 112.194 174.05 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.578 ' HG2' ' N ' ' A' ' 4' ' ' ASP . 59.0 tttp 66.21 176.97 0.22 Allowed 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -174.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.578 ' N ' ' HG2' ' A' ' 3' ' ' LYS . 21.9 t70 67.64 34.03 4.72 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 122.01 0.909 . . . . 0.0 109.683 173.216 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -71.17 -25.25 62.46 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.58 -1.191 . . . . 0.0 112.545 -172.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -59.56 -42.7 93.03 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -173.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.564 ' HZ1' ' CG ' ' A' ' 4' ' ' ASP . 2.2 ptpp? -65.21 -36.95 85.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.71 0.291 . . . . 0.0 111.506 -177.367 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.12 -43.72 82.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.71 -51.25 58.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.635 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -55.82 -49.4 73.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.036 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.517 ' HB2' ' HA3' ' A' ' 45' ' ' GLY . 40.0 t -61.36 -51.67 67.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.09 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -62.83 -36.38 83.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.876 0.369 . . . . 0.0 111.276 -173.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -72.51 -55.74 6.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.816 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.43 ' O ' HG13 ' A' ' 18' ' ' ILE . 50.5 tp -61.49 -45.58 93.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.548 -176.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -58.39 -38.96 78.39 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.069 0.461 . . . . 0.0 110.757 -175.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.1 m -62.04 -44.46 96.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.124 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -70.57 -31.86 69.04 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.389 -0.194 . . . . 0.0 111.061 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 14' ' ' LEU . 84.0 mt -63.81 -40.16 88.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.225 0.536 . . . . 0.0 110.21 176.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.46 -37.27 63.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.464 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -72.28 -33.98 67.84 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 p -75.94 -26.53 56.97 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.156 0.503 . . . . 0.0 109.656 174.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 62.56 30.78 17.1 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.685 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -94.47 150.33 20.37 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.94 174.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.501 ' OG1' ' HB2' ' A' ' 27' ' ' GLU . 1.3 p -75.79 146.32 40.07 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.946 0.403 . . . . 0.0 111.421 -176.429 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -58.87 -38.75 79.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.829 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -62.64 -44.98 94.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.249 177.704 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.501 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 0.8 OUTLIER -61.35 -52.06 66.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.885 -178.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.497 ' O ' HG12 ' A' ' 32' ' ' ILE . 61.6 mt -64.8 -40.36 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.109 -178.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.42 -43.22 75.1 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.521 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -64.43 -42.64 95.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.067 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.1 m -66.36 -29.7 69.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.497 HG12 ' O ' ' A' ' 28' ' ' ILE . 39.6 mm -74.56 -43.55 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.048 0.452 . . . . 0.0 110.346 176.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.57 18.54 4.41 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.321 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.3 m -126.67 173.87 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.721 0.296 . . . . 0.0 110.649 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.6 m -85.07 155.18 60.83 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.08 176.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.3 Cg_endo -56.77 -29.91 82.62 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.72 2.28 . . . . 0.0 112.147 -179.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -66.03 -40.34 90.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.458 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.9 m -70.41 -37.07 74.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.707 0.765 . . . . 0.0 109.306 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -69.05 -34.69 75.59 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.961 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -64.47 -38.39 90.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.478 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.447 HG22 HD12 ' A' ' 46' ' ' ILE . 31.9 p -69.96 -22.68 63.14 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.011 -0.275 . . . . 0.0 111.279 177.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -76.99 -40.94 44.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.968 0.414 . . . . 0.0 110.055 175.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.1 t -64.9 -37.75 88.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.378 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.531 ' HB3' HG13 ' A' ' 46' ' ' ILE . 21.2 mmtt -71.02 -18.11 62.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.844 174.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.517 ' HA3' ' HB2' ' A' ' 11' ' ' SER . . . 69.89 39.19 75.55 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.152 -175.576 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.531 HG13 ' HB3' ' A' ' 44' ' ' LYS . 71.8 mt -85.47 -40.35 14.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.105 0.478 . . . . 0.0 110.594 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.54 147.67 41.53 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.738 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.4 HD12 ' N ' ' A' ' 48' ' ' ILE . 4.3 mp -111.79 125.25 30.65 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.464 ' HB2' ' HB2' ' A' ' 53' ' ' LYS . 74.0 Cg_endo -75.13 174.66 12.41 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.987 2.458 . . . . 0.0 112.283 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.419 ' HB3' ' H ' ' A' ' 51' ' ' MET . 31.7 mtm180 -99.98 -168.09 1.55 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.419 ' H ' ' HB3' ' A' ' 50' ' ' ARG . 53.0 tpp -50.34 -47.1 56.04 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.844 -168.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.7 -34.07 80.42 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 113.207 -175.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.464 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 9.7 mptt -92.87 -34.76 13.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.534 0.207 . . . . 0.0 111.065 -177.732 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.62 -42.8 96.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.781 0.324 . . . . 0.0 110.311 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -63.4 -38.92 93.02 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.86 -40.44 95.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.605 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.87 -50.13 67.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.234 176.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.31 -43.97 88.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.409 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -63.87 -42.04 97.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.204 0.526 . . . . 0.0 110.74 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -65.53 -33.3 75.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.004 -176.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -100.29 5.76 44.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.446 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 56.41 54.49 7.51 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.595 0.712 . . . . 0.0 111.011 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.9 pt -136.69 -171.45 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.806 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.4 ' HB2' ' OD1' ' A' ' 67' ' ' ASP . 35.9 m-80 -100.73 162.09 13.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.799 0.333 . . . . 0.0 110.191 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -60.21 -31.58 70.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.265 0.555 . . . . 0.0 110.952 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -72.62 -20.83 61.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.03 -176.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.4 ' OD1' ' HB2' ' A' ' 64' ' ' ASN . 6.5 m-20 -67.75 -24.72 65.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.112 0.482 . . . . 0.0 111.098 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.5 mt -92.98 -20.64 20.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.3 mm -90.79 -49.3 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.986 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -89.21 162.74 15.73 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.759 -177.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.586 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 12.4 t70 -80.85 157.6 25.63 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.1 pttm -83.82 12.99 5.23 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.267 0.556 . . . . 0.0 111.232 -177.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -92.45 21.62 5.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.257 177.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.586 ' HG ' ' O ' ' A' ' 71' ' ' ASP . 57.8 mt -78.55 88.59 4.49 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 121.22 0.534 . . . . 0.0 111.838 -173.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -74.5 103.22 4.75 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.336 169.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.7 mm -71.54 132.27 33.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.118 -176.134 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -104.25 91.72 4.04 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.634 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.12 100.9 0.48 Allowed 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.256 177.47 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.1 t -123.41 87.75 51.75 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.991 178.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -73.19 178.24 6.82 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.806 2.337 . . . . 0.0 112.479 -178.044 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.9 tt -127.82 134.38 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.157 0.503 . . . . 0.0 110.398 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -81.96 94.82 7.22 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.443 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.5 m -114.9 159.13 21.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.744 -178.334 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -97.74 -122.36 4.45 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.8 -176.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -114.37 -178.93 3.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.009 0.433 . . . . 0.0 110.986 -175.241 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.7 t -113.22 177.18 4.72 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 173.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 76.1 mt -90.66 135.95 33.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.946 0.403 . . . . 0.0 110.33 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -81.62 175.16 10.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.473 0.654 . . . . 0.0 110.989 -177.167 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 63.8 m80 -104.63 81.28 1.76 Allowed 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 163.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -79.4 52.8 1.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.683 -165.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 63.19 -173.48 0.16 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.793 0.806 . . . . 0.0 112.91 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.5 ' HD1' ' C ' ' A' ' 94' ' ' HIS . 0.6 OUTLIER -145.2 170.38 16.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.57 -177.092 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -91.48 13.03 18.82 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.697 0.761 . . . . 0.0 110.509 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.5 ' C ' ' HD1' ' A' ' 92' ' ' HIS . 73.4 t60 . . . . . 0 C--O 1.247 0.934 0 CA-C-N 114.605 -1.18 . . . . 0.0 108.272 176.37 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.643 0.258 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.9 p -146.57 162.42 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.1 tptm 68.17 86.45 0.13 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.763 0.792 . . . . 0.0 109.605 -176.594 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.694 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 5.0 m-20 -70.78 129.37 38.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.754 -170.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -69.7 -41.67 75.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.91 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -64.16 -32.95 74.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.234 -175.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.694 ' HD3' ' HB2' ' A' ' 4' ' ' ASP . 41.4 mtpt -66.66 -32.54 73.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.974 0.416 . . . . 0.0 110.733 177.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.61 -37.37 59.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.4 174.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.447 HG22 ' HB2' ' A' ' 71' ' ' ASP . 71.7 mt -63.11 -48.83 85.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.997 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -59.67 -51.66 68.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.1 p -62.26 -37.32 85.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.809 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.75 -52.83 63.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.006 0.432 . . . . 0.0 110.449 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -67.63 -43.0 81.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.008 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.5 tp -61.71 -45.04 95.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 110.376 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -65.97 -34.04 77.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.559 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.1 t -53.95 -45.06 71.18 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.208 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -69.3 -49.26 57.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.965 0.412 . . . . 0.0 110.549 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.3 mt -64.09 -39.74 86.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.598 -175.195 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.18 -31.98 66.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.306 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -71.84 -41.02 68.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.269 0.556 . . . . 0.0 109.591 176.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.6 t -64.47 154.17 36.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.174 -176.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -99.15 24.01 8.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.946 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.534 ' HE3' ' HG3' ' A' ' 27' ' ' GLU . 41.7 tptt -109.09 150.76 27.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.661 -179.193 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 p -81.15 146.89 30.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.017 0.436 . . . . 0.0 111.834 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.4 mt-30 -61.04 -40.28 93.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.363 178.36 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.56 -45.91 81.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.824 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.534 ' HG3' ' HE3' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -57.8 -47.37 82.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.161 0.505 . . . . 0.0 110.671 -179.521 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.592 ' O ' HG12 ' A' ' 32' ' ' ILE . 62.9 mt -65.56 -48.89 81.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.636 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.33 84.15 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.718 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -64.12 -39.13 93.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.5 m -67.88 -34.69 77.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.882 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.592 HG12 ' O ' ' A' ' 28' ' ' ILE . 48.5 mm -65.14 -44.36 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.242 0.544 . . . . 0.0 109.537 174.466 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 118.33 18.78 4.85 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.021 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.93 160.04 20.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.993 0.425 . . . . 0.0 110.625 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.7 m -73.62 146.98 86.57 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.188 176.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.68 -26.21 71.79 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.605 2.204 . . . . 0.0 111.401 176.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -63.52 -43.48 97.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.302 176.016 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.6 m -70.82 -39.06 73.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.35 0.595 . . . . 0.0 109.843 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -63.42 -34.66 78.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.909 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -66.49 -39.69 88.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.019 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.0 p -68.07 -22.95 64.91 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.717 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.586 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 54.6 m0 -76.3 -45.16 33.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.241 0.543 . . . . 0.0 109.547 173.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.5 t -62.54 -31.05 71.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.527 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.796 ' HA ' ' HE2' ' A' ' 44' ' ' LYS . 6.9 mmpt? -85.75 -3.73 58.98 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.526 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.1 24.81 75.8 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.903 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.4 mt -77.74 -37.6 24.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.306 0.574 . . . . 0.0 110.13 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.21 150.1 33.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.168 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.515 HD13 ' HA ' ' A' ' 7' ' ' LYS . 86.8 mt -106.54 128.36 26.38 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.691 176.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.586 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 42.7 Cg_endo -64.97 153.37 78.57 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.547 2.165 . . . . 0.0 111.538 178.679 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.457 ' O ' HG21 ' A' ' 54' ' ' VAL . 48.8 mtt180 -90.51 173.93 7.81 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -178.776 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 82.8 mtp -54.97 -30.78 59.83 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -170.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.59 -45.15 96.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.565 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.585 ' N ' ' HE2' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -85.62 -31.49 22.55 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.48 -0.423 . . . . 0.0 111.078 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.457 HG21 ' O ' ' A' ' 50' ' ' ARG . 65.2 t -63.98 -34.16 66.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.805 0.336 . . . . 0.0 110.289 178.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -52.92 -42.47 65.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.74 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.412 ' HB3' HG21 ' A' ' 32' ' ' ILE . . . -69.78 -40.02 76.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.759 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.4 -48.12 82.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.513 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.97 -28.58 69.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.077 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.67 -41.84 59.56 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.095 0.474 . . . . 0.0 110.752 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -64.07 -40.61 96.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.965 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -91.0 -6.99 53.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.293 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.2 m120 54.78 57.71 5.45 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.511 0.672 . . . . 0.0 111.237 -176.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.5 pt -134.49 -171.84 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.823 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -96.71 160.43 14.38 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.7 -32.56 74.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.061 0.458 . . . . 0.0 110.212 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.636 ' O ' ' HG2' ' A' ' 70' ' ' GLU . 18.7 p -74.63 -26.06 59.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.721 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -61.81 -24.88 67.15 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -172.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.87 -19.85 22.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.736 0.303 . . . . 0.0 111.473 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.0 mm -87.8 -42.11 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.102 -174.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.636 ' HG2' ' O ' ' A' ' 66' ' ' SER . 7.8 pt-20 -83.12 144.16 30.04 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.258 0.551 . . . . 0.0 111.466 -177.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.447 ' HB2' HG22 ' A' ' 9' ' ' ILE . 11.1 t70 -108.36 126.12 52.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.701 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.942 ' HZ1' ' HB2' ' A' ' 72' ' ' LYS . 2.3 ttmp? 68.04 8.4 6.48 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.759 172.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.628 ' HB3' ' HZ2' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -92.61 4.58 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.78 0.8 . . . . 0.0 109.446 174.43 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 73.7 mt -94.31 63.04 3.0 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.086 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 67.7 107.59 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.54 -170.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.0 mm -44.55 123.87 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.729 -171.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -82.42 87.58 6.62 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.79 -1.095 . . . . 0.0 109.237 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.9 t -57.0 138.54 54.2 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.388 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.4 t -120.6 86.74 40.49 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.693 -178.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -81.25 -172.22 1.44 Allowed 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.767 2.311 . . . . 0.0 111.525 176.411 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.2 tt -64.09 140.04 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 172.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.433 ' CD ' ' H ' ' A' ' 82' ' ' GLU . 1.2 pm0 -70.75 112.06 6.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.538 0.685 . . . . 0.0 111.318 -172.59 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.3 t -85.06 172.78 11.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.139 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.31 109.84 2.36 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.039 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.452 ' HD2' ' HB2' ' A' ' 87' ' ' LEU . 79.3 t80 -147.48 133.37 19.1 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -178.147 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.7 m -73.09 99.03 2.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.415 0.626 . . . . 0.0 110.056 177.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.452 ' HB2' ' HD2' ' A' ' 85' ' ' TYR . 57.4 tp -131.06 133.92 46.14 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.356 -174.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.82 131.92 54.72 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -135.7 113.27 10.82 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.947 0.403 . . . . 0.0 110.469 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -92.55 107.74 19.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.578 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -72.53 110.51 6.97 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.357 -177.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -81.62 143.81 31.67 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -129.53 140.66 51.18 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 80.2 t60 . . . . . 0 C--O 1.243 0.728 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.826 178.676 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 121.05 0.452 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.1 t -86.33 108.71 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.12 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -96.38 113.98 25.61 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -69.03 115.77 8.72 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.484 ' O ' HG13 ' A' ' 9' ' ' ILE . 61.6 mttp -69.4 -45.59 68.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.541 -176.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -58.49 -42.94 88.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.075 0.464 . . . . 0.0 110.866 -178.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -66.99 -36.53 82.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.861 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.0 -31.97 64.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.07 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 5' ' ' LYS . 85.7 mt -66.53 -42.5 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 174.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -57.83 -47.87 81.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.981 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 p -67.44 -46.85 71.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.098 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -57.83 -41.6 82.63 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.323 0.583 . . . . 0.0 110.327 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.82 -51.56 64.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.265 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 18' ' ' ILE . 43.6 tp -58.5 -48.05 82.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.335 -179.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -58.92 -32.86 69.94 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.717 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.3 m -58.67 -37.76 76.71 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -75.8 -46.52 30.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.99 178.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.523 HD11 ' HG ' ' A' ' 14' ' ' LEU . 52.3 mt -60.8 -40.82 86.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.619 -174.723 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.25 -12.83 60.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.793 -176.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -104.13 -17.64 14.83 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.142 0.496 . . . . 0.0 110.407 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.9 t -83.1 168.36 16.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.088 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -90.22 -3.68 57.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.281 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.609 ' HG2' ' OH ' ' A' ' 60' ' ' TYR . 1.9 mptm? -86.52 149.15 25.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.621 -176.413 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.5 p -98.35 167.37 10.88 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.378 176.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -60.17 -33.86 72.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.279 0.562 . . . . 0.0 110.303 178.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mt -68.05 -41.54 81.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.352 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -62.39 -50.75 70.3 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.559 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.463 ' O ' HG12 ' A' ' 32' ' ' ILE . 58.8 mt -63.37 -44.48 99.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.84 -177.5 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.99 -42.14 79.7 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.793 0.33 . . . . 0.0 111.064 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.467 ' C ' ' HD2' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -60.31 -43.91 95.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.51 177.819 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.3 m -74.99 -18.74 60.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.769 -174.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.463 HG12 ' O ' ' A' ' 28' ' ' ILE . 50.5 mm -87.52 -44.7 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.04 0.448 . . . . 0.0 109.925 175.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.56 28.6 2.28 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.032 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.414 ' HB ' ' HB ' ' A' ' 38' ' ' THR . 27.0 m -131.53 176.74 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.772 0.32 . . . . 0.0 110.721 -178.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 m -84.24 156.53 63.07 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.54 -33.66 93.34 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.577 2.185 . . . . 0.0 111.781 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -73.97 -27.67 61.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.347 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.414 ' HB ' ' HB ' ' A' ' 34' ' ' VAL . 1.8 m -71.14 -38.18 72.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -71.35 -40.52 70.63 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.284 -1.325 . . . . 0.0 110.456 177.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 17.7 t30 -68.23 -32.7 73.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.926 -176.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.51 HG23 HD13 ' A' ' 46' ' ' ILE . 1.9 p -67.32 -33.79 76.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.78 0.324 . . . . 0.0 110.665 176.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.505 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 35.0 m0 -70.17 -38.63 75.46 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 171.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 96.3 m -62.45 -31.25 71.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.254 177.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.425 ' HB3' ' HE3' ' A' ' 44' ' ' LYS . 26.7 mtpp -84.75 -3.55 58.64 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 177.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.61 29.36 74.45 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.61 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.51 HD13 HG23 ' A' ' 41' ' ' THR . 75.6 mt -72.87 -49.48 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.126 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.82 156.77 46.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.069 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.2 mt -100.23 129.41 28.22 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.505 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 37.5 Cg_endo -64.82 169.3 11.86 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.625 2.217 . . . . 0.0 112.055 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.403 ' O ' HG21 ' A' ' 54' ' ' VAL . 9.8 ttm180 -75.9 160.32 30.03 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 48.6 ttm -50.43 -41.75 52.94 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -168.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.36 -47.57 90.44 Favored Glycine 0 CA--C 1.516 0.153 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.933 -177.278 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 49.6 mttp -76.47 -22.01 55.11 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.74 -0.271 . . . . 0.0 111.589 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.489 HG22 ' HG2' ' A' ' 49' ' ' PRO . 94.3 t -65.4 -42.69 94.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 173.301 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -66.74 -32.97 74.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.125 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.84 -42.68 94.74 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.737 176.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.0 mt -59.14 -49.79 76.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.799 177.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.21 91.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.83 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.3 -45.42 93.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.041 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . 0.609 ' OH ' ' HG2' ' A' ' 23' ' ' LYS . 85.2 t80 -59.46 -38.75 81.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.146 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -90.23 4.86 49.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.959 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 64.55 18.44 11.38 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.185 174.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.1 pt -111.58 179.42 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.033 0.444 . . . . 0.0 111.503 -174.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -93.36 162.6 13.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.563 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -66.07 -33.67 76.32 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.031 0.443 . . . . 0.0 110.109 179.277 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.41 ' N ' ' HG2' ' A' ' 65' ' ' LYS . 13.5 m -66.94 -21.2 65.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.866 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -73.78 -25.48 60.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 110.445 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 86.3 mt -93.81 -37.06 11.96 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.248 177.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.8 mm -69.29 -46.4 77.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.004 -179.297 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -92.38 153.7 19.0 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.834 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -91.12 150.5 21.37 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -84.83 27.36 0.75 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.903 -166.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -93.33 16.92 12.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.17 0.509 . . . . 0.0 109.868 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.24 77.45 1.81 Allowed 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.726 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -94.65 -162.86 0.98 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 176.356 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 45.8 mm -64.71 127.7 25.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.986 0.422 . . . . 0.0 110.678 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -163.78 120.2 1.7 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 p -45.19 116.94 1.22 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -175.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.0 p -117.34 87.74 25.61 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 121.648 0.737 . . . . 0.0 109.78 176.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -72.28 165.86 31.41 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.727 2.285 . . . . 0.0 112.734 -176.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.6 mt -74.92 127.6 36.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.865 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -100.54 -170.54 1.88 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.166 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.7 m -66.24 119.76 12.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.097 0.475 . . . . 0.0 110.836 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.73 -135.58 7.22 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -139.35 -176.45 4.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.841 0.353 . . . . 0.0 110.68 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.2 t -78.03 168.61 19.62 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.216 -177.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.9 pp -76.02 168.53 19.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.944 0.402 . . . . 0.0 110.779 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -93.73 142.74 27.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.258 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -69.92 160.29 32.14 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -103.44 162.42 13.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.046 0.45 . . . . 0.0 111.593 -173.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -64.5 -70.56 0.22 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.823 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.468 ' HB3' ' H ' ' A' ' 93' ' ' HIS . 3.3 t60 176.94 -90.55 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.195 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.468 ' H ' ' HB3' ' A' ' 92' ' ' HIS . 29.3 m80 -149.29 -58.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 171.33 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.0 m170 . . . . . 0 C--O 1.244 0.796 0 CA-C-O 118.432 -0.794 . . . . 0.0 109.64 172.496 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.1 mtt . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.818 0.342 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.1 m -120.47 -31.05 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.436 173.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt 66.5 -74.46 0.06 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.357 0.663 . . . . 0.0 111.473 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.409 ' HB3' ' HB3' ' A' ' 7' ' ' LYS . 15.9 t70 -165.47 129.47 2.31 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 176.021 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -69.69 -49.63 51.65 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -173.213 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -73.84 -30.72 62.83 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.744 -175.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.409 ' HB3' ' HB3' ' A' ' 4' ' ' ASP . 41.8 ttmt -62.3 -42.9 99.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.305 175.838 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.66 -40.89 92.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.8 -51.29 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.402 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.467 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 91.9 t80 -56.34 -49.8 73.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.413 -178.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.475 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 23.9 p -61.14 -45.99 92.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.106 -177.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -69.33 -42.42 75.37 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -59.58 -52.28 66.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.708 0.29 . . . . 0.0 110.716 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.461 ' O ' HG13 ' A' ' 18' ' ' ILE . 58.2 tp -62.98 -41.11 99.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.84 0.352 . . . . 0.0 110.481 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.475 ' HB2' ' O ' ' A' ' 11' ' ' SER . 13.1 t-20 -56.28 -44.72 80.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.44 -177.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.7 p -60.64 -47.73 84.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.169 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -60.28 -38.55 83.94 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.657 0.265 . . . . 0.0 110.937 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 14' ' ' LEU . 88.2 mt -63.72 -48.64 85.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.931 0.396 . . . . 0.0 110.627 178.849 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.21 -32.63 74.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.469 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -76.04 -29.91 58.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.65 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.9 t -77.95 -11.85 59.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.382 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 65.28 14.24 9.29 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.517 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -87.97 150.34 23.5 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 120.851 0.358 . . . . 0.0 110.123 178.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.3 p -81.47 160.6 23.94 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 176.133 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -60.01 -36.73 77.85 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.384 0.611 . . . . 0.0 109.38 175.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.83 -44.89 91.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.905 177.329 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.11 -53.2 59.92 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.436 ' O ' HG13 ' A' ' 32' ' ' ILE . 53.7 mt -68.57 -42.67 83.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.88 -177.485 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.93 -45.66 91.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.978 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.458 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 8.0 tmtm? -63.08 -38.14 89.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.081 0.467 . . . . 0.0 109.952 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.4 m -67.42 -28.26 67.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.066 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 28' ' ' ILE . 73.9 mt -86.87 -44.76 16.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.98 0.419 . . . . 0.0 110.82 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.32 -13.89 8.31 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.096 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -82.78 159.02 3.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.819 0.343 . . . . 0.0 110.849 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 m -76.54 144.02 73.11 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.131 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.84 -33.55 88.75 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.108 2.539 . . . . 0.0 112.787 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -58.78 -45.39 89.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.924 0.392 . . . . 0.0 110.571 177.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.6 m -67.65 -38.42 83.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.62 0.724 . . . . 0.0 109.591 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.64 -42.17 98.17 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.08 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -69.29 -33.32 73.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.363 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.8 p -68.11 -23.29 64.89 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.825 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.667 ' CE2' ' HB3' ' A' ' 49' ' ' PRO . 31.5 m0 -77.57 -45.73 24.41 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 172.069 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.4 m -58.3 -37.16 74.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.825 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -89.15 10.49 21.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.715 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.08 40.38 93.44 Favored Glycine 0 C--N 1.329 0.186 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.872 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 72.9 mt -92.52 -58.76 3.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.246 0.546 . . . . 0.0 109.801 179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.54 155.21 40.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.498 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.2 mt -100.98 129.12 27.92 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.667 ' HB3' ' CE2' ' A' ' 42' ' ' TRP . 61.6 Cg_endo -70.83 145.7 51.64 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.497 2.131 . . . . 0.0 111.482 177.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -76.7 169.72 17.77 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.124 178.304 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 51.1 ttp -59.29 -27.74 66.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -167.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.99 -32.05 82.78 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.289 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.464 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 3.2 mptp? -90.63 -36.05 14.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.722 0.296 . . . . 0.0 110.455 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.54 -39.89 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.056 0.455 . . . . 0.0 110.149 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.63 -41.6 95.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.739 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.87 85.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.18 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.56 -50.79 69.95 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.866 0.365 . . . . 0.0 110.45 177.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.49 72.39 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.657 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.44 -46.82 65.84 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.237 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -67.69 -38.52 83.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.139 0.495 . . . . 0.0 110.843 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -89.12 -6.13 57.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.143 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.9 m120 53.87 49.65 18.6 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.392 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.6 pt -129.46 -171.7 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.656 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -97.4 159.53 14.86 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -68.87 -30.6 69.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.996 0.427 . . . . 0.0 110.781 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.9 m -71.75 -22.56 61.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.401 -178.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -64.62 -27.91 69.26 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.954 0.407 . . . . 0.0 110.97 -178.101 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.467 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 97.8 mt -93.76 -20.73 19.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.314 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.8 mm -93.71 -40.14 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -174.346 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . 0.528 ' HB3' HD13 ' A' ' 74' ' ' LEU . 5.2 mm-40 -90.02 153.88 20.24 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.661 0.743 . . . . 0.0 112.68 -172.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -92.36 177.21 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.796 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -92.68 3.36 55.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.545 0.688 . . . . 0.0 110.16 177.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -84.17 27.06 0.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.845 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.528 HD13 ' HB3' ' A' ' 70' ' ' GLU . 80.9 mt -85.26 9.11 16.14 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.66 0.743 . . . . 0.0 110.022 174.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -87.99 119.24 28.17 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.31 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 51.8 mm -67.1 141.26 18.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.211 -175.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -86.28 101.06 12.72 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 122.095 0.95 . . . . 0.0 109.844 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.523 ' O ' ' HD3' ' A' ' 80' ' ' PRO . 58.1 p -67.93 -163.99 0.04 OUTLIER 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.311 -1.313 . . . . 0.0 110.977 175.1 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.9 t -103.83 88.41 1.87 Allowed Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.523 ' HD3' ' O ' ' A' ' 78' ' ' THR . 83.7 Cg_endo -79.24 -162.74 0.19 Allowed 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 123.049 2.499 . . . . 0.0 112.915 -173.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.5 tt -67.56 159.51 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.25 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.417 ' O ' ' HB2' ' A' ' 83' ' ' SER . 46.5 mt-10 -66.02 -169.74 0.07 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 82' ' ' GLU . 44.9 m 75.6 25.51 1.2 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.494 -172.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.65 132.59 12.11 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.152 -178.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.438 ' HH ' ' HG ' ' A' ' 87' ' ' LEU . 27.1 t80 -84.79 107.54 17.01 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.3 p -71.38 -44.98 63.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.948 -175.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.438 ' HG ' ' HH ' ' A' ' 85' ' ' TYR . 3.9 tt 64.86 91.84 0.08 Allowed 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.735 0.647 . . . . 0.0 109.669 -178.018 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -109.12 154.44 22.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.89 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -130.12 96.11 4.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.574 0.702 . . . . 0.0 109.815 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -104.24 96.47 6.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.067 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -74.01 115.53 13.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.761 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -86.01 139.77 30.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.93 0.395 . . . . 0.0 110.672 -175.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -147.85 137.51 22.53 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 174.241 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.562 -0.732 . . . . 0.0 110.142 -178.672 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.4 mtm . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.655 -0.128 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t 48.52 78.08 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 O-C-N 124.058 0.849 . . . . 0.0 111.941 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -136.81 155.55 49.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.295 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.5 t70 69.66 105.2 0.06 Allowed 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.081 0.863 . . . . 0.0 111.415 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -70.53 -29.27 65.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.278 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -67.14 -40.81 86.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.321 -173.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.438 ' HA ' HD11 ' A' ' 48' ' ' ILE . 97.8 mttt -56.45 -34.4 66.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 111.166 178.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.91 -46.72 56.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.983 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.4 mt -68.3 -51.43 47.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.708 0.289 . . . . 0.0 110.958 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -58.56 -49.19 78.32 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.303 -177.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.5 t -68.74 -35.44 77.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.816 -177.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.85 -52.23 65.93 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.352 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -59.84 -46.88 87.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.7 tp -56.54 -45.87 80.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.399 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.57 ' ND2' ' HG ' ' A' ' 43' ' ' CYS . 0.5 OUTLIER -57.91 -41.87 83.55 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.139 179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.2 m -56.91 -51.6 68.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.356 -177.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -67.9 -43.55 79.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.103 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 86.9 mt -60.7 -47.57 92.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.855 0.36 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.31 -17.37 62.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.8 -176.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -81.44 -15.91 53.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.047 0.451 . . . . 0.0 111.416 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.0 t -100.5 139.53 36.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.722 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -100.51 94.88 6.37 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.589 ' HE2' ' HG3' ' A' ' 27' ' ' GLU . 71.0 tttt -161.64 -174.0 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -177.557 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.571 ' H ' ' HG2' ' A' ' 23' ' ' LYS . 12.6 p -101.55 138.31 38.71 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.403 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -61.45 -34.09 74.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.554 177.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.424 ' HG ' ' HG3' ' A' ' 36' ' ' PRO . 1.1 tt -54.37 -46.55 73.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.889 176.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.589 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 1.3 tm-20 -56.76 -45.6 81.98 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.152 0.501 . . . . 0.0 110.671 179.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.47 ' O ' HG13 ' A' ' 32' ' ' ILE . 54.9 mt -63.88 -47.99 88.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.617 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.24 -39.47 92.94 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.032 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.442 ' C ' ' HD3' ' A' ' 30' ' ' LYS . 13.5 tmtt? -62.92 -41.08 99.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.451 178.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.8 t -65.53 -40.49 92.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.467 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 28' ' ' ILE . 76.5 mt -64.08 -44.53 97.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.14 0.495 . . . . 0.0 110.175 176.197 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.72 23.95 5.44 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.073 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.2 m -123.7 174.46 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.6 0.238 . . . . 0.0 110.657 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.4 m -85.6 146.49 44.22 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 120.906 0.384 . . . . 0.0 110.618 178.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.424 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 52.4 Cg_exo -54.61 -37.01 90.88 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 123.112 2.541 . . . . 0.0 113.033 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -69.8 -28.72 65.97 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.644 0.259 . . . . 0.0 111.618 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.3 m -71.64 -38.8 70.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -67.35 -37.48 83.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.456 -1.247 . . . . 0.0 109.871 175.12 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -63.37 -44.16 95.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.503 HG21 HD11 ' A' ' 46' ' ' ILE . 3.1 p -63.64 -32.16 73.55 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.603 0.239 . . . . 0.0 111.593 179.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.486 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 43.3 m0 -70.01 -41.68 74.0 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.237 0.541 . . . . 0.0 109.791 175.615 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.57 ' HG ' ' ND2' ' A' ' 15' ' ' ASN . 31.9 t -71.54 -15.29 62.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.981 -177.725 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -94.97 -4.36 46.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 120.744 0.307 . . . . 0.0 110.923 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.91 25.13 70.09 Favored Glycine 0 N--CA 1.453 -0.168 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.005 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.503 HD11 HG21 ' A' ' 41' ' ' THR . 65.8 mt -80.59 -39.4 18.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.053 0.454 . . . . 0.0 110.617 -179.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.69 156.79 42.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.67 -178.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.438 HD11 ' HA ' ' A' ' 7' ' ' LYS . 97.3 mt -115.21 126.66 27.56 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.018 177.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.486 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 83.0 Cg_endo -73.6 166.49 29.66 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.229 2.619 . . . . 0.0 112.422 -179.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -79.77 174.89 11.13 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.893 0.378 . . . . 0.0 111.425 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.5 tpt -53.27 -34.7 58.33 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.063 -175.304 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.95 -31.08 60.96 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.875 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.46 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 13.9 mptt -99.26 -35.77 9.86 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.846 -0.208 . . . . 0.0 110.848 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.0 t -61.69 -42.03 92.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 110.767 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.469 ' NE2' ' HB2' ' A' ' 59' ' ' ASP . 1.0 OUTLIER -59.94 -42.56 94.26 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.037 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.17 -36.9 85.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.206 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.2 mt -60.38 -51.16 70.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.088 0.47 . . . . 0.0 110.689 177.043 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.71 -22.73 62.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.019 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.469 ' HB2' ' NE2' ' A' ' 55' ' ' GLN . 14.7 t70 -77.87 -41.07 37.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.614 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -59.18 -40.92 87.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.083 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -90.48 -7.95 51.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.854 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.9 t30 55.93 67.66 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.672 -176.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.8 pt -136.78 -168.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.298 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.415 ' HB2' ' OD2' ' A' ' 67' ' ' ASP . 53.5 m-80 -90.94 156.14 18.2 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 175.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.643 ' H ' ' HD2' ' A' ' 65' ' ' LYS . 9.1 mptt -68.02 -36.11 79.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.41 0.624 . . . . 0.0 109.334 -178.555 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.5 p -68.46 -19.3 64.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.79 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.415 ' OD2' ' HB2' ' A' ' 64' ' ' ASN . 5.1 m-20 -65.82 -30.49 71.13 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.991 0.424 . . . . 0.0 111.021 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.4 mt -93.39 -20.72 20.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.114 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 65' ' ' LYS . 41.5 mt -97.13 -50.5 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.633 -174.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -88.71 159.92 17.58 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -172.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.523 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 24.9 t0 -53.69 139.18 33.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.214 177.504 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -72.17 11.68 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -175.236 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -84.57 18.02 2.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.203 0.525 . . . . 0.0 110.349 175.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 71' ' ' ASP . 91.5 mt -64.57 84.34 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.18 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -82.01 -179.09 7.27 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.568 -1.197 . . . . 0.0 109.712 175.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 40.6 mm -88.73 119.97 36.76 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.993 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -110.99 84.1 1.87 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.051 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.0 t -179.02 149.55 0.43 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.462 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.448 ' HA ' ' HD2' ' A' ' 80' ' ' PRO . 40.3 t -117.54 88.09 27.93 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 174.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.448 ' HD2' ' HA ' ' A' ' 79' ' ' VAL . 10.5 Cg_endo -52.35 105.93 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 123.295 2.663 . . . . 0.0 112.835 -173.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.657 ' H ' HD11 ' A' ' 81' ' ' ILE . 4.2 mp -65.97 125.3 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.107 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.38 103.65 1.07 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.317 -176.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.9 m -85.73 171.93 11.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.874 -174.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -73.44 122.65 7.95 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.883 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -65.82 139.2 58.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.933 0.397 . . . . 0.0 110.506 176.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.6 p -60.76 138.22 58.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.779 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.95 134.59 57.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.05 0.452 . . . . 0.0 110.976 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.516 ' OE2' ' HA ' ' A' ' 91' ' ' HIS . 8.5 pt-20 -69.62 140.61 53.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.279 -178.57 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -88.89 -27.55 20.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.903 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -113.69 105.67 13.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.678 173.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . 0.516 ' HA ' ' OE2' ' A' ' 88' ' ' GLU . 11.0 t60 -72.77 -30.03 63.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.356 -177.224 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.62 150.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 174.551 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.4 t60 70.75 134.16 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 124.046 0.841 . . . . 0.0 110.933 -175.109 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 . . . . . 0 C--O 1.244 0.785 0 CA-C-O 118.507 -0.758 . . . . 0.0 109.562 174.564 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.1 t -87.28 99.23 8.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.319 0.58 . . . . 0.0 111.353 -175.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -138.38 152.15 48.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.017 173.153 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.829 ' HB2' ' HG2' ' A' ' 7' ' ' LYS . 20.1 m-20 -61.32 137.48 58.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.494 ' HZ2' ' HB3' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -64.96 -24.98 67.68 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 177.073 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -67.88 -32.92 73.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.223 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.829 ' HG2' ' HB2' ' A' ' 4' ' ' ASP . 45.7 mmtm -61.97 -46.01 91.15 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.16 -42.73 88.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.279 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.2 mt -63.74 -51.29 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -57.97 -49.94 75.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.216 -178.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.2 p -65.29 -46.33 80.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.715 -175.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -67.07 -36.37 81.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.92 0.391 . . . . 0.0 110.554 -178.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -62.35 -52.29 64.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.678 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' O ' HG13 ' A' ' 18' ' ' ILE . 65.3 tp -61.15 -45.01 96.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.009 178.16 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -56.36 -37.43 70.04 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.655 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.452 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 49.2 m -62.22 -40.55 96.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.12 177.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.41 ' HH ' ' HB3' ' A' ' 67' ' ' ASP . 58.2 m-85 -66.93 -45.55 77.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.645 0.26 . . . . 0.0 110.718 178.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 14' ' ' LEU . 63.9 mt -55.49 -51.41 57.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.282 -177.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.25 -26.75 62.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.02 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 16' ' ' SER . 25.4 mttp -93.67 -0.87 55.87 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -175.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.6 m -98.6 -5.33 32.13 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.788 173.606 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 52.79 47.19 25.22 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.944 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -130.89 145.59 52.06 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.7 p -84.33 160.48 20.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.993 0.425 . . . . 0.0 111.422 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -58.59 -38.47 78.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.452 0.644 . . . . 0.0 109.606 175.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -60.93 -48.81 80.09 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.418 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -61.59 -35.38 77.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 0.0 111.787 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.0 mt -74.28 -47.55 40.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.784 0.326 . . . . 0.0 110.724 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.67 -30.75 70.93 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.039 0.447 . . . . 0.0 110.754 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.12 -42.09 76.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.515 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.7 t -77.41 -32.6 54.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.994 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.442 HD12 HD22 ' A' ' 57' ' ' LEU . 62.1 mt -74.39 -44.89 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -177.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.04 39.91 2.39 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.688 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 19.7 m -133.44 159.75 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.543 0.211 . . . . 0.0 110.693 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.2 m -77.47 145.42 71.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.583 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.1 -33.29 97.2 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 123.114 2.542 . . . . 0.0 113.259 -177.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -66.48 -31.58 72.41 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.023 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.3 m -78.61 -30.0 46.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.637 0.732 . . . . 0.0 109.692 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -71.23 -35.15 71.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.934 175.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -63.32 -36.83 84.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.991 -177.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -32.36 73.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.615 0.245 . . . . 0.0 111.421 177.917 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.548 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 27.1 m0 -74.99 -43.93 51.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.429 0.633 . . . . 0.0 109.683 176.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.9 t -67.23 -28.41 68.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.18 -177.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.579 ' HD3' HD13 ' A' ' 46' ' ' ILE . 32.1 tttp -85.17 -2.61 58.21 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.233 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.2 31.23 64.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 113.121 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.579 HD13 ' HD3' ' A' ' 44' ' ' LYS . 61.6 mt -89.61 -37.18 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.941 0.401 . . . . 0.0 110.765 -179.242 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.5 163.16 40.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.929 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.3 mt -111.95 134.64 21.34 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.655 176.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.548 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 60.5 Cg_endo -69.95 173.72 10.73 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.507 2.138 . . . . 0.0 112.086 178.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.409 ' O ' HG23 ' A' ' 54' ' ' VAL . 57.2 ttt180 -70.19 159.29 34.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.139 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 54.1 tpp -51.18 -45.83 61.92 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -172.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.11 -39.21 96.81 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.598 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -73.48 -29.36 62.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.659 0.266 . . . . 0.0 111.095 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 50' ' ' ARG . 93.9 t -65.69 -41.2 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.225 0.536 . . . . 0.0 109.645 173.197 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -63.2 -35.02 78.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.891 176.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.81 -35.91 82.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 110.732 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.442 HD22 HD12 ' A' ' 32' ' ' ILE . 77.7 mt -64.61 -51.96 59.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.396 176.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.99 82.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.821 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.76 -45.98 92.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.019 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -67.33 -31.13 71.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.183 -175.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -89.68 -5.0 57.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.919 0.39 . . . . 0.0 110.667 176.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.5 t30 59.18 52.34 6.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.672 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.7 pt -135.77 -171.49 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.124 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -102.35 159.84 15.06 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 176.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -65.9 -28.78 69.19 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -59.17 -25.65 64.1 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.288 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.41 ' HB3' ' HH ' ' A' ' 17' ' ' TYR . 25.5 m-20 -76.1 -24.63 55.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.404 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.7 mt -94.49 -43.4 8.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.338 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.5 mm -70.21 -47.21 68.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.258 -175.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -81.65 157.37 24.68 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 121.03 0.443 . . . . 0.0 110.362 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.407 ' OD2' ' HG ' ' A' ' 74' ' ' LEU . 13.4 t0 -94.81 132.8 39.2 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.583 -178.291 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -92.04 -5.46 52.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.805 -178.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -86.06 4.1 39.58 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 122.312 1.053 . . . . 0.0 109.009 173.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.407 ' HG ' ' OD2' ' A' ' 71' ' ' ASP . 81.7 mt -93.4 80.55 4.38 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.158 172.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.86 110.38 2.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.611 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.79 133.6 21.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.53 -176.201 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -121.41 111.54 17.43 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -174.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.629 ' O ' ' HD3' ' A' ' 80' ' ' PRO . 13.5 t -51.43 160.35 0.6 Allowed 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.497 177.066 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.7 p -104.01 88.32 1.91 Allowed Pre-proline 0 C--N 1.321 -0.631 0 CA-C-O 121.751 0.786 . . . . 0.0 109.667 175.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.629 ' HD3' ' O ' ' A' ' 78' ' ' THR . 16.4 Cg_exo -67.03 163.81 32.48 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.9 2.4 . . . . 0.0 112.592 -172.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.4 tt -63.33 140.32 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.197 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.669 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -93.4 165.64 12.68 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.904 -176.449 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.7 t -113.04 114.91 27.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.5 -175.224 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.25 -85.75 0.41 Allowed Glycine 0 C--N 1.331 0.283 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . 0.441 ' HA ' ' OE1' ' A' ' 82' ' ' GLU . 23.2 p90 -148.52 110.41 4.54 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 171.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.669 ' HB ' ' HB2' ' A' ' 82' ' ' GLU . 15.2 m -129.96 138.16 50.7 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.275 -177.661 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 98.5 mt -76.64 87.59 3.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.112 0.482 . . . . 0.0 111.104 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.88 -164.04 0.98 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 172.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -130.33 112.89 13.73 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.633 -173.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -90.83 116.3 28.55 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -132.29 97.98 4.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.911 0.386 . . . . 0.0 110.072 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -88.35 144.68 26.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.773 -176.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -82.95 29.33 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.347 0.594 . . . . 0.0 111.125 -177.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.7 t60 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.745 178.033 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.2 mtp . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.0 m -114.99 12.67 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.681 0.277 . . . . 0.0 111.294 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -73.97 -49.25 25.39 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.885 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.83 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 23.7 m-20 62.98 112.06 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 O-C-N 123.986 0.804 . . . . 0.0 111.239 -175.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.558 ' O ' HG13 ' A' ' 9' ' ' ILE . 52.0 tttm -59.06 -27.81 65.88 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 175.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.53 ' HA ' HD11 ' A' ' 9' ' ' ILE . 6.6 tp-100 -55.79 -35.73 66.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.55 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.83 ' HE3' ' HB2' ' A' ' 4' ' ' ASP . 5.3 mtmt -66.65 -35.65 80.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.021 0.438 . . . . 0.0 110.756 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.02 -34.05 59.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.543 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 5' ' ' LYS . 77.9 mt -60.4 -50.84 78.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.213 177.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -53.91 -45.11 71.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.235 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.4 t -61.23 -52.55 64.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.889 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.19 -53.32 59.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.497 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -64.42 -44.16 92.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.581 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.553 ' O ' HG13 ' A' ' 18' ' ' ILE . 42.3 tp -61.24 -47.84 84.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.532 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -57.98 -35.81 71.72 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.812 -178.155 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 m -61.42 -42.24 98.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -77.62 -37.19 50.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.124 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.553 HG13 ' O ' ' A' ' 14' ' ' LEU . 79.7 mt -57.71 -50.05 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.768 0.318 . . . . 0.0 110.902 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.08 -34.24 77.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.501 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -79.08 -26.39 43.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.732 -178.104 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.7 t -78.64 -33.26 47.35 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 173.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 65.07 28.45 12.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.275 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -96.65 145.25 25.94 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 167.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.2 p -71.53 156.53 39.32 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.594 -174.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -57.82 -35.52 70.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.288 0.566 . . . . 0.0 109.843 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.0 mt -61.35 -49.87 75.21 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.739 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -61.04 -43.19 99.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.746 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.511 ' O ' HG12 ' A' ' 32' ' ' ILE . 63.9 mt -64.68 -47.09 90.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.715 178.763 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.17 87.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.771 0.319 . . . . 0.0 110.685 178.421 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -58.81 -42.08 88.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.635 175.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -67.82 -40.71 83.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.808 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.511 HG12 ' O ' ' A' ' 28' ' ' ILE . 46.2 mm -69.3 -43.14 81.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.124 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.89 26.19 4.81 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.231 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.5 m -129.58 164.48 32.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.683 0.278 . . . . 0.0 110.558 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.3 m -71.88 144.15 87.62 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.269 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.77 -30.45 92.05 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 123.068 2.512 . . . . 0.0 112.505 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.469 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 44.2 mt-30 -75.2 -22.91 57.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.813 0.339 . . . . 0.0 111.32 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 m -77.61 -37.0 51.18 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -62.51 -35.09 78.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.707 173.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . 0.469 ' HB3' ' O ' ' A' ' 37' ' ' GLN . 2.8 t30 -54.07 -48.28 70.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.898 178.392 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 p -67.56 -24.22 65.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.725 0.298 . . . . 0.0 111.673 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.522 ' CE2' ' HB3' ' A' ' 49' ' ' PRO . 49.3 m0 -79.85 -47.79 14.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.28 0.562 . . . . 0.0 110.036 177.456 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 46.6 t -64.15 -29.11 70.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.054 -177.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -80.46 -8.19 59.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.586 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.22 37.25 80.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.962 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.6 mt -89.07 -39.32 12.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.53 147.41 27.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.199 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.6 mt -100.22 127.14 34.01 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.276 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.522 ' HB3' ' CE2' ' A' ' 42' ' ' TRP . 56.9 Cg_endo -68.64 174.46 8.46 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 123.017 2.478 . . . . 0.0 112.632 -178.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -75.91 153.52 36.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.855 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -50.95 -30.5 15.06 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.15 -47.53 60.75 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 121.439 -0.41 . . . . 0.0 113.184 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -89.35 -23.49 22.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.881 0.341 . . . . 0.0 111.191 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 98.5 t -62.79 -44.36 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.025 0.44 . . . . 0.0 110.192 176.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.453 ' OE1' ' HE2' ' A' ' 65' ' ' LYS . 51.7 tp60 -65.18 -32.59 74.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.0 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.53 -43.16 90.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.668 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.4 mt -59.17 -51.06 71.62 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.591 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.37 94.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.211 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -68.85 -36.49 78.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -61.17 -38.98 88.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.839 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -90.4 3.53 53.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.777 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 54.18 48.23 21.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.387 -177.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.3 pt -122.93 -172.24 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.234 176.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -101.65 160.33 14.55 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.622 ' O ' HG13 ' A' ' 69' ' ' ILE . 20.0 ptpt -58.31 -30.81 66.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.242 0.544 . . . . 0.0 109.598 177.381 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 m -60.26 -29.28 68.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.355 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.61 -28.95 70.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.137 0.494 . . . . 0.0 110.77 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.9 mt -95.14 -20.86 18.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.404 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.622 HG13 ' O ' ' A' ' 65' ' ' LYS . 24.6 mt -97.09 -38.15 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -174.198 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.26 157.32 26.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.257 0.551 . . . . 0.0 110.745 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -83.39 158.18 22.23 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.184 -175.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.06 8.9 9.52 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -174.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -84.2 42.01 0.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 122.184 0.992 . . . . 0.0 109.751 176.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.9 mt -80.23 81.49 6.48 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.003 -177.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -116.5 136.38 53.03 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 171.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.5 mt -59.81 121.83 8.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.567 0.698 . . . . 0.0 111.314 -175.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.443 ' O ' HG21 ' A' ' 79' ' ' VAL . 13.2 t70 -152.19 114.41 4.48 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.9 m -46.61 108.09 0.13 Allowed 'General case' 0 C--N 1.318 -0.79 0 O-C-N 124.34 1.025 . . . . 0.0 113.536 -169.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.443 HG21 ' O ' ' A' ' 77' ' ' ASP . 60.8 t -136.53 87.58 21.19 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 114.352 -1.294 . . . . 0.0 107.764 173.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -38.71 86.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 124.838 3.692 . . . . 0.0 115.345 -169.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 27.8 mm -152.53 146.13 15.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -76.48 91.05 3.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.131 0.491 . . . . 0.0 110.399 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.3 p -101.61 105.64 16.6 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.166 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.8 56.8 5.06 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 121.215 -0.516 . . . . 0.0 112.817 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -161.5 117.67 2.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.237 0.542 . . . . 0.0 110.308 176.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.3 m -103.36 113.59 27.21 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.151 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -83.67 -52.77 6.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.896 176.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 89' ' ' HIS . 24.9 tt0 69.73 154.42 0.12 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.038 0.837 . . . . 0.0 111.351 178.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.425 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 43.3 t-80 74.06 112.7 0.07 Allowed 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.758 172.692 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -79.7 -71.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.388 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 -160.3 -98.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.731 -0.387 . . . . 0.0 111.018 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.423 ' HB3' ' H ' ' A' ' 93' ' ' HIS . 5.8 m80 -173.47 -160.54 0.12 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -174.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.423 ' H ' ' HB3' ' A' ' 92' ' ' HIS . 0.9 OUTLIER -106.95 -175.14 2.71 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 172.057 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.448 -178.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.642 0.258 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 52.3 t -78.62 -68.77 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 110.712 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -100.25 74.55 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.968 0.89 . . . . 0.0 110.706 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.7 24.7 11.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.065 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.727 ' HB2' ' HZ1' ' A' ' 5' ' ' LYS . 4.7 ttmp? -60.73 -24.77 65.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.479 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -59.5 -34.9 73.17 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.422 176.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.594 ' HG2' HG13 ' A' ' 48' ' ' ILE . 64.5 mttp -71.13 -29.05 64.76 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.316 -178.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.91 -39.84 75.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.049 0.452 . . . . 0.0 110.079 177.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.7 mt -67.06 -44.44 88.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.896 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.559 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 89.5 t80 -55.34 -53.71 52.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.136 178.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 p -65.14 -46.15 82.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.753 -176.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -60.22 -42.31 94.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.632 0.253 . . . . 0.0 111.064 -177.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -63.86 -43.49 95.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.455 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.419 ' O ' HG13 ' A' ' 18' ' ' ILE . 31.2 tp -59.74 -51.37 70.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.585 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -55.98 -45.18 79.03 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.911 0.386 . . . . 0.0 111.303 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.8 m -60.15 -42.09 94.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.982 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -74.44 -38.79 62.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.83 0.348 . . . . 0.0 111.073 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.484 HG21 ' HG2' ' A' ' 25' ' ' GLN . 80.6 mt -67.89 -47.27 79.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.238 -178.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.09 -25.08 65.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.787 0.327 . . . . 0.0 111.366 -177.125 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -81.42 -20.98 39.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.195 0.522 . . . . 0.0 110.396 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.9 t -82.15 160.49 23.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.298 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.6 -34.59 58.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.365 -178.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -76.52 150.19 36.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.513 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.0 p -88.88 171.93 9.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.292 0.568 . . . . 0.0 111.731 -176.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.484 ' HG2' HG21 ' A' ' 18' ' ' ILE . 53.3 mt-30 -54.79 -37.1 65.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.298 173.874 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.87 -38.75 83.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.529 -178.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.79 -49.55 70.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.783 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.453 ' O ' HG13 ' A' ' 32' ' ' ILE . 62.5 mt -62.49 -44.03 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 -178.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.72 93.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.878 0.37 . . . . 0.0 111.061 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -68.27 -38.39 81.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.744 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.7 t -61.22 -43.08 99.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.271 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 28' ' ' ILE . 64.5 mt -69.56 -44.69 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.309 177.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.95 31.32 2.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.304 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.434 ' CG1' ' HD3' ' A' ' 53' ' ' LYS . 34.7 m -119.81 157.05 22.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.771 0.319 . . . . 0.0 110.544 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.6 m -69.44 144.31 94.3 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.773 176.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.87 -26.39 67.27 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.128 1.886 . . . . 0.0 111.903 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -64.54 -44.2 91.59 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 121.001 0.429 . . . . 0.0 110.676 175.509 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 m -69.03 -42.94 75.69 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.576 0.703 . . . . 0.0 109.269 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.92 -38.68 83.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.969 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -65.16 -45.01 86.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.904 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.406 HG23 HD11 ' A' ' 46' ' ' ILE . 26.5 p -64.22 -25.8 68.23 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.438 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.429 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 50.5 m0 -75.75 -45.98 33.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.203 0.525 . . . . 0.0 109.812 174.488 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 t -71.21 -18.78 62.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.037 -176.138 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -91.6 -3.99 55.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.313 176.136 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.26 29.08 66.89 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.563 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.406 HD11 HG23 ' A' ' 41' ' ' THR . 67.2 mt -84.52 -40.69 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.035 0.445 . . . . 0.0 110.361 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.68 154.95 38.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.18 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.594 HG13 ' HG2' ' A' ' 7' ' ' LYS . 73.3 mt -114.85 129.84 24.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.365 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.429 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 40.7 Cg_endo -65.57 -170.42 0.17 Allowed 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.066 2.51 . . . . 0.0 112.802 -178.557 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.581 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 3.6 mmp_? -87.64 162.45 17.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.201 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.6 ptp -53.57 -34.42 58.27 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.545 0.528 . . . . 0.0 112.183 -171.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.81 -40.64 98.63 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.489 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.434 ' HD3' ' CG1' ' A' ' 34' ' ' VAL . 14.8 ttmt -84.39 -29.35 26.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.775 0.321 . . . . 0.0 110.225 -177.769 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.404 ' HA ' HD12 ' A' ' 57' ' ' LEU . 90.5 t -63.78 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 171.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.88 -37.58 87.48 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.153 175.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.59 87.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.751 0.31 . . . . 0.0 111.04 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 54' ' ' VAL . 81.5 mt -62.8 -51.54 66.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.378 176.408 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.8 74.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.786 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.88 -42.17 97.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.743 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -64.28 -38.06 89.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.961 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.48 ' HB2' HG12 ' A' ' 63' ' ' ILE . 90.7 m-85 -92.65 -4.28 53.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.7 t30 61.91 27.5 16.72 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.559 0.695 . . . . 0.0 110.789 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.48 HG12 ' HB2' ' A' ' 61' ' ' PHE . 35.0 pt -107.93 -171.67 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.667 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -95.71 152.94 18.01 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -62.91 -29.08 70.5 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.098 0.475 . . . . 0.0 109.981 176.032 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.3 p -68.03 -24.85 65.15 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.142 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.92 -24.62 67.08 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.841 0.353 . . . . 0.0 111.173 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.559 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 91.1 mt -93.63 -20.91 19.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.898 0.38 . . . . 0.0 111.031 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.8 mm -101.02 -43.23 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -172.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -73.93 162.27 29.24 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -170.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.436 ' CG ' ' H ' ' A' ' 72' ' ' LYS . 27.9 t0 -95.27 -178.33 4.42 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.175 -176.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.572 ' HZ3' ' HB2' ' A' ' 72' ' ' LYS . 4.2 ttmp? 74.8 6.85 4.39 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.63 0.772 . . . . 0.0 110.75 178.161 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.631 ' HB3' ' HZ3' ' A' ' 73' ' ' LYS . 9.4 mtpm? -98.56 16.97 20.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.189 0.519 . . . . 0.0 110.877 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.37 78.68 8.99 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.574 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -102.87 129.32 49.52 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 176.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.1 mm -77.7 123.52 34.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.483 0.659 . . . . 0.0 111.609 -173.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -142.4 11.25 1.91 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.849 -1.069 . . . . 0.0 108.923 173.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.562 ' O ' ' HD3' ' A' ' 80' ' ' PRO . 17.2 p -115.82 -166.4 1.13 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.439 -177.271 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 44.0 t -106.8 89.12 4.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.081 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . 0.562 ' HD3' ' O ' ' A' ' 78' ' ' THR . 3.3 Cg_exo -72.18 108.66 2.53 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.718 2.278 . . . . 0.0 112.209 -176.025 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 46.2 mm -77.93 150.42 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 176.17 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -52.33 117.39 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.449 0.642 . . . . 0.0 111.274 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.7 m -152.22 160.91 43.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.565 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -135.76 179.83 17.38 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.095 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -145.75 172.39 13.38 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.9 m -140.96 20.51 2.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.863 0.84 . . . . 0.0 109.8 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.413 HD21 ' HA ' ' A' ' 87' ' ' LEU . 1.8 tm? -80.42 101.47 9.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.374 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.71 -33.17 20.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.033 -178.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 58.35 62.88 1.86 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.511 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -62.75 113.0 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.625 174.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -69.94 130.0 41.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.067 0.46 . . . . 0.0 110.887 -177.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -137.06 119.44 15.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.28 177.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -92.61 155.87 17.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.062 -178.337 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 . . . . . 0 C--O 1.245 0.834 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.45 -178.052 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ppp? . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 120.842 0.353 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p -85.61 -28.05 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 120.685 0.278 . . . . 0.0 111.009 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? 58.97 78.97 0.24 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.448 -175.149 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 72.48 107.98 0.07 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.388 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -56.94 -29.76 63.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.488 176.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -56.64 -37.08 70.26 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.062 0.458 . . . . 0.0 110.288 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.525 ' HZ2' ' HB2' ' A' ' 7' ' ' LYS . 4.9 ttmp? -64.32 -45.13 89.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.37 178.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.29 -45.04 64.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.453 -177.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.0 mt -63.68 -46.28 95.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.892 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -59.06 -45.12 91.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.955 0.407 . . . . 0.0 110.225 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.524 ' HB2' ' HA3' ' A' ' 45' ' ' GLY . 45.6 t -60.43 -53.75 53.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.942 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.83 -46.13 90.84 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.229 -176.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -62.5 -57.33 11.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.758 -176.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 61.9 tp -61.38 -39.26 90.02 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.948 -177.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.524 ' HB2' ' O ' ' A' ' 11' ' ' SER . 6.5 t-20 -58.19 -35.87 72.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.512 -179.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -66.4 -42.4 87.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.443 -177.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -65.35 -42.03 93.28 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.055 0.455 . . . . 0.0 109.921 179.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.7 mt -67.25 -39.5 83.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.194 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.86 -29.54 67.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.003 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -81.64 -33.9 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.955 0.407 . . . . 0.0 110.47 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.8 m -66.8 145.08 55.88 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.234 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -75.95 -24.16 55.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.095 0.474 . . . . 0.0 110.219 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -77.12 134.31 38.75 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.638 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.4 p -82.19 177.27 8.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.774 -174.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -55.32 -37.4 67.35 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.468 174.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.45 -50.34 63.68 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.71 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -64.27 -37.21 86.68 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.818 -175.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.19 -49.41 67.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.719 0.295 . . . . 0.0 110.316 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.59 80.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -57.29 -39.16 75.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.454 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.4 t -79.33 -25.16 42.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.963 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.3 mt -82.44 -44.75 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 110.656 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.81 4.12 15.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.3 m -100.18 156.14 4.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.4 m -69.74 149.01 96.76 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.794 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.92 -35.55 80.52 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.785 2.323 . . . . 0.0 112.257 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -66.22 -31.28 72.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.415 178.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.8 m -72.54 -44.91 61.5 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -65.87 -34.63 78.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.243 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -58.06 -43.82 87.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.971 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.4 p -63.8 -31.2 72.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.73 0.3 . . . . 0.0 111.296 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -74.1 -43.72 56.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.064 0.459 . . . . 0.0 110.203 177.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . 0.516 ' HG ' ' ND2' ' A' ' 15' ' ' ASN . 49.2 t -67.67 -36.43 80.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.591 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.531 ' HB3' HG13 ' A' ' 46' ' ' ILE . 3.9 tmtm? -75.25 -11.99 60.19 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 176.196 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.524 ' HA3' ' HB2' ' A' ' 11' ' ' SER . . . 69.78 38.93 76.82 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.63 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.531 HG13 ' HB3' ' A' ' 44' ' ' LYS . 80.5 mt -84.68 -42.15 16.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.089 0.471 . . . . 0.0 110.227 178.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.16 153.81 36.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.644 -178.286 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 98.7 mt -103.27 127.29 30.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.722 176.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -68.23 179.18 3.05 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.443 2.762 . . . . 0.0 113.01 -177.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 30.1 mmt180 -79.39 161.47 26.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.28 178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.4 ptp -53.7 -33.61 56.05 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.59 0.556 . . . . 0.0 112.085 -175.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.31 -37.07 94.27 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.754 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -89.21 -27.22 20.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.727 -0.278 . . . . 0.0 110.947 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.64 -40.36 88.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 172.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -60.31 -38.88 85.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.262 175.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.81 94.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.077 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.28 -49.4 77.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.394 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.15 -32.82 74.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.157 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -72.72 -41.4 65.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.656 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -59.95 -44.94 94.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.184 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -87.38 -9.55 54.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.257 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.8 t30 59.14 57.61 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.768 0.794 . . . . 0.0 110.233 -176.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.5 pt -133.64 178.23 5.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.914 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -96.3 168.87 10.31 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -64.85 -32.23 73.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.243 0.544 . . . . 0.0 110.128 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.5 m -73.89 -20.98 60.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.51 -177.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.73 -23.98 67.42 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.729 0.299 . . . . 0.0 111.332 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -94.06 -19.9 20.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.255 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 66.9 mt -95.84 -29.34 3.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -171.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -68.39 144.3 54.79 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.67 0.747 . . . . 0.0 112.472 -174.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -102.65 156.01 17.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.425 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.553 ' HD2' ' N ' ' A' ' 72' ' ' LYS . 1.7 mptp? -86.9 8.48 22.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.891 0.377 . . . . 0.0 111.27 -171.14 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -91.93 11.17 25.91 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.514 0.673 . . . . 0.0 110.064 174.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.0 mt -75.32 78.48 2.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.085 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -104.16 -165.14 1.12 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.467 -0.788 . . . . 0.0 108.929 174.477 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.66 ' H ' HD11 ' A' ' 76' ' ' ILE . 3.7 mp -70.45 114.35 8.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.311 0.577 . . . . 0.0 109.577 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -159.43 104.34 1.63 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.206 -177.156 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.1 t -82.69 130.09 35.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.37 0.605 . . . . 0.0 111.294 -174.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.4 t -119.11 86.46 32.18 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 173.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -70.71 86.96 0.69 Allowed 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.71 2.273 . . . . 0.0 113.276 -172.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 44.9 mm -77.71 122.52 32.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 174.143 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -77.2 116.59 17.95 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.176 -174.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.4 m -101.7 111.29 23.49 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.18 -177.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.49 151.5 41.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.691 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -96.12 111.11 23.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' THR . . . . . 0.591 HG23 ' H ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -135.16 -174.97 3.77 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.175 -176.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.591 ' H ' HG23 ' A' ' 86' ' ' THR . 8.9 mp 74.22 131.47 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.563 0.745 . . . . 0.0 111.938 176.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -88.57 115.86 26.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.055 177.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -139.97 130.94 26.17 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -131.49 152.46 50.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.925 -175.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -64.01 144.41 57.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.715 174.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -152.24 151.33 30.82 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.658 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -82.92 145.94 29.11 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.365 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.337 -0.839 . . . . 0.0 109.443 178.416 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.476 ' O ' HG13 ' A' ' 9' ' ' ILE . 50.1 tptt . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.366 0.127 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -59.68 -49.32 78.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.664 -0.243 . . . . 0.0 110.847 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.979 ' HG2' HG13 ' A' ' 48' ' ' ILE . 33.1 mtmm -63.26 -30.16 71.35 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.167 -0.213 . . . . 0.0 111.35 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.26 -31.12 65.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.881 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 5' ' ' LYS . 86.4 mt -76.3 -49.24 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.765 0.317 . . . . 0.0 110.194 176.605 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -53.53 -49.11 68.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.931 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.1 p -65.56 -42.36 91.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.758 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -55.95 -48.71 75.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.402 . . . . 0.0 110.673 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -67.91 -48.0 67.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.228 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.01 -48.21 82.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.761 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -58.48 -32.37 68.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.385 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.445 ' O ' ' HD2' ' A' ' 20' ' ' LYS . 38.4 m -59.18 -48.58 81.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.755 0.312 . . . . 0.0 110.41 177.579 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -69.43 -40.37 77.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.037 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.15 -47.05 94.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.52 -7.22 50.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.612 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HD2' ' O ' ' A' ' 16' ' ' SER . 0.6 OUTLIER -90.38 -11.59 40.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.11 0.481 . . . . 0.0 110.067 175.301 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.9 t -99.76 159.11 15.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.751 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -100.94 4.39 42.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.862 0.363 . . . . 0.0 110.456 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -87.95 134.3 33.75 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.617 173.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.7 p -71.99 165.27 24.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.169 0.509 . . . . 0.0 111.794 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -56.52 -36.66 69.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.142 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.14 -29.26 68.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.704 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -70.59 -52.85 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.807 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.3 mt -63.68 -36.9 78.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.978 -176.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.85 -40.89 73.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.045 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -70.48 -38.47 74.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.87 0.367 . . . . 0.0 110.764 -177.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -65.36 -38.14 89.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.818 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.1 mm -72.56 -44.58 60.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.243 178.152 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.83 37.43 1.55 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.056 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.3 m -130.89 176.43 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.75 0.31 . . . . 0.0 110.452 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.3 m -94.04 152.53 40.51 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.18 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.24 -35.37 95.51 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.901 2.401 . . . . 0.0 112.741 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -67.01 -31.2 71.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.209 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.8 m -72.66 -39.1 67.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.359 0.6 . . . . 0.0 109.564 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -71.23 -34.78 71.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.174 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -59.46 -42.75 92.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.77 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.3 p -70.71 -27.63 64.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.596 0.236 . . . . 0.0 111.178 -177.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.532 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 50.1 m0 -69.72 -45.0 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.114 0.483 . . . . 0.0 109.858 175.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.9 t -67.59 -27.28 66.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.894 -177.399 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -88.72 -0.07 56.96 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.334 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.06 34.4 89.82 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 121.247 -0.501 . . . . 0.0 113.143 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.1 mt -89.52 -33.63 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.018 0.437 . . . . 0.0 110.354 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.55 151.24 33.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -177.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.979 HG13 ' HG2' ' A' ' 7' ' ' LYS . 71.0 mt -107.73 126.99 28.6 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.86 174.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.532 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 29.2 Cg_endo -62.15 166.42 12.72 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 123.111 2.541 . . . . 0.0 112.146 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -75.61 170.13 16.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.173 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 58.2 ttp -53.68 -39.13 64.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.853 -174.493 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.9 -29.81 71.52 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.833 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.512 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 50.6 mttp -94.38 -33.89 12.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.836 -0.214 . . . . 0.0 111.457 -178.473 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.6 t -62.41 -44.12 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.225 0.536 . . . . 0.0 109.818 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -64.13 -38.31 90.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.385 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.71 -41.27 98.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.883 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 53' ' ' LYS . 97.3 mt -60.58 -52.03 66.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.53 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.64 88.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.237 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -65.96 -35.7 81.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.874 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -74.71 -34.53 62.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.244 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -86.23 -5.52 59.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.91 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 59.62 55.53 4.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.57 0.7 . . . . 0.0 109.846 -174.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.6 pt -138.2 175.99 7.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.758 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -93.61 147.49 22.96 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -61.37 -29.95 70.23 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.041 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.7 m -59.7 -28.08 67.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.379 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -68.94 -24.42 64.27 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.835 0.35 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.3 mt -93.62 -23.67 18.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.335 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.4 mm . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.641 -175.308 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.448 ' O ' HG13 ' A' ' 9' ' ' ILE . 22.6 tptm . . . . . 0 N--CA 1.46 0.069 0 CA-C-O 120.457 0.17 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.8 -44.31 81.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.248 0.547 . . . . 0.0 110.42 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -61.9 -40.94 97.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.791 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.79 -47.61 74.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.003 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 5' ' ' LYS . 68.2 mt -60.35 -49.11 85.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.839 0.352 . . . . 0.0 110.94 -179.009 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.11 -48.6 81.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.132 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.424 ' HB3' ' CA ' ' A' ' 45' ' ' GLY . 19.9 p -65.76 -42.1 91.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.261 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -57.21 -45.88 83.43 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 120.537 0.208 . . . . 0.0 111.373 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.08 -57.8 6.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.567 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.0 tp -55.21 -46.02 75.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.189 -175.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -42.37 97.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.711 -176.284 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -65.9 -35.54 80.92 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -70.91 -48.95 50.86 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.115 0.483 . . . . 0.0 109.924 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.71 -47.17 92.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.273 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.42 -10.18 59.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.847 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -73.39 -34.38 65.5 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.0 t -82.08 169.39 16.73 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.741 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -100.87 18.46 19.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.218 0.532 . . . . 0.0 110.801 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -89.75 159.16 17.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.582 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.8 p -95.74 153.99 17.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.661 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -40.93 82.68 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.381 0.61 . . . . 0.0 109.587 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.717 HD22 ' HE3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -56.57 -46.09 80.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.754 -1.112 . . . . 0.0 111.385 -179.384 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.96 -44.8 91.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.035 0.445 . . . . 0.0 110.845 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.8 mt -67.42 -38.66 81.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.05 93.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.87 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.717 ' HE3' HD22 ' A' ' 26' ' ' LEU . 99.8 mttt -60.77 -35.35 76.19 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.984 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.7 m -69.18 -31.46 70.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.957 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.1 mm -84.36 -44.7 17.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.482 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.85 -12.23 7.76 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.945 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.1 m -88.78 167.06 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.1 0.476 . . . . 0.0 111.121 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.3 m -92.16 149.28 38.35 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.989 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -52.48 -27.97 34.11 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.9 2.4 . . . . 0.0 112.704 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -56.77 -48.07 78.7 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.193 0.521 . . . . 0.0 110.73 173.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 m -70.69 -40.77 72.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.087 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -61.95 -34.92 76.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.264 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -61.66 -42.18 98.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.49 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.4 p -67.55 -22.18 65.42 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.174 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.476 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 51.6 m0 -79.39 -45.2 20.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.172 0.51 . . . . 0.0 109.848 175.302 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.3 t -67.06 -35.91 80.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.261 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -85.92 1.16 51.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.419 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.424 ' CA ' ' HB3' ' A' ' 11' ' ' SER . . . 60.86 48.61 85.38 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.013 179.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.8 mt -104.04 -38.85 5.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.231 0.539 . . . . 0.0 110.043 178.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.79 156.37 48.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.303 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.8 mt -123.93 128.71 25.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.351 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.476 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 74.2 Cg_endo -72.61 159.26 49.22 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 123.227 2.618 . . . . 0.0 112.357 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.428 ' O ' HG23 ' A' ' 54' ' ' VAL . 92.7 mtt180 -96.26 179.5 5.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.993 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 96.9 mmm -50.82 -41.15 57.19 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.701 0.626 . . . . 0.0 112.622 -171.209 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.29 -34.52 48.16 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.447 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -101.01 -27.15 13.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.1 0.45 . . . . 0.0 111.051 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 50' ' ' ARG . 80.5 t -62.47 -39.36 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.548 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -62.98 -32.27 73.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.276 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.1 -43.99 66.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.848 0.356 . . . . 0.0 110.485 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.21 -45.82 86.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.804 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.29 -28.6 69.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.445 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -78.69 -38.2 39.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.96 0.409 . . . . 0.0 110.468 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -62.94 -36.13 82.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.719 -176.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -101.99 -7.42 22.38 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.532 177.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 51.93 71.27 0.47 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.786 0.803 . . . . 0.0 110.919 -173.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.4 pt -137.16 -179.85 3.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.058 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -95.15 155.39 16.75 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.42 ' O ' HG13 ' A' ' 69' ' ' ILE . 60.1 pttt -60.24 -32.77 71.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.92 0.391 . . . . 0.0 110.287 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.0 m -66.73 -26.56 67.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.626 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -62.05 -25.62 67.79 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.956 0.408 . . . . 0.0 111.418 -177.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.8 mt -94.67 -20.47 19.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.268 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 65' ' ' LYS . 63.9 mt . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -170.509 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 121.166 0.508 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -66.89 -31.9 72.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.936 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HA ' HD11 ' A' ' 48' ' ' ILE . 35.7 ttpt -71.08 -40.48 71.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.694 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.9 92.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.804 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.5 mt -68.3 -49.63 64.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.209 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.546 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 80.7 t80 -56.45 -47.37 79.27 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.913 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.1 t -62.21 -49.43 75.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.677 -178.043 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -65.12 -38.61 91.23 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.865 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.437 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 62.3 m-20 -58.16 -52.98 63.29 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.66 177.527 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 18' ' ' ILE . 64.6 tp -64.31 -48.22 76.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.871 -179.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -63.49 -33.84 76.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.346 -174.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.9 m -64.72 -39.44 93.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.626 0.25 . . . . 0.0 111.032 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -68.71 -35.75 77.57 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 14' ' ' LEU . 65.3 mt -65.81 -45.35 91.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.1 0.476 . . . . 0.0 110.453 177.602 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.63 -31.89 71.36 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.283 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -76.32 -33.96 59.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.194 0.521 . . . . 0.0 110.31 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.0 t -72.29 164.91 25.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.399 176.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -82.31 -31.73 29.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.193 0.52 . . . . 0.0 110.313 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.479 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -70.29 148.33 48.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.355 -173.9 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.464 ' OG1' ' HG2' ' A' ' 27' ' ' GLU . 51.5 p -89.21 165.99 14.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.262 -176.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -53.19 -40.61 64.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.429 174.312 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -42.94 77.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.836 -1.074 . . . . 0.0 110.753 -176.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' HG2' ' OG1' ' A' ' 24' ' ' THR . 58.5 mm-40 -57.91 -43.86 86.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.192 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.536 ' O ' HG12 ' A' ' 32' ' ' ILE . 62.7 mt -66.05 -45.07 91.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.715 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.52 82.34 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.013 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -57.99 -45.6 86.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.432 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -75.67 -30.72 59.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.611 -176.173 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.536 HG12 ' O ' ' A' ' 28' ' ' ILE . 48.3 mm -72.28 -44.56 63.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 121.017 0.436 . . . . 0.0 110.145 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.41 19.47 7.93 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.136 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.4 m -115.72 159.23 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.855 0.36 . . . . 0.0 110.394 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.6 m -75.83 143.18 74.28 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.146 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -58.22 -29.58 88.06 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.912 2.408 . . . . 0.0 112.862 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -65.09 -35.01 79.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.9 0.381 . . . . 0.0 110.959 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.1 m -75.9 -37.57 58.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.456 0.646 . . . . 0.0 109.411 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -64.74 -35.58 81.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.768 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.19 -44.74 94.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.367 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.41 HG22 HD12 ' A' ' 46' ' ' ILE . 11.5 p -64.68 -22.14 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -178.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.566 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 45.1 m0 -76.61 -43.77 37.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.247 0.546 . . . . 0.0 109.608 175.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 43.8 t -67.38 -32.17 72.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.402 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -83.86 -0.12 49.9 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.3 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.48 30.77 77.1 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.83 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.41 HD12 HG22 ' A' ' 41' ' ' THR . 71.1 mt -89.01 -42.84 14.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.784 0.326 . . . . 0.0 110.53 -178.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.5 153.91 44.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.236 -177.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.566 HD11 ' HA ' ' A' ' 7' ' ' LYS . 89.7 mt -108.6 129.09 24.42 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.567 175.805 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.566 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 41.5 Cg_endo -64.93 159.28 46.91 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.71 2.274 . . . . 0.0 112.099 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -63.22 156.22 26.02 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.108 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.2 ttm -50.2 -40.12 46.17 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.43 0.456 . . . . 0.0 112.184 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.33 -29.95 70.09 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.078 -0.582 . . . . 0.0 113.0 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.711 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -85.32 -34.87 21.76 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.543 -0.387 . . . . 0.0 110.648 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.69 -41.49 88.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.36 0.6 . . . . 0.0 109.76 175.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -61.4 -39.0 89.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.545 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.57 -40.94 93.35 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.754 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.04 -51.2 67.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.443 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.62 -34.41 76.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.668 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.94 -42.0 90.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.291 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -64.33 -36.74 85.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.894 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.445 ' HB2' HG12 ' A' ' 63' ' ' ILE . 73.5 m-85 -84.79 -12.36 53.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.505 177.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.3 t30 62.32 34.27 15.91 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.728 0.775 . . . . 0.0 110.059 -177.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.445 HG12 ' HB2' ' A' ' 61' ' ' PHE . 41.5 pt -111.97 -173.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.054 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -92.62 146.47 23.64 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -68.38 -29.53 68.25 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.0 m -59.63 -32.12 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.537 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.16 -24.46 66.31 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.985 0.421 . . . . 0.0 111.307 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.546 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 70.8 mt -90.88 -21.16 21.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.323 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.1 mt . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.953 -173.573 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.474 ' O ' HG13 ' A' ' 9' ' ' ILE . 43.3 mtpt . . . . . 0 C--O 1.222 -0.355 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -62.87 -35.58 80.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.857 0.361 . . . . 0.0 110.622 -176.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.41 ' HE2' ' O ' ' A' ' 45' ' ' GLY . 51.6 mtpt -71.43 -34.94 70.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.011 0.434 . . . . 0.0 110.471 178.451 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.09 -43.04 55.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.327 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 5' ' ' LYS . 76.2 mt -61.71 -42.17 93.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.323 178.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -59.95 -48.61 80.99 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.852 0.358 . . . . 0.0 111.096 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -67.92 -38.52 83.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.06 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.14 -42.33 89.24 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -58.98 -50.15 75.17 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.527 175.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 tp -55.53 -46.72 77.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.148 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -58.75 -36.79 74.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.57 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.8 m -55.33 -52.35 63.77 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.095 0.474 . . . . 0.0 110.997 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -76.34 -31.98 58.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.008 -172.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.433 HG21 ' HG2' ' A' ' 25' ' ' GLN . 80.9 mt -73.31 -45.07 53.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.836 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.63 -22.14 61.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -80.03 -39.91 28.87 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.9 m -73.72 173.58 9.61 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.982 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -103.33 -21.73 13.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.755 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.65 ' HE2' ' HG3' ' A' ' 27' ' ' GLU . 8.1 tptm -78.14 145.23 35.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.518 -174.243 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.442 ' O ' HG13 ' A' ' 28' ' ' ILE . 29.1 p -74.21 157.72 35.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.639 -176.221 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.433 ' HG2' HG21 ' A' ' 18' ' ' ILE . 47.0 mt-30 -63.46 -36.98 85.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.876 177.421 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.41 -46.98 85.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.362 175.603 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.65 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 6.5 mm-40 -59.76 -45.18 93.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.154 178.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.63 ' O ' HG12 ' A' ' 32' ' ' ILE . 72.3 mt -60.13 -52.2 64.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.526 178.439 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.86 78.89 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.549 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -62.56 -44.73 95.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.974 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.7 m -75.63 -21.32 57.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.271 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.63 HG12 ' O ' ' A' ' 28' ' ' ILE . 39.8 mm -72.87 -44.01 58.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.217 0.532 . . . . 0.0 109.671 172.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 113.83 31.42 2.31 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.031 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.3 m -136.59 176.01 8.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.887 0.375 . . . . 0.0 110.518 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.2 m -89.83 150.44 43.87 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.892 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.99 -24.39 65.07 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.761 2.307 . . . . 0.0 111.95 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.64 -48.52 77.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.78 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.1 m -70.03 -31.62 69.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.633 0.73 . . . . 0.0 110.033 -177.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -69.83 -35.81 75.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.105 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -69.33 -38.47 78.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.853 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.501 HG22 HD12 ' A' ' 46' ' ' ILE . 3.3 p -65.54 -24.43 67.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.959 0.409 . . . . 0.0 110.977 177.427 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.485 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 53.8 m0 -77.38 -41.86 38.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.312 0.577 . . . . 0.0 109.831 173.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.9 t -65.24 -29.18 69.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.065 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.3 mmtm -89.12 3.61 51.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.878 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.41 ' O ' ' HE2' ' A' ' 7' ' ' LYS . . . 62.5 29.46 73.54 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.842 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.501 HD12 HG22 ' A' ' 41' ' ' THR . 71.9 mt -76.26 -41.81 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 121.235 0.54 . . . . 0.0 109.649 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.02 137.62 26.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.295 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 99.2 mt -92.81 120.74 67.01 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.485 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 30.0 Cg_endo -60.08 150.28 79.89 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.888 2.392 . . . . 0.0 111.898 -177.263 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -66.49 161.88 21.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.187 -177.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -57.22 -29.47 63.77 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -171.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.98 -28.21 73.47 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.356 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -87.02 -32.81 19.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.841 0.353 . . . . 0.0 110.187 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.42 -36.22 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.112 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -57.59 -43.12 84.37 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.179 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.68 -45.02 92.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.732 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.63 -49.46 75.08 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.896 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.58 -38.2 89.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.202 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -68.95 -39.79 79.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.623 -178.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -58.46 -43.47 88.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.715 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -87.83 -12.16 45.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.3 t30 63.48 49.95 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.989 0.9 . . . . 0.0 109.541 -174.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.7 pt -126.46 -176.46 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.669 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -100.85 156.63 17.26 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -62.49 -29.77 70.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.912 0.387 . . . . 0.0 110.436 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.4 p -68.95 -29.85 68.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.845 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -64.51 -24.05 67.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.13 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.72 -30.8 14.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.222 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.8 mm . . . . . 0 C--N 1.322 -0.587 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -171.279 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 70.7 mmtt . . . . . 0 C--O 1.232 0.156 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -71.37 -36.77 71.57 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.537 ' HA ' HD11 ' A' ' 48' ' ' ILE . 63.8 mttp -58.89 -39.02 80.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.119 173.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.87 -42.32 90.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.726 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.3 mt -60.57 -50.02 82.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.562 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -60.4 -53.98 51.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.944 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.484 ' HB3' ' HA2' ' A' ' 45' ' ' GLY . 30.8 p -63.61 -44.48 93.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.722 -175.331 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.79 -47.22 87.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.649 0.261 . . . . 0.0 110.824 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.43 -47.24 82.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.573 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 18' ' ' ILE . 54.5 tp -63.19 -47.41 82.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.795 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -56.62 -40.89 76.17 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.642 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -59.37 -47.63 84.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.425 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -63.93 -46.53 84.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.65 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 14' ' ' LEU . 84.2 mt -54.36 -51.69 46.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 120.905 0.383 . . . . 0.0 111.26 -178.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.93 -40.95 87.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.27 -177.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 1.031 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 1.9 mmpt? -76.74 -19.32 57.78 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -176.226 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -83.42 -13.62 54.42 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.647 0.26 . . . . 0.0 110.493 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 57.58 47.29 16.25 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.842 0.83 . . . . 0.0 109.854 -178.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -126.01 138.91 53.77 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.27 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.444 ' OG1' ' HB2' ' A' ' 27' ' ' GLU . 34.5 p -71.55 150.71 44.5 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.03 -177.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -54.4 -38.12 65.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.414 177.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -63.72 -47.18 82.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.768 -179.706 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 0.6 OUTLIER -58.75 -46.23 87.92 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.031 0.443 . . . . 0.0 111.079 -178.174 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.3 mt -66.21 -39.33 84.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.246 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.65 -38.89 82.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.103 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 26' ' ' LEU . 29.0 mtpp -60.58 -40.9 93.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.102 0.477 . . . . 0.0 110.832 177.668 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.0 m -70.31 -23.29 62.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.995 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.4 HD11 ' CD2' ' A' ' 57' ' ' LEU . 69.1 mt -87.71 -44.58 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.403 0.62 . . . . 0.0 110.253 177.197 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.66 20.48 8.08 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.534 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.1 m -111.77 173.82 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.954 0.407 . . . . 0.0 110.79 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.7 m -93.74 144.43 28.17 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.475 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.1 -32.47 59.19 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.128 2.552 . . . . 0.0 113.073 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -61.17 -40.11 92.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.15 0.5 . . . . 0.0 110.607 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.5 m -73.55 -39.02 65.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.738 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -64.84 -34.88 79.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.103 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -63.51 -41.35 98.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.846 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.3 p -67.68 -22.31 65.3 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 111.671 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.615 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 50.6 m0 -75.72 -41.26 53.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.175 0.512 . . . . 0.0 109.976 174.269 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 35.2 t -66.25 -29.25 69.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.759 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -83.2 -6.41 59.47 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.484 ' HA2' ' HB3' ' A' ' 11' ' ' SER . . . 70.07 23.93 76.84 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.883 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.9 mt -81.26 -44.21 20.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.182 0.515 . . . . 0.0 110.292 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.97 153.2 51.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.05 -177.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' ' 7' ' ' LYS . 93.9 mt -111.79 126.92 27.64 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.745 176.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.615 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 56.4 Cg_endo -68.98 152.28 73.32 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.612 2.208 . . . . 0.0 111.456 176.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.411 ' O ' HG23 ' A' ' 54' ' ' VAL . 2.9 ttm180 -75.32 167.01 22.73 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.8 ptp -54.34 -26.51 30.15 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -172.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.17 -41.6 99.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.108 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.25 -21.21 24.61 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.797 -0.237 . . . . 0.0 111.056 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.436 HG21 HD11 ' A' ' 69' ' ' ILE . 98.3 t -64.75 -42.82 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.033 0.444 . . . . 0.0 110.337 175.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -61.32 -36.52 80.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.707 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.43 -35.52 81.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.43 . . . . 0.0 110.818 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.464 HD22 HD11 ' A' ' 14' ' ' LEU . 66.9 mt -67.76 -51.86 44.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.355 174.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.26 92.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.47 -177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.7 -34.59 77.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.996 0.427 . . . . 0.0 110.677 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -70.6 -41.9 71.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.02 0.438 . . . . 0.0 110.763 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.504 ' HB2' HG12 ' A' ' 63' ' ' ILE . 60.3 m-85 -86.98 -5.53 59.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 -175.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 66.95 14.8 9.98 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.67 0.748 . . . . 0.0 110.443 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.504 HG12 ' HB2' ' A' ' 61' ' ' PHE . 40.3 pt -91.93 -173.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.016 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -101.6 153.41 19.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.991 0.424 . . . . 0.0 110.518 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -62.43 -30.71 71.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.996 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -32.61 74.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.054 -176.12 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.85 -35.0 61.03 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.0 mt -93.78 -30.02 15.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.701 -177.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.436 HD11 HG21 ' A' ' 54' ' ' VAL . 47.6 mm . . . . . 0 C--O 1.238 0.459 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -171.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.514 ' O ' HG13 ' A' ' 9' ' ' ILE . 21.7 mttm . . . . . 0 N--CA 1.456 -0.14 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.06 -43.4 98.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.003 0.43 . . . . 0.0 110.169 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.549 ' HA ' HD11 ' A' ' 48' ' ' ILE . 42.5 mtpt -63.21 -36.92 85.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.742 175.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.94 -38.38 86.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.054 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 5' ' ' LYS . 83.8 mt -62.64 -51.43 72.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.732 178.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 87.6 t80 -55.1 -49.7 71.05 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.03 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.494 ' OG ' ' HA2' ' A' ' 45' ' ' GLY . 55.3 m -63.45 -43.65 96.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.492 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -59.49 -47.08 86.88 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.807 0.336 . . . . 0.0 110.684 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -60.73 -55.09 37.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.595 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.453 ' O ' HG13 ' A' ' 18' ' ' ILE . 59.4 tp -58.73 -47.51 84.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.203 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.557 ' HA ' HD12 ' A' ' 18' ' ' ILE . 60.5 t30 -61.92 -33.11 73.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.176 -175.402 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.5 m -65.6 -42.22 91.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.771 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -67.91 -34.57 76.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.321 . . . . 0.0 110.405 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 15' ' ' ASN . 92.3 mt -63.0 -48.61 87.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.886 178.582 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.63 88.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.008 0.433 . . . . 0.0 111.337 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.28 -5.52 52.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.149 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.8 t -76.91 -15.76 59.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.594 175.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 73.51 -37.71 0.39 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.714 0.805 . . . . 0.0 111.54 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.565 ' HE3' ' N ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -66.58 157.74 31.6 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 174.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.4 p -86.06 159.2 19.63 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.364 0.602 . . . . 0.0 112.338 -171.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.538 ' HG2' HG21 ' A' ' 18' ' ' ILE . 51.8 mt-30 -57.2 -37.65 72.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.6 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.426 ' HG ' ' HB3' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -64.56 -40.07 94.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.701 179.213 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.58 -40.36 94.49 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.179 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.549 HD12 HG23 ' A' ' 18' ' ' ILE . 62.4 mt -72.73 -42.07 61.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.966 177.036 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.52 -46.58 86.46 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.806 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -26.24 67.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.771 0.32 . . . . 0.0 111.118 -178.644 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.5 m -77.46 -36.23 53.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.385 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 28' ' ' ILE . 47.5 mm -68.3 -44.1 84.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.88 175.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.93 29.13 3.91 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.28 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.6 m -127.29 161.87 33.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.8 p -72.12 145.46 88.63 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.639 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.426 ' HB3' ' HG ' ' A' ' 26' ' ' LEU . 10.8 Cg_endo -54.88 -35.59 89.36 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.007 2.472 . . . . 0.0 113.47 -176.16 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -75.55 -24.69 56.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.9 m -74.85 -32.89 62.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.738 0.78 . . . . 0.0 109.191 175.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -71.32 -34.61 70.73 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.034 172.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -68.38 -38.51 81.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.302 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.512 HG22 HD12 ' A' ' 46' ' ' ILE . 1.1 p -64.71 -25.04 67.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.7 0.285 . . . . 0.0 111.243 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.523 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 51.6 m0 -74.6 -38.66 62.55 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 173.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.8 t -66.06 -27.98 68.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.647 177.001 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -84.3 -5.13 59.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.402 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.494 ' HA2' ' OG ' ' A' ' 11' ' ' SER . . . 66.16 32.11 81.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.729 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.512 HD12 HG22 ' A' ' 41' ' ' THR . 64.4 mt -85.87 -31.99 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.971 0.415 . . . . 0.0 110.827 -178.592 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.51 148.61 25.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.502 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.549 HD11 ' HA ' ' A' ' 7' ' ' LYS . 80.3 mt -101.2 130.57 24.65 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.344 172.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.56 ' HB2' ' HB3' ' A' ' 53' ' ' LYS . 46.5 Cg_endo -67.0 162.0 40.05 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.617 2.211 . . . . 0.0 111.668 177.334 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ttt85 -82.83 167.13 18.38 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.5 ptp -50.52 -36.92 36.36 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.051 0.759 . . . . 0.0 113.051 -170.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.33 -35.37 91.4 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.45 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.56 ' HB3' ' HB2' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -85.49 -32.86 22.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.815 0.34 . . . . 0.0 110.161 -178.818 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.445 HG22 ' HG2' ' A' ' 49' ' ' PRO . 84.9 t -62.78 -39.5 85.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.359 177.312 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -59.69 -37.77 79.71 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.571 178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.74 -42.17 91.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.829 0.347 . . . . 0.0 110.687 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.23 -50.34 70.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.708 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.08 -25.87 66.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.391 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -76.2 -41.59 48.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.739 0.304 . . . . 0.0 110.508 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -56.88 -44.77 82.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.775 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -87.6 -6.0 58.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.274 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 56.6 t30 51.3 65.8 1.38 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.947 -176.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.5 pt -135.34 177.15 7.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.116 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -94.67 156.06 16.58 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -58.29 -30.15 66.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.833 0.349 . . . . 0.0 111.162 -179.771 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.414 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 18.5 m -66.33 -18.29 65.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.869 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.15 -34.01 65.82 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.116 0.484 . . . . 0.0 110.576 176.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 90.4 mt -94.14 -43.44 8.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.449 -177.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.402 HD13 ' CD1' ' A' ' 10' ' ' PHE . 36.1 mm . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.399 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -65.25 -32.52 74.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.5 -47.47 81.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.253 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.04 79.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.84 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.8 mt -57.23 -51.01 74.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.844 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -58.81 -54.99 40.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.416 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.1 p -64.83 -41.67 95.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.499 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.63 -47.08 82.81 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.965 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -70.2 -41.97 72.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.849 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.1 tp -59.18 -44.63 92.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.016 0.436 . . . . 0.0 110.115 176.407 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -60.08 -32.9 71.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.498 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 m -65.54 -36.28 83.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.953 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -77.03 -33.68 57.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.557 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 86.5 mt -65.08 -46.99 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.388 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.61 -5.14 41.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.201 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 tttp -86.29 -22.92 26.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.333 0.587 . . . . 0.0 109.657 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.1 t -104.28 177.4 4.86 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.975 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.1 -1.19 40.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.038 0.447 . . . . 0.0 110.209 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -77.92 130.19 36.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.977 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.0 p -79.34 168.37 19.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.472 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -57.13 -33.32 67.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.524 175.083 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.46 HD23 ' HB3' ' A' ' 36' ' ' PRO . 12.1 mt -71.48 -44.26 65.05 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.388 177.234 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 5.4 mm-40 -65.45 -39.99 92.68 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.902 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.02 -40.13 75.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.12 177.487 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.94 -45.55 86.45 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.242 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -68.69 -26.7 65.42 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.859 0.361 . . . . 0.0 110.849 -178.749 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.1 m -74.67 -43.76 53.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.299 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.8 mm -70.8 -44.73 75.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.176 0.512 . . . . 0.0 110.184 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.19 31.15 3.38 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.56 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.2 m -122.34 163.37 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 -179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 m -71.11 146.91 93.2 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.901 177.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.46 ' HB3' HD23 ' A' ' 26' ' ' LEU . 14.7 Cg_endo -57.03 -33.14 95.1 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.699 2.266 . . . . 0.0 112.116 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -66.37 -35.79 81.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.154 0.502 . . . . 0.0 110.546 177.276 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.4 m -67.99 -39.28 83.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.592 0.71 . . . . 0.0 109.298 -177.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -71.22 -34.73 71.09 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.838 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -66.01 -40.13 90.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.084 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 p -65.32 -22.91 66.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.72 0.295 . . . . 0.0 111.447 178.149 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.511 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 52.4 m0 -77.64 -40.75 40.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.235 0.54 . . . . 0.0 109.885 173.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 46.0 t -63.72 -33.28 75.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.878 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -84.43 -4.92 59.19 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.501 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.97 35.82 92.6 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.629 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 49.5 mm -81.72 -41.59 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.331 0.586 . . . . 0.0 110.074 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.57 154.29 42.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.373 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 98.6 mt -108.36 131.31 21.85 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.577 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.511 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 48.6 Cg_endo -66.64 158.05 57.81 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.932 2.422 . . . . 0.0 111.73 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.5 mtp85 -93.58 -175.68 3.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.729 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 88.9 mtp -56.92 -30.6 64.13 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -171.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.35 -38.65 96.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.762 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 53' ' ' LYS . 10.5 mptt -97.12 -28.58 14.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -177.046 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.4 t -59.71 -36.94 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.129 0.49 . . . . 0.0 109.966 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -59.31 -42.32 91.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.849 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.21 -40.85 77.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.734 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.49 -50.86 67.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.188 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.6 -35.44 79.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.012 0.434 . . . . 0.0 110.889 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.44 -44.34 68.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.141 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -65.25 -36.74 85.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.32 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -90.84 -4.51 56.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.7 t30 55.48 48.91 17.86 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.357 0.599 . . . . 0.0 110.27 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.4 pt -127.15 -177.71 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.431 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -98.62 161.66 13.55 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.473 ' O ' HG13 ' A' ' 69' ' ' ILE . 63.6 pttt -63.68 -32.2 73.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.304 0.573 . . . . 0.0 109.925 177.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.8 t -66.37 -27.9 68.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.287 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -66.87 -25.64 66.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.899 0.381 . . . . 0.0 111.172 -176.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.4 mt -94.56 -23.36 17.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 65' ' ' LYS . 72.7 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.608 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.0 mttt . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 120.692 0.282 . . . . 0.0 111.584 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -64.28 -34.66 78.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.362 -176.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.498 ' NZ ' ' HB2' ' A' ' 7' ' ' LYS . 4.7 ttmp? -63.43 -36.79 84.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.838 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.38 -33.07 62.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.6 mt -72.19 -43.26 66.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.857 176.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.42 ' CD1' ' HB3' ' A' ' 68' ' ' LEU . 67.5 t80 -53.17 -57.33 10.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.834 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.3 p -63.14 -46.94 84.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.663 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -59.32 -48.55 81.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.235 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -72.4 -40.16 67.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.804 -177.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 18' ' ' ILE . 61.1 tp -60.48 -48.88 79.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.994 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.469 ' HA ' HD12 ' A' ' 18' ' ' ILE . 3.3 t30 -60.18 -35.62 75.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.415 -178.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.1 m -62.11 -43.82 98.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.776 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -66.92 -37.67 84.76 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.561 0.219 . . . . 0.0 110.858 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 15' ' ' ASN . 77.4 mt -60.39 -45.06 97.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.957 0.408 . . . . 0.0 110.286 176.654 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.06 94.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.887 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -59.45 -38.16 80.02 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.1 t -72.25 -21.92 61.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.289 -176.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 58.22 42.1 22.5 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 122.094 0.95 . . . . 0.0 109.109 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' HD2' HG12 ' A' ' 28' ' ' ILE . 25.3 ttmm -121.34 160.54 23.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.532 -176.11 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.9 p -88.13 145.02 26.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.703 0.287 . . . . 0.0 110.908 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.45 -37.5 83.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.073 0.463 . . . . 0.0 110.332 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -43.53 94.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.52 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -64.29 -42.46 96.39 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.692 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.512 ' O ' HG12 ' A' ' 32' ' ' ILE . 57.6 mt -63.53 -45.29 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.39 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.18 -39.0 77.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.703 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -65.92 -34.48 78.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.366 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.1 m -75.66 -32.31 60.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.78 0.324 . . . . 0.0 110.825 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 28' ' ' ILE . 47.7 mm -77.54 -44.26 29.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.125 0.488 . . . . 0.0 110.615 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.37 31.73 3.18 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.043 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.12 167.27 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.686 0.279 . . . . 0.0 110.368 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.1 m -72.92 148.57 89.49 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.158 177.624 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.54 -28.48 85.84 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.442 2.095 . . . . 0.0 111.583 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -68.68 -35.49 77.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.843 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.1 m -70.03 -36.29 74.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.748 0.785 . . . . 0.0 109.308 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -71.03 -34.55 71.4 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.586 175.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.56 -40.88 98.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.044 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 p -65.36 -22.87 66.86 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.801 0.334 . . . . 0.0 111.725 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -83.5 -37.96 22.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.107 0.48 . . . . 0.0 109.779 175.263 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.9 -37.33 87.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.803 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -81.04 -4.66 55.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.242 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.27 44.36 96.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.132 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.8 mt -89.3 -41.01 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.037 0.446 . . . . 0.0 110.252 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -146.3 148.45 32.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.557 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.8 mt -95.56 124.72 52.08 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.237 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -67.74 155.56 69.49 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.939 2.426 . . . . 0.0 112.005 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -67.4 150.87 48.36 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.614 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 45.7 ttm -51.73 -33.85 36.46 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -173.38 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.14 -37.37 91.62 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.354 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.27 -28.7 38.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.928 0.394 . . . . 0.0 110.495 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.5 t -63.8 -34.46 68.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.057 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' A' ' 51' ' ' MET . 28.2 mm-40 -54.73 -48.42 72.56 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.509 176.706 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.4 98.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.002 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.49 -50.85 69.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.778 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.37 -38.95 91.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.071 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.26 -43.96 85.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -62.02 -37.95 86.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.968 -177.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -91.46 -3.59 56.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.054 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 57.96 36.16 25.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.371 -177.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.0 pt -113.26 -177.07 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.292 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -92.39 152.24 19.84 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.443 ' O ' HG13 ' A' ' 69' ' ' ILE . 23.9 pttm -64.95 -30.04 71.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.074 0.464 . . . . 0.0 110.089 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.3 m -66.42 -19.06 65.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.663 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -63.04 -29.85 71.14 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.351 0.596 . . . . 0.0 110.471 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.42 ' HB3' ' CD1' ' A' ' 10' ' ' PHE . 78.4 mt -93.37 -19.89 20.88 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.808 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.451 ' O ' HG22 ' A' ' 69' ' ' ILE . 19.9 mt . . . . . 0 CA--C 1.539 0.557 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.159 -173.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HE3' HD11 ' A' ' 9' ' ' ILE . 58.3 tptt . . . . . 0 C--O 1.231 0.129 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.78 -44.35 97.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.487 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.676 ' HD3' HG13 ' A' ' 48' ' ' ILE . 17.6 ttpp -70.84 -31.77 68.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.502 -178.109 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.72 -42.57 95.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.271 175.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.444 HD11 ' HE3' ' A' ' 5' ' ' LYS . 85.3 mt -62.95 -51.67 69.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.521 176.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -54.46 -49.04 70.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.339 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 p -66.27 -42.86 87.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.331 -178.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.19 -45.7 90.52 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.807 0.337 . . . . 0.0 110.487 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -59.0 -55.33 36.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.721 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.504 ' HG ' HD11 ' A' ' 18' ' ' ILE . 59.3 tp -58.47 -44.45 89.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.763 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -56.47 -34.97 67.4 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.976 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.582 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 17.6 m -59.51 -43.19 93.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.73 -178.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -73.8 -37.48 64.92 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.63 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.504 HD11 ' HG ' ' A' ' 14' ' ' LEU . 69.2 mt -64.44 -51.89 62.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.111 -178.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.7 -7.08 54.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.796 -175.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' A' ' 16' ' ' SER . 26.6 tttp -91.86 -17.12 25.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.167 0.508 . . . . 0.0 110.177 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -90.54 155.35 18.95 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.064 -177.096 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -81.14 -13.15 58.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.642 173.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -90.27 120.47 31.44 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.305 -0.862 . . . . 0.0 108.899 175.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.0 p -81.47 178.06 8.58 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.753 -171.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -52.59 -33.2 45.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.538 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -70.27 -44.32 68.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.58 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -61.16 -49.84 75.61 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.4 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.476 ' O ' HG12 ' A' ' 32' ' ' ILE . 55.5 mt -65.21 -42.61 94.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.163 -175.684 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.35 -38.26 76.87 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.492 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 26' ' ' LEU . 9.3 mtpm? -62.94 -37.34 86.65 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.286 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 m -78.69 -34.53 46.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.145 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 28' ' ' ILE . 49.3 mm -69.77 -44.52 79.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.006 0.432 . . . . 0.0 110.639 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.57 24.72 3.64 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.472 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.4 m -128.88 176.49 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.8 m -88.21 154.63 51.95 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.45 -26.48 63.43 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.516 2.144 . . . . 0.0 111.684 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -67.18 -40.69 86.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.594 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.4 m -66.61 -40.99 89.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.565 0.698 . . . . 0.0 109.445 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -66.74 -34.27 77.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.055 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -33.39 75.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.835 -178.513 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.4 p -67.73 -37.48 82.26 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.985 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.407 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 29.6 m0 -67.8 -36.55 80.63 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.162 0.506 . . . . 0.0 109.811 176.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.28 -36.52 83.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.512 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -83.04 -4.9 58.83 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.242 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.29 32.79 85.37 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.612 -177.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.9 mt -73.43 -52.3 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.832 0.349 . . . . 0.0 110.433 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.64 172.05 13.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.566 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.676 HG13 ' HD3' ' A' ' 7' ' ' LYS . 95.6 mt -119.82 129.72 25.21 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.72 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.407 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 60.1 Cg_endo -70.21 155.56 64.17 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.613 2.208 . . . . 0.0 111.878 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 54' ' ' VAL . 80.1 mtt180 -85.41 170.65 12.51 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.467 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.647 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 24.4 ptm -50.25 -35.46 27.06 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.793 0.683 . . . . 0.0 112.64 -172.599 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.17 -46.17 56.81 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 121.178 -0.534 . . . . 0.0 113.15 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -92.5 -22.4 19.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 50' ' ' ARG . 78.6 t -61.04 -42.6 93.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 110.755 177.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.647 ' HG2' ' O ' ' A' ' 51' ' ' MET . 9.5 mm-40 -67.15 -32.39 73.47 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.95 74.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.665 177.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.15 -50.3 73.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.696 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.84 -28.59 70.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.318 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -74.34 -39.2 62.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -71.94 -31.66 66.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.855 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -92.85 -6.32 49.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.771 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 m120 57.87 42.74 22.65 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.529 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.6 pt -122.98 178.48 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.585 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -98.78 170.77 8.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.702 0.287 . . . . 0.0 110.523 -176.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.81 -37.08 73.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.509 176.214 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 m -61.96 -43.94 97.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.398 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -61.63 -23.37 66.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.819 -174.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.2 mt -90.81 -31.16 16.6 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.8 mm . . . . . 0 C--N 1.326 -0.43 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -170.266 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.465 ' HG2' ' OE1' ' A' ' 6' ' ' GLN . 21.6 pttm . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.465 ' OE1' ' HG2' ' A' ' 5' ' ' LYS . 1.1 mp0 -57.61 -46.8 83.63 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.236 0.541 . . . . 0.0 109.814 174.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -63.7 -37.56 87.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.437 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 12' ' ' GLU . . . -75.78 -35.12 60.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.691 -179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 5' ' ' LYS . 94.5 mt -71.2 -47.03 62.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.458 0.171 . . . . 0.0 110.971 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -54.92 -46.95 74.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.637 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.5 p -70.06 -42.55 72.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.991 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 8' ' ' ALA . 8.4 tp10 -58.14 -51.01 71.49 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.78 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.7 -55.75 31.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.562 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.59 ' O ' HG13 ' A' ' 18' ' ' ILE . 52.3 tp -55.35 -51.29 67.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.013 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.494 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -61.35 -36.84 81.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.969 -175.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.3 m -68.02 -40.65 82.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.065 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -66.65 -40.15 88.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.633 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.59 HG13 ' O ' ' A' ' 14' ' ' LEU . 78.8 mt -55.47 -44.13 74.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.995 0.426 . . . . 0.0 110.805 177.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.85 -29.41 64.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.5 -178.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -80.62 -40.33 25.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.748 0.309 . . . . 0.0 111.071 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.2 m -67.77 -30.12 69.5 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 120.802 0.334 . . . . 0.0 110.147 175.219 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 58.67 69.7 0.71 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.265 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.401 ' HE2' ' HG3' ' A' ' 27' ' ' GLU . 21.0 tptm -133.42 157.88 44.46 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.467 ' OG1' ' HB2' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -75.19 136.22 41.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.733 0.302 . . . . 0.0 111.246 -178.665 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -60.39 -41.69 94.36 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.596 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.67 ' HG ' ' HG3' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -57.01 -43.59 81.94 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.709 177.622 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 1.4 tm-20 -59.65 -49.91 75.92 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.583 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 32' ' ' ILE . 55.0 mt -59.59 -47.91 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.646 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.11 92.35 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.984 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -63.3 -41.08 98.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.508 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.3 t -71.4 -19.38 62.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.045 0.45 . . . . 0.0 110.881 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 28' ' ' ILE . 96.4 mt -81.95 -44.78 20.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.114 0.483 . . . . 0.0 110.25 176.357 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 113.44 23.12 5.24 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.547 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.5 m -125.12 -176.19 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.3 m -101.7 156.72 34.86 Favored Pre-proline 0 C--N 1.319 -0.739 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.67 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 33.8 Cg_exo -56.65 -30.19 82.64 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.693 2.262 . . . . 0.0 112.301 178.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -63.93 -39.74 94.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.13 0.49 . . . . 0.0 110.358 174.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.5 m -67.34 -40.27 85.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.735 0.779 . . . . 0.0 109.059 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -64.74 -34.99 79.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.205 177.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -64.41 -37.81 88.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.343 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.4 p -64.83 -23.9 67.38 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.815 0.341 . . . . 0.0 111.079 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.406 ' CD1' ' HD3' ' A' ' 49' ' ' PRO . 26.5 m0 -88.8 -40.99 12.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.061 0.458 . . . . 0.0 109.978 177.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 35.6 t -65.44 -37.46 86.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.381 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.476 ' HB3' HG13 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -83.66 -0.95 52.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.305 178.201 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.49 46.34 94.01 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.251 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.476 HG13 ' HB3' ' A' ' 44' ' ' LYS . 73.8 mt -93.09 -49.22 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.857 0.36 . . . . 0.0 110.274 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.49 153.3 51.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.542 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.7 mt -105.36 125.75 32.67 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.841 177.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.452 ' HB2' ' HB2' ' A' ' 53' ' ' LYS . 63.6 Cg_endo -70.58 172.55 13.23 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.882 2.388 . . . . 0.0 112.089 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -92.5 168.4 11.29 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.614 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.622 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 10.6 mmt -50.84 -42.2 58.41 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -173.336 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.06 -33.35 64.11 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.666 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.452 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 94.7 mttt -86.01 -34.66 20.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.936 0.398 . . . . 0.0 110.418 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.8 t -62.97 -34.69 67.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.536 177.058 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' A' ' 51' ' ' MET . 28.8 mm-40 -60.97 -37.8 83.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 178.243 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.65 -41.22 79.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.846 0.355 . . . . 0.0 110.481 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.15 -49.51 77.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.441 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.12 -29.26 70.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.536 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -78.16 -40.61 37.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.846 -178.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.463 ' CE2' HG12 ' A' ' 28' ' ' ILE . 66.5 t80 -60.82 -41.66 96.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.78 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -87.02 -13.23 45.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.324 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.9 t30 61.05 33.43 19.61 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.653 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.444 HG13 ' H ' ' A' ' 64' ' ' ASN . 1.5 pt -104.56 -87.31 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.499 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.444 ' H ' HG13 ' A' ' 63' ' ' ILE . 15.4 t-20 -176.12 163.0 2.58 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 176.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -69.68 -30.45 68.11 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.082 0.467 . . . . 0.0 110.105 176.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.2 m -62.89 -41.65 99.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.499 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -62.71 -25.22 68.06 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.703 -177.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.36 -39.84 10.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.58 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.5 mm . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.745 -174.158 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.6 pttm . . . . . 0 N--CA 1.457 -0.075 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -39.66 86.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.352 0.596 . . . . 0.0 109.905 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.438 ' HA ' HD11 ' A' ' 48' ' ' ILE . 9.3 mtpm? -71.76 -26.8 62.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.288 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.75 -37.82 58.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.931 0.396 . . . . 0.0 110.693 177.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.4 mt -66.39 -51.61 56.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.374 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -54.02 -48.41 70.52 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.475 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.486 ' HB3' ' HA2' ' A' ' 45' ' ' GLY . 13.7 p -67.07 -46.89 72.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.865 -176.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.68 -41.07 76.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.944 0.402 . . . . 0.0 110.865 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.41 -53.7 32.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.38 178.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.3 tp -58.29 -39.72 80.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.675 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 11' ' ' SER . 1.3 t30 -56.13 -40.47 73.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.351 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -65.82 -42.78 90.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.89 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -65.07 -39.04 92.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.978 0.418 . . . . 0.0 110.824 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.9 mt -71.21 -41.83 75.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.993 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.2 -29.62 69.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.925 0.393 . . . . 0.0 111.36 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -72.02 -31.23 65.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.335 0.588 . . . . 0.0 110.126 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.9 t -67.43 143.78 56.08 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.362 -176.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -87.99 -0.24 56.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.266 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -90.74 -177.39 4.98 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.195 0.521 . . . . 0.0 111.651 -175.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.475 ' O ' HG13 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -104.14 151.02 23.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.725 -178.635 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -66.17 -41.52 90.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.216 0.532 . . . . 0.0 109.796 178.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.654 ' HG ' ' HG3' ' A' ' 36' ' ' PRO . 1.3 tt -56.05 -47.31 78.14 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.532 174.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -60.99 -43.27 99.1 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 114.595 -1.184 . . . . 0.0 111.493 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.552 ' O ' HG12 ' A' ' 32' ' ' ILE . 78.0 mt -64.48 -53.59 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.587 177.111 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.09 94.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.79 -176.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.43 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 9.1 tmtt? -60.92 -39.67 90.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.122 -178.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.8 m -72.22 -27.87 62.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.552 HG12 ' O ' ' A' ' 28' ' ' ILE . 47.4 mm -70.3 -44.94 77.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-O 121.177 0.513 . . . . 0.0 110.233 176.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.8 20.17 4.64 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.687 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.5 m -128.02 169.84 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -82.85 144.34 47.97 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.364 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.654 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 11.6 Cg_endo -58.13 -28.69 84.74 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.779 2.319 . . . . 0.0 111.777 175.618 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.409 ' OE1' ' HG2' ' A' ' 36' ' ' PRO . 2.1 mp0 -59.2 -39.67 83.37 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.117 176.02 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.5 m -78.45 -37.65 43.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.044 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -61.97 -37.0 83.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.735 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -61.1 -42.54 98.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.485 HG22 HD12 ' A' ' 46' ' ' ILE . 40.1 p -69.26 -24.9 64.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.476 -178.09 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.654 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 51.5 m0 -73.04 -42.64 62.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.327 0.584 . . . . 0.0 109.532 174.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.5 t -67.67 -29.57 68.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.217 -177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -89.21 0.57 56.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.641 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.486 ' HA2' ' HB3' ' A' ' 11' ' ' SER . . . 74.32 13.44 81.49 Favored Glycine 0 C--O 1.235 0.167 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.59 178.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.485 HD12 HG22 ' A' ' 41' ' ' THR . 68.5 mt -66.97 -45.09 87.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.959 0.409 . . . . 0.0 110.036 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.28 160.53 40.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.025 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.438 HD11 ' HA ' ' A' ' 7' ' ' LYS . 31.9 mt -118.43 134.41 23.45 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.719 175.642 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.721 ' HB2' ' HB2' ' A' ' 53' ' ' LYS . 69.8 Cg_endo -72.25 169.46 21.52 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.89 2.393 . . . . 0.0 112.631 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -86.89 176.02 7.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.866 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -50.5 -47.81 57.15 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -171.522 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.74 -28.5 63.05 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.384 -0.436 . . . . 0.0 113.102 -177.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.721 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 3.4 mptp? -89.13 -38.52 14.26 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -61.51 -42.42 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.715 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -65.04 -33.53 76.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.78 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.75 -42.24 77.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.28 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.5 -48.76 76.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.718 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.18 -30.89 71.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.223 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.36 -35.9 40.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.84 0.353 . . . . 0.0 110.493 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -58.27 -40.91 83.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.885 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -94.1 -6.98 43.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.01 179.069 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 64.4 t30 55.49 67.75 0.97 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.63 -174.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.7 pt -139.07 -175.06 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.716 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -106.43 178.71 4.48 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.875 -0.416 . . . . 0.0 109.875 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HE3' ' HB2' ' A' ' 65' ' ' LYS . 13.6 ptmt -67.73 -35.71 79.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.686 0.279 . . . . 0.0 110.537 177.236 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 16.3 m -60.58 -38.1 83.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.576 -175.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -56.79 -34.28 67.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.604 -176.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.5 mt -94.54 -28.75 15.26 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.6 mm . . . . . 0 C--O 1.236 0.389 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -172.655 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.2 tttm . . . . . 0 N--CA 1.467 0.393 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -59.56 -42.7 93.03 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -173.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -65.21 -36.95 85.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.71 0.291 . . . . 0.0 111.506 -177.367 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.12 -43.72 82.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.71 -51.25 58.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.635 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -55.82 -49.4 73.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.036 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.549 ' HB2' ' HA3' ' A' ' 45' ' ' GLY . 40.0 t -61.36 -51.67 67.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.09 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -62.83 -36.38 83.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.876 0.369 . . . . 0.0 111.276 -173.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -72.51 -55.74 6.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.816 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 18' ' ' ILE . 50.5 tp -61.49 -45.58 93.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.548 -176.157 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.39 -38.96 78.39 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.069 0.461 . . . . 0.0 110.757 -175.297 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.1 m -62.04 -44.46 96.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.124 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -70.57 -31.86 69.04 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.389 -0.194 . . . . 0.0 111.061 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 14' ' ' LEU . 84.0 mt -63.81 -40.16 88.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.225 0.536 . . . . 0.0 110.21 176.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.46 -37.27 63.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.464 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -72.28 -33.98 67.84 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 p -75.94 -26.53 56.97 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.156 0.503 . . . . 0.0 109.656 174.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 62.56 30.78 17.1 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.685 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -94.47 150.33 20.37 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.94 174.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.519 ' OG1' ' HB2' ' A' ' 27' ' ' GLU . 1.3 p -75.79 146.32 40.07 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.946 0.403 . . . . 0.0 111.421 -176.429 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -58.87 -38.75 79.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.829 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.431 ' HG ' ' HB3' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -62.64 -44.98 94.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.249 177.704 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.519 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 0.8 OUTLIER -61.35 -52.06 66.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.885 -178.932 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.512 ' O ' HG12 ' A' ' 32' ' ' ILE . 61.6 mt -64.8 -40.36 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.109 -178.055 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.42 -43.22 75.1 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.521 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -64.43 -42.64 95.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.067 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.1 m -66.36 -29.7 69.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 28' ' ' ILE . 39.6 mm -74.56 -43.55 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.048 0.452 . . . . 0.0 110.346 176.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.57 18.54 4.41 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.321 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.3 m -126.67 173.87 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.721 0.296 . . . . 0.0 110.649 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.6 m -85.07 155.18 60.83 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.08 176.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.431 ' HB3' ' HG ' ' A' ' 26' ' ' LEU . 14.3 Cg_endo -56.77 -29.91 82.62 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.72 2.28 . . . . 0.0 112.147 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -66.03 -40.34 90.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.458 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.9 m -70.41 -37.07 74.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.707 0.765 . . . . 0.0 109.306 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -69.05 -34.69 75.59 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.961 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -64.47 -38.39 90.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.478 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.464 HG22 HD12 ' A' ' 46' ' ' ILE . 31.9 p -69.96 -22.68 63.14 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.011 -0.275 . . . . 0.0 111.279 177.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -76.99 -40.94 44.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.968 0.414 . . . . 0.0 110.055 175.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.1 t -64.9 -37.75 88.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.378 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.563 ' HB3' HG13 ' A' ' 46' ' ' ILE . 21.2 mmtt -71.02 -18.11 62.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.844 174.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.549 ' HA3' ' HB2' ' A' ' 11' ' ' SER . . . 69.89 39.19 75.55 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.152 -175.576 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.563 HG13 ' HB3' ' A' ' 44' ' ' LYS . 71.8 mt -85.47 -40.35 14.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.105 0.478 . . . . 0.0 110.594 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.54 147.67 41.53 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.738 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.3 mp -111.79 125.25 30.65 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.379 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.504 ' HB2' ' HB2' ' A' ' 53' ' ' LYS . 74.0 Cg_endo -75.13 174.66 12.41 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.987 2.458 . . . . 0.0 112.283 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -99.98 -168.09 1.55 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 53.0 tpp -50.34 -47.1 56.04 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.844 -168.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.7 -34.07 80.42 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 113.207 -175.313 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.504 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 9.7 mptt -92.87 -34.76 13.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.534 0.207 . . . . 0.0 111.065 -177.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.62 -42.8 96.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.781 0.324 . . . . 0.0 110.311 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -63.4 -38.92 93.02 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.86 -40.44 95.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.605 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.87 -50.13 67.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.234 176.368 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.31 -43.97 88.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.409 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -63.87 -42.04 97.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.204 0.526 . . . . 0.0 110.74 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -65.53 -33.3 75.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.004 -176.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -100.29 5.76 44.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.446 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 56.41 54.49 7.51 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.595 0.712 . . . . 0.0 111.011 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.9 pt -136.69 -171.45 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.806 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.406 ' HB2' ' OD1' ' A' ' 67' ' ' ASP . 35.9 m-80 -100.73 162.09 13.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.799 0.333 . . . . 0.0 110.191 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -60.21 -31.58 70.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.265 0.555 . . . . 0.0 110.952 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -72.62 -20.83 61.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.03 -176.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.406 ' OD1' ' HB2' ' A' ' 64' ' ' ASN . 6.5 m-20 -67.75 -24.72 65.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.112 0.482 . . . . 0.0 111.098 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.5 mt -92.98 -20.64 20.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.3 mm . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.986 -176.924 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.878 0.371 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -64.16 -32.95 74.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.234 -175.218 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.527 ' HA ' HD11 ' A' ' 48' ' ' ILE . 41.4 mtpt -66.66 -32.54 73.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.974 0.416 . . . . 0.0 110.733 177.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.61 -37.37 59.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.4 174.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.7 mt -63.11 -48.83 85.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.997 178.185 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -59.67 -51.66 68.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.1 p -62.26 -37.32 85.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.809 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.75 -52.83 63.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.006 0.432 . . . . 0.0 110.449 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -67.63 -43.0 81.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.008 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.5 tp -61.71 -45.04 95.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 110.376 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -65.97 -34.04 77.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.559 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.1 t -53.95 -45.06 71.18 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.208 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -69.3 -49.26 57.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.965 0.412 . . . . 0.0 110.549 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.406 HG21 ' HG2' ' A' ' 25' ' ' GLN . 71.3 mt -64.09 -39.74 86.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.598 -175.195 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.18 -31.98 66.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.306 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -71.84 -41.02 68.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.269 0.556 . . . . 0.0 109.591 176.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.6 t -64.47 154.17 36.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.174 -176.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -99.15 24.01 8.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.946 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.531 ' HE3' ' HG3' ' A' ' 27' ' ' GLU . 41.7 tptt -109.09 150.76 27.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.661 -179.193 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 p -81.15 146.89 30.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.017 0.436 . . . . 0.0 111.834 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.406 ' HG2' HG21 ' A' ' 18' ' ' ILE . 53.4 mt-30 -61.04 -40.28 93.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.363 178.36 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.56 -45.91 81.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.824 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.531 ' HG3' ' HE3' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -57.8 -47.37 82.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.161 0.505 . . . . 0.0 110.671 -179.521 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.605 ' O ' HG12 ' A' ' 32' ' ' ILE . 62.9 mt -65.56 -48.89 81.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.636 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.33 84.15 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.718 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -64.12 -39.13 93.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.5 m -67.88 -34.69 77.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.882 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.605 HG12 ' O ' ' A' ' 28' ' ' ILE . 48.5 mm -65.14 -44.36 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.242 0.544 . . . . 0.0 109.537 174.466 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 118.33 18.78 4.85 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.021 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.93 160.04 20.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.993 0.425 . . . . 0.0 110.625 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.7 m -73.62 146.98 86.57 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.188 176.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.68 -26.21 71.79 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.605 2.204 . . . . 0.0 111.401 176.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -63.52 -43.48 97.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.302 176.016 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.6 m -70.82 -39.06 73.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.35 0.595 . . . . 0.0 109.843 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -63.42 -34.66 78.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.909 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -66.49 -39.69 88.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.019 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.0 p -68.07 -22.95 64.91 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.717 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.599 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 54.6 m0 -76.3 -45.16 33.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.241 0.543 . . . . 0.0 109.547 173.442 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.5 t -62.54 -31.05 71.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.527 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.772 ' HA ' ' HE2' ' A' ' 44' ' ' LYS . 6.9 mmpt? -85.75 -3.73 58.98 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.526 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.1 24.81 75.8 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.903 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.4 mt -77.74 -37.6 24.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.306 0.574 . . . . 0.0 110.13 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.21 150.1 33.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.168 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.527 HD11 ' HA ' ' A' ' 7' ' ' LYS . 86.8 mt -106.54 128.36 26.38 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.691 176.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.599 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 42.7 Cg_endo -64.97 153.37 78.57 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.547 2.165 . . . . 0.0 111.538 178.679 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 54' ' ' VAL . 48.8 mtt180 -90.51 173.93 7.81 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -178.776 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 82.8 mtp -54.97 -30.78 59.83 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -170.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.59 -45.15 96.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.565 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.584 ' N ' ' HE2' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -85.62 -31.49 22.55 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.48 -0.423 . . . . 0.0 111.078 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 50' ' ' ARG . 65.2 t -63.98 -34.16 66.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.805 0.336 . . . . 0.0 110.289 178.075 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -52.92 -42.47 65.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.74 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.78 -40.02 76.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.759 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.4 -48.12 82.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.513 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.97 -28.58 69.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.077 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.67 -41.84 59.56 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.095 0.474 . . . . 0.0 110.752 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -64.07 -40.61 96.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.965 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -91.0 -6.99 53.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.293 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.2 m120 54.78 57.71 5.45 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.511 0.672 . . . . 0.0 111.237 -176.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.5 pt -134.49 -171.84 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.823 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -96.71 160.43 14.38 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.7 -32.56 74.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.061 0.458 . . . . 0.0 110.212 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.7 p -74.63 -26.06 59.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.721 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -61.81 -24.88 67.15 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -172.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.87 -19.85 22.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.736 0.303 . . . . 0.0 111.473 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.0 mm . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.102 -174.793 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.48 ' O ' HG13 ' A' ' 9' ' ' ILE . 61.6 mttp . . . . . 0 C--O 1.226 -0.136 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -58.49 -42.94 88.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.075 0.464 . . . . 0.0 110.866 -178.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -66.99 -36.53 82.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.861 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.0 -31.97 64.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.07 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 5' ' ' LYS . 85.7 mt -66.53 -42.5 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 174.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -57.83 -47.87 81.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.981 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 p -67.44 -46.85 71.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.098 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -57.83 -41.6 82.63 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.323 0.583 . . . . 0.0 110.327 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.82 -51.56 64.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.265 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 18' ' ' ILE . 43.6 tp -58.5 -48.05 82.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.335 -179.014 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -58.92 -32.86 69.94 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.717 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.3 m -58.67 -37.76 76.71 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -75.8 -46.52 30.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.99 178.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.523 HD11 ' HG ' ' A' ' 14' ' ' LEU . 52.3 mt -60.8 -40.82 86.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.619 -174.723 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.25 -12.83 60.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.793 -176.179 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -104.13 -17.64 14.83 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.142 0.496 . . . . 0.0 110.407 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.9 t -83.1 168.36 16.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.088 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -90.22 -3.68 57.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.281 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.629 ' HG2' ' OH ' ' A' ' 60' ' ' TYR . 1.9 mptm? -86.52 149.15 25.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.621 -176.413 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.5 p -98.35 167.37 10.88 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.378 176.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -60.17 -33.86 72.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.279 0.562 . . . . 0.0 110.303 178.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mt -68.05 -41.54 81.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.352 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -62.39 -50.75 70.3 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.559 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.48 ' O ' HG12 ' A' ' 32' ' ' ILE . 58.8 mt -63.37 -44.48 99.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.84 -177.5 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.99 -42.14 79.7 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.793 0.33 . . . . 0.0 111.064 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' C ' ' HD2' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -60.31 -43.91 95.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.51 177.819 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.3 m -74.99 -18.74 60.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.769 -174.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 28' ' ' ILE . 50.5 mm -87.52 -44.7 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.04 0.448 . . . . 0.0 109.925 175.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.56 28.6 2.28 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.032 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.422 ' HB ' ' HB ' ' A' ' 38' ' ' THR . 27.0 m -131.53 176.74 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.772 0.32 . . . . 0.0 110.721 -178.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 m -84.24 156.53 63.07 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.54 -33.66 93.34 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.577 2.185 . . . . 0.0 111.781 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -73.97 -27.67 61.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.347 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.422 ' HB ' ' HB ' ' A' ' 34' ' ' VAL . 1.8 m -71.14 -38.18 72.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.419 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -71.35 -40.52 70.63 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.284 -1.325 . . . . 0.0 110.456 177.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.402 ' HA ' ' HB2' ' A' ' 43' ' ' CYS . 17.7 t30 -68.23 -32.7 73.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.926 -176.142 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.516 HG22 HD12 ' A' ' 46' ' ' ILE . 1.9 p -67.32 -33.79 76.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.78 0.324 . . . . 0.0 110.665 176.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.523 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 35.0 m0 -70.17 -38.63 75.46 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 171.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 40' ' ' ASN . 96.3 m -62.45 -31.25 71.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.254 177.379 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.419 ' HB3' ' HE3' ' A' ' 44' ' ' LYS . 26.7 mtpp -84.75 -3.55 58.64 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 177.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.61 29.36 74.45 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.61 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.516 HD12 HG22 ' A' ' 41' ' ' THR . 75.6 mt -72.87 -49.48 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.126 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.82 156.77 46.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.069 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.2 mt -100.23 129.41 28.22 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.541 ' HG2' HG22 ' A' ' 54' ' ' VAL . 37.5 Cg_endo -64.82 169.3 11.86 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.625 2.217 . . . . 0.0 112.055 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 54' ' ' VAL . 9.8 ttm180 -75.9 160.32 30.03 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 48.6 ttm -50.43 -41.75 52.94 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -168.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.36 -47.57 90.44 Favored Glycine 0 CA--C 1.516 0.153 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.933 -177.278 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.406 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 49.6 mttp -76.47 -22.01 55.11 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.74 -0.271 . . . . 0.0 111.589 -178.03 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.541 HG22 ' HG2' ' A' ' 49' ' ' PRO . 94.3 t -65.4 -42.69 94.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 173.301 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -66.74 -32.97 74.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.125 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.84 -42.68 94.74 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.737 176.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 53' ' ' LYS . 95.0 mt -59.14 -49.79 76.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.799 177.071 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.21 91.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.83 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.3 -45.42 93.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.041 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' TYR . . . . . 0.629 ' OH ' ' HG2' ' A' ' 23' ' ' LYS . 85.2 t80 -59.46 -38.75 81.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.146 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -90.23 4.86 49.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.959 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 64.55 18.44 11.38 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.185 174.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.1 pt -111.58 179.42 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.033 0.444 . . . . 0.0 111.503 -174.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -93.36 162.6 13.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.563 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' H ' ' HD2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -66.07 -33.67 76.32 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.031 0.443 . . . . 0.0 110.109 179.277 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.403 ' N ' ' HG2' ' A' ' 65' ' ' LYS . 13.5 m -66.94 -21.2 65.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.866 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -73.78 -25.48 60.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 110.445 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 86.3 mt -93.81 -37.06 11.96 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.248 177.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 65' ' ' LYS . 48.8 mm . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.004 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.3 pttt . . . . . 0 CA--C 1.529 0.17 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -73.84 -30.72 62.83 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.744 -175.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HE2' HG13 ' A' ' 48' ' ' ILE . 41.8 ttmt -62.3 -42.9 99.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.305 175.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.66 -40.89 92.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.8 -51.29 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.402 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 91.9 t80 -56.34 -49.8 73.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.413 -178.254 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.495 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 23.9 p -61.14 -45.99 92.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.106 -177.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -69.33 -42.42 75.37 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -59.58 -52.28 66.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.708 0.29 . . . . 0.0 110.716 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.456 ' O ' HG13 ' A' ' 18' ' ' ILE . 58.2 tp -62.98 -41.11 99.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.84 0.352 . . . . 0.0 110.481 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' A' ' 11' ' ' SER . 13.1 t-20 -56.28 -44.72 80.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.44 -177.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.7 p -60.64 -47.73 84.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.169 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -60.28 -38.55 83.94 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.657 0.265 . . . . 0.0 110.937 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 14' ' ' LEU . 88.2 mt -63.72 -48.64 85.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.931 0.396 . . . . 0.0 110.627 178.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.21 -32.63 74.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.469 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -76.04 -29.91 58.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.65 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.9 t -77.95 -11.85 59.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.382 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 65.28 14.24 9.29 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.517 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -87.97 150.34 23.5 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 120.851 0.358 . . . . 0.0 110.123 178.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.3 p -81.47 160.6 23.94 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 176.133 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -60.01 -36.73 77.85 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.384 0.611 . . . . 0.0 109.38 175.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.83 -44.89 91.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.905 177.329 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.11 -53.2 59.92 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.432 ' O ' HG13 ' A' ' 32' ' ' ILE . 53.7 mt -68.57 -42.67 83.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.88 -177.485 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.93 -45.66 91.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.978 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.47 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 8.0 tmtm? -63.08 -38.14 89.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.081 0.467 . . . . 0.0 109.952 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.4 m -67.42 -28.26 67.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.066 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 28' ' ' ILE . 73.9 mt -86.87 -44.76 16.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.98 0.419 . . . . 0.0 110.82 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.32 -13.89 8.31 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.096 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -82.78 159.02 3.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.819 0.343 . . . . 0.0 110.849 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 m -76.54 144.02 73.11 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.131 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.84 -33.55 88.75 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.108 2.539 . . . . 0.0 112.787 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -58.78 -45.39 89.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.924 0.392 . . . . 0.0 110.571 177.083 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.6 m -67.65 -38.42 83.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.62 0.724 . . . . 0.0 109.591 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.64 -42.17 98.17 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.08 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -69.29 -33.32 73.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.363 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.418 ' HA ' HD12 ' A' ' 46' ' ' ILE . 31.8 p -68.11 -23.29 64.89 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.825 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.673 ' CE2' ' HB3' ' A' ' 49' ' ' PRO . 31.5 m0 -77.57 -45.73 24.41 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 172.069 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.4 m -58.3 -37.16 74.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.825 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -89.15 10.49 21.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.715 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.08 40.38 93.44 Favored Glycine 0 C--N 1.329 0.186 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.872 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 41' ' ' THR . 72.9 mt -92.52 -58.76 3.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.246 0.546 . . . . 0.0 109.801 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.54 155.21 40.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.498 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.416 HG13 ' HE2' ' A' ' 7' ' ' LYS . 97.2 mt -100.98 129.12 27.92 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.673 ' HB3' ' CE2' ' A' ' 42' ' ' TRP . 61.6 Cg_endo -70.83 145.7 51.64 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.497 2.131 . . . . 0.0 111.482 177.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -76.7 169.72 17.77 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.124 178.304 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 51.1 ttp -59.29 -27.74 66.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -167.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.99 -32.05 82.78 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.289 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.476 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 3.2 mptp? -90.63 -36.05 14.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.722 0.296 . . . . 0.0 110.455 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.54 -39.89 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.056 0.455 . . . . 0.0 110.149 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.63 -41.6 95.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.739 177.224 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.87 85.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.18 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.56 -50.79 69.95 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.866 0.365 . . . . 0.0 110.45 177.044 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.49 72.39 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.657 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.44 -46.82 65.84 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.237 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -67.69 -38.52 83.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.139 0.495 . . . . 0.0 110.843 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -89.12 -6.13 57.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.143 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.9 m120 53.87 49.65 18.6 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.392 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.6 pt -129.46 -171.7 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.656 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -97.4 159.53 14.86 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -68.87 -30.6 69.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.996 0.427 . . . . 0.0 110.781 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.9 m -71.75 -22.56 61.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.401 -178.278 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -64.62 -27.91 69.26 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.954 0.407 . . . . 0.0 110.97 -178.101 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.472 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 97.8 mt -93.76 -20.73 19.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.314 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.8 mm . . . . . 0 C--N 1.329 -0.305 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -174.346 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.6 tptt . . . . . 0 C--O 1.234 0.241 0 CA-C-O 120.772 0.32 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -67.14 -40.81 86.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.321 -173.608 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HA ' HD11 ' A' ' 48' ' ' ILE . 97.8 mttt -56.45 -34.4 66.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 111.166 178.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.91 -46.72 56.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.983 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.4 mt -68.3 -51.43 47.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.708 0.289 . . . . 0.0 110.958 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -58.56 -49.19 78.32 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.303 -177.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.5 t -68.74 -35.44 77.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.816 -177.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.85 -52.23 65.93 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.352 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -59.84 -46.88 87.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.7 tp -56.54 -45.87 80.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.399 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -41.87 83.55 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.2 m -56.91 -51.6 68.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.356 -177.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -67.9 -43.55 79.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.103 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 86.9 mt -60.7 -47.57 92.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.855 0.36 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.31 -17.37 62.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.8 -176.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -81.44 -15.91 53.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.047 0.451 . . . . 0.0 111.416 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.0 t -100.5 139.53 36.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.722 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -100.51 94.88 6.37 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.596 ' HE2' ' HG3' ' A' ' 27' ' ' GLU . 71.0 tttt -161.64 -174.0 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -177.557 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.57 ' H ' ' HG2' ' A' ' 23' ' ' LYS . 12.6 p -101.55 138.31 38.71 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.403 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -61.45 -34.09 74.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.554 177.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.465 ' HG ' ' HG3' ' A' ' 36' ' ' PRO . 1.1 tt -54.37 -46.55 73.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.889 176.469 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.596 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 1.3 tm-20 -56.76 -45.6 81.98 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.152 0.501 . . . . 0.0 110.671 179.037 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.467 ' O ' HG13 ' A' ' 32' ' ' ILE . 54.9 mt -63.88 -47.99 88.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.617 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.24 -39.47 92.94 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.032 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 30' ' ' LYS . 13.5 tmtt? -62.92 -41.08 99.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.451 178.111 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.8 t -65.53 -40.49 92.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.467 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 28' ' ' ILE . 76.5 mt -64.08 -44.53 97.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.14 0.495 . . . . 0.0 110.175 176.197 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.72 23.95 5.44 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.073 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.2 m -123.7 174.46 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.6 0.238 . . . . 0.0 110.657 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.4 m -85.6 146.49 44.22 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 120.906 0.384 . . . . 0.0 110.618 178.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.465 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 52.4 Cg_exo -54.61 -37.01 90.88 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 123.112 2.541 . . . . 0.0 113.033 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -69.8 -28.72 65.97 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.644 0.259 . . . . 0.0 111.618 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.3 m -71.64 -38.8 70.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -67.35 -37.48 83.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.456 -1.247 . . . . 0.0 109.871 175.12 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -63.37 -44.16 95.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.514 HG22 HD12 ' A' ' 46' ' ' ILE . 3.1 p -63.64 -32.16 73.55 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.603 0.239 . . . . 0.0 111.593 179.219 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.509 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 43.3 m0 -70.01 -41.68 74.0 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.237 0.541 . . . . 0.0 109.791 175.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.9 t -71.54 -15.29 62.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.981 -177.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -94.97 -4.36 46.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 120.744 0.307 . . . . 0.0 110.923 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.91 25.13 70.09 Favored Glycine 0 N--CA 1.453 -0.168 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.005 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.514 HD12 HG22 ' A' ' 41' ' ' THR . 65.8 mt -80.59 -39.4 18.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.053 0.454 . . . . 0.0 110.617 -179.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.69 156.79 42.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.67 -178.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.451 HD11 ' HA ' ' A' ' 7' ' ' LYS . 97.3 mt -115.21 126.66 27.56 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.018 177.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.509 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 83.0 Cg_endo -73.6 166.49 29.66 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.229 2.619 . . . . 0.0 112.422 -179.136 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -79.77 174.89 11.13 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.893 0.378 . . . . 0.0 111.425 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.5 tpt -53.27 -34.7 58.33 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.063 -175.304 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.95 -31.08 60.96 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.875 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.496 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 13.9 mptt -99.26 -35.77 9.86 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.846 -0.208 . . . . 0.0 110.848 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.0 t -61.69 -42.03 92.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 110.767 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -42.56 94.26 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.037 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.17 -36.9 85.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.206 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.2 mt -60.38 -51.16 70.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.088 0.47 . . . . 0.0 110.689 177.043 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.71 -22.73 62.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.019 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -77.87 -41.07 37.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.614 -179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -59.18 -40.92 87.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.083 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -90.48 -7.95 51.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.854 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.9 t30 55.93 67.66 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.672 -176.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.8 pt -136.78 -168.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.298 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.417 ' HB2' ' OD2' ' A' ' 67' ' ' ASP . 53.5 m-80 -90.94 156.14 18.2 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 175.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.709 ' H ' ' HD2' ' A' ' 65' ' ' LYS . 9.1 mptt -68.02 -36.11 79.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.41 0.624 . . . . 0.0 109.334 -178.555 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.5 p -68.46 -19.3 64.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.79 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.417 ' OD2' ' HB2' ' A' ' 64' ' ' ASN . 5.1 m-20 -65.82 -30.49 71.13 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.991 0.424 . . . . 0.0 111.021 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.4 mt -93.39 -20.72 20.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.114 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 65' ' ' LYS . 41.5 mt . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.633 -174.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.431 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.158 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -67.88 -32.92 73.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.223 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -61.97 -46.01 91.15 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.252 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.16 -42.73 88.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.279 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.2 mt -63.74 -51.29 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -57.97 -49.94 75.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.216 -178.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.2 p -65.29 -46.33 80.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.715 -175.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -67.07 -36.37 81.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.92 0.391 . . . . 0.0 110.554 -178.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -62.35 -52.29 64.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.678 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.471 ' O ' HG13 ' A' ' 18' ' ' ILE . 65.3 tp -61.15 -45.01 96.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.009 178.16 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -56.36 -37.43 70.04 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.655 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 49.2 m -62.22 -40.55 96.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.12 177.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -66.93 -45.55 77.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.645 0.26 . . . . 0.0 110.718 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 14' ' ' LEU . 63.9 mt -55.49 -51.41 57.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.282 -177.661 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.25 -26.75 62.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.02 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 16' ' ' SER . 25.4 mttp -93.67 -0.87 55.87 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -175.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.6 m -98.6 -5.33 32.13 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.788 173.606 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 52.79 47.19 25.22 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.944 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -130.89 145.59 52.06 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.7 p -84.33 160.48 20.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.993 0.425 . . . . 0.0 111.422 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -58.59 -38.47 78.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.452 0.644 . . . . 0.0 109.606 175.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -60.93 -48.81 80.09 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.418 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -61.59 -35.38 77.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 0.0 111.787 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.0 mt -74.28 -47.55 40.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.784 0.326 . . . . 0.0 110.724 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.67 -30.75 70.93 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.039 0.447 . . . . 0.0 110.754 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.12 -42.09 76.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.515 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.7 t -77.41 -32.6 54.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.994 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.446 HD11 HD23 ' A' ' 57' ' ' LEU . 62.1 mt -74.39 -44.89 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -177.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.04 39.91 2.39 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.688 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 19.7 m -133.44 159.75 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.543 0.211 . . . . 0.0 110.693 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.2 m -77.47 145.42 71.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.583 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.1 -33.29 97.2 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 123.114 2.542 . . . . 0.0 113.259 -177.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -66.48 -31.58 72.41 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.023 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.3 m -78.61 -30.0 46.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.637 0.732 . . . . 0.0 109.692 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.401 ' HA ' ' CE3' ' A' ' 42' ' ' TRP . 57.0 t80 -71.23 -35.15 71.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.934 175.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -63.32 -36.83 84.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.991 -177.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -32.36 73.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.615 0.245 . . . . 0.0 111.421 177.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.568 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 27.1 m0 -74.99 -43.93 51.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.429 0.633 . . . . 0.0 109.683 176.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.9 t -67.23 -28.41 68.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.18 -177.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.615 ' HD3' HD11 ' A' ' 46' ' ' ILE . 32.1 tttp -85.17 -2.61 58.21 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.233 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.2 31.23 64.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 113.121 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.615 HD11 ' HD3' ' A' ' 44' ' ' LYS . 61.6 mt -89.61 -37.18 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.941 0.401 . . . . 0.0 110.765 -179.242 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.5 163.16 40.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.929 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.3 mt -111.95 134.64 21.34 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.655 176.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.568 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 60.5 Cg_endo -69.95 173.72 10.73 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.507 2.138 . . . . 0.0 112.086 178.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.416 ' O ' HG23 ' A' ' 54' ' ' VAL . 57.2 ttt180 -70.19 159.29 34.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.139 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 54.1 tpp -51.18 -45.83 61.92 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -172.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.11 -39.21 96.81 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.598 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -73.48 -29.36 62.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.659 0.266 . . . . 0.0 111.095 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 50' ' ' ARG . 93.9 t -65.69 -41.2 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.225 0.536 . . . . 0.0 109.645 173.197 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -63.2 -35.02 78.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.891 176.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.81 -35.91 82.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 110.732 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.446 HD23 HD11 ' A' ' 32' ' ' ILE . 77.7 mt -64.61 -51.96 59.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.396 176.302 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.99 82.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.821 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.76 -45.98 92.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.019 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -67.33 -31.13 71.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.183 -175.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -89.68 -5.0 57.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.919 0.39 . . . . 0.0 110.667 176.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.5 t30 59.18 52.34 6.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.672 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.7 pt -135.77 -171.49 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.124 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -102.35 159.84 15.06 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 176.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -65.9 -28.78 69.19 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -59.17 -25.65 64.1 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.288 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -76.1 -24.63 55.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.404 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.7 mt -94.49 -43.4 8.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.338 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.5 mm . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.258 -175.171 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.562 ' O ' HG13 ' A' ' 9' ' ' ILE . 52.0 tttm . . . . . 0 C--O 1.228 -0.041 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.535 ' HA ' HD12 ' A' ' 9' ' ' ILE . 6.6 tp-100 -55.79 -35.73 66.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.55 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -66.65 -35.65 80.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.021 0.438 . . . . 0.0 110.756 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.02 -34.05 59.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.543 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 5' ' ' LYS . 77.9 mt -60.4 -50.84 78.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.213 177.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -53.91 -45.11 71.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.235 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.4 t -61.23 -52.55 64.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.889 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.19 -53.32 59.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.497 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -64.42 -44.16 92.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.581 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.553 ' HG ' HD11 ' A' ' 18' ' ' ILE . 42.3 tp -61.24 -47.84 84.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.532 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -57.98 -35.81 71.72 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.812 -178.155 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 m -61.42 -42.24 98.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -77.62 -37.19 50.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.124 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.553 HD11 ' HG ' ' A' ' 14' ' ' LEU . 79.7 mt -57.71 -50.05 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.768 0.318 . . . . 0.0 110.902 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.08 -34.24 77.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.501 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -79.08 -26.39 43.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.732 -178.104 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.7 t -78.64 -33.26 47.35 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 173.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 65.07 28.45 12.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.275 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -96.65 145.25 25.94 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 167.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.2 p -71.53 156.53 39.32 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.594 -174.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -57.82 -35.52 70.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.288 0.566 . . . . 0.0 109.843 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.0 mt -61.35 -49.87 75.21 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.739 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -61.04 -43.19 99.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.746 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.524 ' O ' HG12 ' A' ' 32' ' ' ILE . 63.9 mt -64.68 -47.09 90.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.715 178.763 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.17 87.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.771 0.319 . . . . 0.0 110.685 178.421 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -58.81 -42.08 88.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.635 175.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -67.82 -40.71 83.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.808 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 28' ' ' ILE . 46.2 mm -69.3 -43.14 81.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.124 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.89 26.19 4.81 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.231 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.5 m -129.58 164.48 32.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.683 0.278 . . . . 0.0 110.558 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.3 m -71.88 144.15 87.62 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.269 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.77 -30.45 92.05 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 123.068 2.512 . . . . 0.0 112.505 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.473 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 44.2 mt-30 -75.2 -22.91 57.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.813 0.339 . . . . 0.0 111.32 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 m -77.61 -37.0 51.18 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.63 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -62.51 -35.09 78.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.707 173.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASN . . . . . 0.473 ' HB3' ' O ' ' A' ' 37' ' ' GLN . 2.8 t30 -54.07 -48.28 70.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.898 178.392 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 p -67.56 -24.22 65.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.725 0.298 . . . . 0.0 111.673 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.534 ' CE2' ' HB3' ' A' ' 49' ' ' PRO . 49.3 m0 -79.85 -47.79 14.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.28 0.562 . . . . 0.0 110.036 177.456 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 46.6 t -64.15 -29.11 70.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.054 -177.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -80.46 -8.19 59.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.586 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.22 37.25 80.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.962 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.6 mt -89.07 -39.32 12.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.53 147.41 27.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.199 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.6 mt -100.22 127.14 34.01 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.276 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.534 ' HB3' ' CE2' ' A' ' 42' ' ' TRP . 56.9 Cg_endo -68.64 174.46 8.46 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 123.017 2.478 . . . . 0.0 112.632 -178.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -75.91 153.52 36.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.855 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -50.95 -30.5 15.06 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.15 -47.53 60.75 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 121.439 -0.41 . . . . 0.0 113.184 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -89.35 -23.49 22.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.881 0.341 . . . . 0.0 111.191 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.421 HG22 ' HG2' ' A' ' 49' ' ' PRO . 98.5 t -62.79 -44.36 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.025 0.44 . . . . 0.0 110.192 176.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.472 ' OE1' ' HE2' ' A' ' 65' ' ' LYS . 51.7 tp60 -65.18 -32.59 74.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.0 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.53 -43.16 90.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.668 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.4 mt -59.17 -51.06 71.62 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.591 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.37 94.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.211 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -68.85 -36.49 78.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -61.17 -38.98 88.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.839 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -90.4 3.53 53.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.777 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 54.18 48.23 21.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.387 -177.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.3 pt -122.93 -172.24 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.234 176.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -101.65 160.33 14.55 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.629 ' O ' HG13 ' A' ' 69' ' ' ILE . 20.0 ptpt -58.31 -30.81 66.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.242 0.544 . . . . 0.0 109.598 177.381 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 m -60.26 -29.28 68.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.355 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.61 -28.95 70.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.137 0.494 . . . . 0.0 110.77 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.9 mt -95.14 -20.86 18.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.404 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.629 HG13 ' O ' ' A' ' 65' ' ' LYS . 24.6 mt . . . . . 0 C--N 1.33 -0.269 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -174.198 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.463 ' NZ ' ' HB2' ' A' ' 5' ' ' LYS . 4.7 ttmp? . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 121.126 0.489 . . . . 0.0 110.479 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -59.5 -34.9 73.17 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.422 176.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.595 ' HG2' HG13 ' A' ' 48' ' ' ILE . 64.5 mttp -71.13 -29.05 64.76 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.316 -178.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.91 -39.84 75.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.049 0.452 . . . . 0.0 110.079 177.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.7 mt -67.06 -44.44 88.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.896 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.558 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 89.5 t80 -55.34 -53.71 52.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.136 178.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 p -65.14 -46.15 82.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.753 -176.77 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -60.22 -42.31 94.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.632 0.253 . . . . 0.0 111.064 -177.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -63.86 -43.49 95.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.455 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 18' ' ' ILE . 31.2 tp -59.74 -51.37 70.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.585 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -55.98 -45.18 79.03 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.911 0.386 . . . . 0.0 111.303 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.8 m -60.15 -42.09 94.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.982 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -74.44 -38.79 62.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.83 0.348 . . . . 0.0 111.073 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.527 HG21 ' HG2' ' A' ' 25' ' ' GLN . 80.6 mt -67.89 -47.27 79.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.238 -178.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.09 -25.08 65.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.787 0.327 . . . . 0.0 111.366 -177.125 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -81.42 -20.98 39.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.195 0.522 . . . . 0.0 110.396 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.9 t -82.15 160.49 23.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.298 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.6 -34.59 58.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.365 -178.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -76.52 150.19 36.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.513 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.0 p -88.88 171.93 9.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.292 0.568 . . . . 0.0 111.731 -176.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.527 ' HG2' HG21 ' A' ' 18' ' ' ILE . 45.3 mt-30 -54.79 -37.1 65.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.298 173.874 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.87 -38.75 83.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.529 -178.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.79 -49.55 70.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.783 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.447 ' O ' HG13 ' A' ' 32' ' ' ILE . 62.5 mt -62.49 -44.03 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 -178.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.72 93.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.878 0.37 . . . . 0.0 111.061 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -68.27 -38.39 81.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.744 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.7 t -61.22 -43.08 99.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.271 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 28' ' ' ILE . 64.5 mt -69.56 -44.69 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.309 177.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.95 31.32 2.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.304 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.441 ' CG1' ' HD3' ' A' ' 53' ' ' LYS . 34.7 m -119.81 157.05 22.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.771 0.319 . . . . 0.0 110.544 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.6 m -69.44 144.31 94.3 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.773 176.314 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.87 -26.39 67.27 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.128 1.886 . . . . 0.0 111.903 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -64.54 -44.2 91.59 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 121.001 0.429 . . . . 0.0 110.676 175.509 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 m -69.03 -42.94 75.69 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.576 0.703 . . . . 0.0 109.269 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.92 -38.68 83.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.969 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -65.16 -45.01 86.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.904 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.404 HG22 HD12 ' A' ' 46' ' ' ILE . 26.5 p -64.22 -25.8 68.23 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.438 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.445 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 50.5 m0 -75.75 -45.98 33.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.203 0.525 . . . . 0.0 109.812 174.488 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 t -71.21 -18.78 62.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.037 -176.138 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -91.6 -3.99 55.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.313 176.136 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.26 29.08 66.89 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.563 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.404 HD12 HG22 ' A' ' 41' ' ' THR . 67.2 mt -84.52 -40.69 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.035 0.445 . . . . 0.0 110.361 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.68 154.95 38.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.18 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.595 HG13 ' HG2' ' A' ' 7' ' ' LYS . 73.3 mt -114.85 129.84 24.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.365 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.445 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 40.7 Cg_endo -65.57 -170.42 0.17 Allowed 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.066 2.51 . . . . 0.0 112.802 -178.557 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.576 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 3.6 mmp_? -87.64 162.45 17.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.201 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.6 ptp -53.57 -34.42 58.27 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.545 0.528 . . . . 0.0 112.183 -171.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.81 -40.64 98.63 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.489 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.441 ' HD3' ' CG1' ' A' ' 34' ' ' VAL . 14.8 ttmt -84.39 -29.35 26.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.775 0.321 . . . . 0.0 110.225 -177.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.418 ' HA ' HD12 ' A' ' 57' ' ' LEU . 90.5 t -63.78 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 171.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.88 -37.58 87.48 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.153 175.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.59 87.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.751 0.31 . . . . 0.0 111.04 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 54' ' ' VAL . 81.5 mt -62.8 -51.54 66.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.378 176.408 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.8 74.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.786 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.88 -42.17 97.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.743 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -64.28 -38.06 89.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.961 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.503 ' HB2' HG12 ' A' ' 63' ' ' ILE . 90.7 m-85 -92.65 -4.28 53.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.7 t30 61.91 27.5 16.72 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.559 0.695 . . . . 0.0 110.789 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.503 HG12 ' HB2' ' A' ' 61' ' ' PHE . 35.0 pt -107.93 -171.67 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.667 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -95.71 152.94 18.01 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -62.91 -29.08 70.5 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.098 0.475 . . . . 0.0 109.981 176.032 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.3 p -68.03 -24.85 65.15 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.142 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.92 -24.62 67.08 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.841 0.353 . . . . 0.0 111.173 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.558 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 91.1 mt -93.63 -20.91 19.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.898 0.38 . . . . 0.0 111.031 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.8 mm . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -172.515 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.3 mttt . . . . . 0 N--CA 1.46 0.061 0 N-CA-C 111.488 0.181 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -56.64 -37.08 70.26 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.062 0.458 . . . . 0.0 110.288 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -64.32 -45.13 89.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.37 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.29 -45.04 64.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.453 -177.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.0 mt -63.68 -46.28 95.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.892 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -59.06 -45.12 91.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.955 0.407 . . . . 0.0 110.225 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.548 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 45.6 t -60.43 -53.75 53.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.942 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.83 -46.13 90.84 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.229 -176.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -62.5 -57.33 11.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.758 -176.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 17' ' ' TYR . 61.9 tp -61.38 -39.26 90.02 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.948 -177.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.548 ' HB2' ' O ' ' A' ' 11' ' ' SER . 6.5 t-20 -58.19 -35.87 72.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.512 -179.132 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -66.4 -42.4 87.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.443 -177.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.401 ' HD2' ' HA ' ' A' ' 14' ' ' LEU . 83.8 m-85 -65.35 -42.03 93.28 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.055 0.455 . . . . 0.0 109.921 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.7 mt -67.25 -39.5 83.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.194 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.86 -29.54 67.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.003 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -81.64 -33.9 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.955 0.407 . . . . 0.0 110.47 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.8 m -66.8 145.08 55.88 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.234 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -75.95 -24.16 55.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.095 0.474 . . . . 0.0 110.219 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -77.12 134.31 38.75 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.638 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.4 p -82.19 177.27 8.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.774 -174.097 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -55.32 -37.4 67.35 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.468 174.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.45 -50.34 63.68 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.71 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -64.27 -37.21 86.68 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.818 -175.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.19 -49.41 67.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.719 0.295 . . . . 0.0 110.316 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.59 80.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -57.29 -39.16 75.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.454 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.4 t -79.33 -25.16 42.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.963 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.3 mt -82.44 -44.75 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 110.656 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.81 4.12 15.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.3 m -100.18 156.14 4.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.4 m -69.74 149.01 96.76 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.794 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.92 -35.55 80.52 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.785 2.323 . . . . 0.0 112.257 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -66.22 -31.28 72.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.415 178.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.8 m -72.54 -44.91 61.5 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -65.87 -34.63 78.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.243 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -58.06 -43.82 87.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.971 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.4 p -63.8 -31.2 72.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.73 0.3 . . . . 0.0 111.296 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -74.1 -43.72 56.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.064 0.459 . . . . 0.0 110.203 177.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.67 -36.43 80.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.591 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.552 ' HB3' HG13 ' A' ' 46' ' ' ILE . 3.9 tmtm? -75.25 -11.99 60.19 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 176.196 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.54 ' HA3' ' HB2' ' A' ' 11' ' ' SER . . . 69.78 38.93 76.82 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.63 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.552 HG13 ' HB3' ' A' ' 44' ' ' LYS . 80.5 mt -84.68 -42.15 16.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.089 0.471 . . . . 0.0 110.227 178.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.16 153.81 36.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.644 -178.286 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 98.7 mt -103.27 127.29 30.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.722 176.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -68.23 179.18 3.05 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.443 2.762 . . . . 0.0 113.01 -177.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.411 ' O ' HG23 ' A' ' 54' ' ' VAL . 30.1 mmt180 -79.39 161.47 26.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.28 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.4 ptp -53.7 -33.61 56.05 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.59 0.556 . . . . 0.0 112.085 -175.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.31 -37.07 94.27 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.754 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -89.21 -27.22 20.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.727 -0.278 . . . . 0.0 110.947 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 50' ' ' ARG . 87.3 t -63.64 -40.36 88.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 172.368 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -60.31 -38.88 85.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.262 175.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.81 94.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.077 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.28 -49.4 77.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.394 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.15 -32.82 74.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.157 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -72.72 -41.4 65.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.656 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -59.95 -44.94 94.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.184 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -87.38 -9.55 54.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.257 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.8 t30 59.14 57.61 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.768 0.794 . . . . 0.0 110.233 -176.261 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.5 pt -133.64 178.23 5.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.914 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -96.3 168.87 10.31 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -64.85 -32.23 73.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.243 0.544 . . . . 0.0 110.128 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.5 m -73.89 -20.98 60.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.51 -177.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.73 -23.98 67.42 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.729 0.299 . . . . 0.0 111.332 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -94.06 -19.9 20.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.255 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 66.9 mt . . . . . 0 C--N 1.327 -0.383 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -171.815 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.389 0.137 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.8 t 60.38 66.72 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 121.756 0.789 . . . . 0.0 109.659 -172.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.28 141.84 51.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.831 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.49 126.12 30.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.994 0.426 . . . . 0.0 110.663 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.476 ' O ' HG13 ' A' ' 9' ' ' ILE . 50.1 tptt -67.16 -34.38 77.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.083 -175.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -59.68 -49.32 78.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.664 -0.243 . . . . 0.0 110.847 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.979 ' HG2' HG13 ' A' ' 48' ' ' ILE . 33.1 mtmm -63.26 -30.16 71.35 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.167 -0.213 . . . . 0.0 111.35 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.26 -31.12 65.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.881 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 5' ' ' LYS . 86.4 mt -76.3 -49.24 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.765 0.317 . . . . 0.0 110.194 176.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -53.53 -49.11 68.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.931 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.1 p -65.56 -42.36 91.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.758 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.56 ' HG3' ' HE2' ' A' ' 72' ' ' LYS . 22.6 tp10 -55.95 -48.71 75.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.402 . . . . 0.0 110.673 178.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -67.91 -48.0 67.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.228 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.01 -48.21 82.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.761 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -58.48 -32.37 68.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.385 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.445 ' O ' ' HD2' ' A' ' 20' ' ' LYS . 38.4 m -59.18 -48.58 81.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.755 0.312 . . . . 0.0 110.41 177.579 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -69.43 -40.37 77.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.037 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.15 -47.05 94.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.52 -7.22 50.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.612 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HD2' ' O ' ' A' ' 16' ' ' SER . 0.6 OUTLIER -90.38 -11.59 40.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.11 0.481 . . . . 0.0 110.067 175.301 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.9 t -99.76 159.11 15.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.751 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -100.94 4.39 42.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.862 0.363 . . . . 0.0 110.456 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -87.95 134.3 33.75 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.617 173.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.7 p -71.99 165.27 24.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.169 0.509 . . . . 0.0 111.794 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -56.52 -36.66 69.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.142 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.14 -29.26 68.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.704 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -70.59 -52.85 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.807 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.3 mt -63.68 -36.9 78.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.978 -176.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.85 -40.89 73.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.045 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -70.48 -38.47 74.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.87 0.367 . . . . 0.0 110.764 -177.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -65.36 -38.14 89.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.818 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.1 mm -72.56 -44.58 60.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.243 178.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.83 37.43 1.55 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.056 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.3 m -130.89 176.43 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.75 0.31 . . . . 0.0 110.452 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.3 m -94.04 152.53 40.51 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.18 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.24 -35.37 95.51 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.901 2.401 . . . . 0.0 112.741 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -67.01 -31.2 71.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.209 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.8 m -72.66 -39.1 67.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.359 0.6 . . . . 0.0 109.564 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -71.23 -34.78 71.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.174 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -59.46 -42.75 92.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.77 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.3 p -70.71 -27.63 64.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.596 0.236 . . . . 0.0 111.178 -177.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.532 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 50.1 m0 -69.72 -45.0 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.114 0.483 . . . . 0.0 109.858 175.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.9 t -67.59 -27.28 66.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.894 -177.399 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -88.72 -0.07 56.96 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.334 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.06 34.4 89.82 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 121.247 -0.501 . . . . 0.0 113.143 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.1 mt -89.52 -33.63 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.018 0.437 . . . . 0.0 110.354 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.55 151.24 33.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -177.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.979 HG13 ' HG2' ' A' ' 7' ' ' LYS . 71.0 mt -107.73 126.99 28.6 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.86 174.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.532 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 29.2 Cg_endo -62.15 166.42 12.72 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 123.111 2.541 . . . . 0.0 112.146 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -75.61 170.13 16.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.173 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 58.2 ttp -53.68 -39.13 64.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.853 -174.493 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.9 -29.81 71.52 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.833 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.512 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 50.6 mttp -94.38 -33.89 12.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.836 -0.214 . . . . 0.0 111.457 -178.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.6 t -62.41 -44.12 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.225 0.536 . . . . 0.0 109.818 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -64.13 -38.31 90.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.385 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.71 -41.27 98.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.883 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 53' ' ' LYS . 97.3 mt -60.58 -52.03 66.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.53 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.64 88.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.237 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -65.96 -35.7 81.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.874 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -74.71 -34.53 62.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.244 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -86.23 -5.52 59.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.91 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 59.62 55.53 4.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.57 0.7 . . . . 0.0 109.846 -174.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.6 pt -138.2 175.99 7.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.758 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -93.61 147.49 22.96 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -61.37 -29.95 70.23 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.041 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.7 m -59.7 -28.08 67.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.379 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -68.94 -24.42 64.27 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.835 0.35 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.3 mt -93.62 -23.67 18.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.335 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.4 mm -88.79 -42.23 14.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.641 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -87.3 149.95 24.2 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 120.824 0.345 . . . . 0.0 111.123 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.473 ' OD1' ' HG2' ' A' ' 73' ' ' LYS . 10.5 t70 -67.09 153.69 43.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.783 -174.8 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.56 ' HE2' ' HG3' ' A' ' 12' ' ' GLU . 53.5 mtmt -78.83 41.53 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.146 0.498 . . . . 0.0 111.296 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.473 ' HG2' ' OD1' ' A' ' 71' ' ' ASP . 49.7 mmtm -83.68 46.93 1.21 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.927 176.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.3 mt -70.47 74.6 0.55 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.37 -173.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -117.75 105.86 12.43 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 169.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 43.0 mm -57.87 128.29 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.353 0.597 . . . . 0.0 111.542 -173.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -140.3 124.65 17.81 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 178.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -42.89 125.56 3.52 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 124.603 1.19 . . . . 0.0 112.274 -171.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.8 p -118.67 88.38 34.7 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.056 -174.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.69 120.34 8.18 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.391 2.061 . . . . 0.0 111.494 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.7 tt -128.49 141.05 47.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.993 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -82.38 67.68 8.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.241 0.543 . . . . 0.0 111.0 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.7 p -172.99 178.56 2.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.454 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -93.75 59.57 2.12 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.049 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -96.47 149.04 22.18 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.7 t -78.12 137.59 38.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.034 0.445 . . . . 0.0 111.28 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -139.52 147.52 41.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.603 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -113.69 162.54 16.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.999 0.428 . . . . 0.0 111.83 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -134.4 146.85 50.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.844 176.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -104.23 -71.49 0.73 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.004 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 67.99 102.19 0.05 Allowed 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.814 0.697 . . . . 0.0 112.115 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -142.44 132.12 24.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.0 172.555 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -79.07 111.17 15.01 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.319 0.581 . . . . 0.0 110.313 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 . . . . . 0 C--O 1.248 0.977 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.539 -177.521 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.904 ' HG2' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.904 HG23 ' HG2' ' A' ' 1' ' ' MET . 21.1 t 71.83 9.46 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 121.669 0.747 . . . . 0.0 110.925 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -91.84 143.79 26.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.967 -0.458 . . . . 0.0 110.895 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -136.04 164.44 28.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.743 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' O ' HG13 ' A' ' 9' ' ' ILE . 22.6 tptm -61.95 -47.3 85.48 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.983 0.177 . . . . 0.0 111.101 -177.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.8 -44.31 81.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.248 0.547 . . . . 0.0 110.42 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -61.9 -40.94 97.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.791 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.79 -47.61 74.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.003 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 5' ' ' LYS . 68.2 mt -60.35 -49.11 85.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.839 0.352 . . . . 0.0 110.94 -179.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.11 -48.6 81.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.132 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.424 ' HB3' ' CA ' ' A' ' 45' ' ' GLY . 19.9 p -65.76 -42.1 91.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.261 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -57.21 -45.88 83.43 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 120.537 0.208 . . . . 0.0 111.373 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.08 -57.8 6.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.567 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.0 tp -55.21 -46.02 75.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.189 -175.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.06 -42.37 97.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.711 -176.284 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -65.9 -35.54 80.92 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -70.91 -48.95 50.86 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.115 0.483 . . . . 0.0 109.924 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.71 -47.17 92.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.273 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.42 -10.18 59.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.847 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -73.39 -34.38 65.5 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.0 t -82.08 169.39 16.73 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.741 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -100.87 18.46 19.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.218 0.532 . . . . 0.0 110.801 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -89.75 159.16 17.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.582 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.8 p -95.74 153.99 17.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.661 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -40.93 82.68 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.381 0.61 . . . . 0.0 109.587 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.717 HD22 ' HE3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -56.57 -46.09 80.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.754 -1.112 . . . . 0.0 111.385 -179.384 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.96 -44.8 91.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.035 0.445 . . . . 0.0 110.845 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.8 mt -67.42 -38.66 81.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.05 93.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.87 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.717 ' HE3' HD22 ' A' ' 26' ' ' LEU . 99.8 mttt -60.77 -35.35 76.19 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.984 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.7 m -69.18 -31.46 70.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.957 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.1 mm -84.36 -44.7 17.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.482 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.85 -12.23 7.76 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.945 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.1 m -88.78 167.06 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.1 0.476 . . . . 0.0 111.121 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.3 m -92.16 149.28 38.35 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.989 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -52.48 -27.97 34.11 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.9 2.4 . . . . 0.0 112.704 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -56.77 -48.07 78.7 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.193 0.521 . . . . 0.0 110.73 173.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 m -70.69 -40.77 72.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.087 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -61.95 -34.92 76.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.264 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -61.66 -42.18 98.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.49 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.4 p -67.55 -22.18 65.42 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.174 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.476 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 51.6 m0 -79.39 -45.2 20.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.172 0.51 . . . . 0.0 109.848 175.302 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.3 t -67.06 -35.91 80.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.261 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -85.92 1.16 51.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.419 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.424 ' CA ' ' HB3' ' A' ' 11' ' ' SER . . . 60.86 48.61 85.38 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.013 179.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.8 mt -104.04 -38.85 5.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.231 0.539 . . . . 0.0 110.043 178.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.79 156.37 48.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.303 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.8 mt -123.93 128.71 25.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.351 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.476 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 74.2 Cg_endo -72.61 159.26 49.22 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 123.227 2.618 . . . . 0.0 112.357 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.428 ' O ' HG23 ' A' ' 54' ' ' VAL . 92.7 mtt180 -96.26 179.5 5.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.993 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 96.9 mmm -50.82 -41.15 57.19 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.701 0.626 . . . . 0.0 112.622 -171.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.29 -34.52 48.16 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.447 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -101.01 -27.15 13.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.1 0.45 . . . . 0.0 111.051 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 50' ' ' ARG . 80.5 t -62.47 -39.36 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.548 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -62.98 -32.27 73.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.276 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.1 -43.99 66.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.848 0.356 . . . . 0.0 110.485 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.21 -45.82 86.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.804 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.29 -28.6 69.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.445 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -78.69 -38.2 39.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.96 0.409 . . . . 0.0 110.468 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -62.94 -36.13 82.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.719 -176.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -101.99 -7.42 22.38 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.532 177.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 51.93 71.27 0.47 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.786 0.803 . . . . 0.0 110.919 -173.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.4 pt -137.16 -179.85 3.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.058 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -95.15 155.39 16.75 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.42 ' O ' HG13 ' A' ' 69' ' ' ILE . 60.1 pttt -60.24 -32.77 71.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.92 0.391 . . . . 0.0 110.287 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.0 m -66.73 -26.56 67.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.626 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -62.05 -25.62 67.79 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.956 0.408 . . . . 0.0 111.418 -177.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.8 mt -94.67 -20.47 19.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.268 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 65' ' ' LYS . 63.9 mt -97.28 -31.26 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -170.509 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.54 148.43 48.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.65 0.738 . . . . 0.0 112.758 -172.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -82.67 109.68 17.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.163 175.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -85.42 14.35 5.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.047 0.451 . . . . 0.0 111.108 -173.608 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -101.9 19.48 18.26 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.204 0.526 . . . . 0.0 110.62 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.7 mt -76.36 80.14 3.1 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.843 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -59.81 113.16 2.13 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.574 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.779 HD12 ' H ' ' A' ' 76' ' ' ILE . 4.2 mp -65.24 157.54 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.433 176.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.4 79.0 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.596 0.713 . . . . 0.0 111.408 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.641 ' O ' ' HD3' ' A' ' 80' ' ' PRO . 3.6 m -108.23 158.4 17.49 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.668 -1.151 . . . . 0.0 109.194 174.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.9 t -106.38 88.54 3.34 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.596 0.236 . . . . 0.0 110.719 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.641 ' HD3' ' O ' ' A' ' 78' ' ' THR . 8.1 Cg_exo -71.6 134.84 24.97 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.894 2.396 . . . . 0.0 111.898 -179.276 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.2 tt -92.54 133.61 33.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.427 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.67 ' HG2' ' H ' ' A' ' 83' ' ' SER . 16.9 tt0 66.46 -177.25 0.19 Allowed 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.077 -178.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.67 ' H ' ' HG2' ' A' ' 82' ' ' GLU . 34.2 m 69.91 -175.12 0.19 Allowed 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.016 0.526 . . . . 0.0 111.281 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -108.8 157.32 15.25 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.304 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -112.82 129.16 56.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.748 0.309 . . . . 0.0 110.639 -177.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.1 p -93.55 119.59 32.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.155 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 61.8 tp -91.18 107.98 19.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.541 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.91 -178.42 6.01 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 177.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -141.95 135.88 29.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.737 0.304 . . . . 0.0 110.634 -176.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -93.33 122.05 35.34 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -84.19 146.06 28.03 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.805 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -63.2 141.49 58.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.905 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -51.35 -62.24 1.74 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.235 0.54 . . . . 0.0 110.473 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.247 0.931 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 172.558 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ptm . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.923 0.392 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 p -90.15 106.71 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.58 0.705 . . . . 0.0 110.613 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -88.23 -29.88 20.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.515 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.464 ' CB ' ' HE2' ' A' ' 7' ' ' LYS . 18.2 m-20 -121.92 99.0 6.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.35 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -68.04 -50.9 52.47 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.416 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -66.89 -31.9 72.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.936 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HA ' HD11 ' A' ' 48' ' ' ILE . 35.7 ttpt -71.08 -40.48 71.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.694 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.9 92.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.804 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.5 mt -68.3 -49.63 64.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.209 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.546 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 80.7 t80 -56.45 -47.37 79.27 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.913 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.1 t -62.21 -49.43 75.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.677 -178.043 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -65.12 -38.61 91.23 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.865 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.437 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 62.3 m-20 -58.16 -52.98 63.29 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.66 177.527 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 18' ' ' ILE . 64.6 tp -64.31 -48.22 76.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.871 -179.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -63.49 -33.84 76.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.346 -174.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.9 m -64.72 -39.44 93.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.626 0.25 . . . . 0.0 111.032 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -68.71 -35.75 77.57 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 14' ' ' LEU . 65.3 mt -65.81 -45.35 91.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.1 0.476 . . . . 0.0 110.453 177.602 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.63 -31.89 71.36 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.283 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -76.32 -33.96 59.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.194 0.521 . . . . 0.0 110.31 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.0 t -72.29 164.91 25.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.399 176.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -82.31 -31.73 29.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.193 0.52 . . . . 0.0 110.313 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.479 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -70.29 148.33 48.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.355 -173.9 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.464 ' OG1' ' HG2' ' A' ' 27' ' ' GLU . 51.5 p -89.21 165.99 14.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.262 -176.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -53.19 -40.61 64.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.429 174.312 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -42.94 77.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.836 -1.074 . . . . 0.0 110.753 -176.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' HG2' ' OG1' ' A' ' 24' ' ' THR . 58.5 mm-40 -57.91 -43.86 86.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.192 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.536 ' O ' HG12 ' A' ' 32' ' ' ILE . 62.7 mt -66.05 -45.07 91.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.715 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.52 82.34 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.013 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -57.99 -45.6 86.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.432 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -75.67 -30.72 59.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.611 -176.173 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.536 HG12 ' O ' ' A' ' 28' ' ' ILE . 48.3 mm -72.28 -44.56 63.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 121.017 0.436 . . . . 0.0 110.145 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.41 19.47 7.93 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.136 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.4 m -115.72 159.23 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.855 0.36 . . . . 0.0 110.394 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.6 m -75.83 143.18 74.28 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.146 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -58.22 -29.58 88.06 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.912 2.408 . . . . 0.0 112.862 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -65.09 -35.01 79.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.9 0.381 . . . . 0.0 110.959 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.1 m -75.9 -37.57 58.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.456 0.646 . . . . 0.0 109.411 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -64.74 -35.58 81.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.768 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.19 -44.74 94.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.367 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.41 HG22 HD12 ' A' ' 46' ' ' ILE . 11.5 p -64.68 -22.14 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -178.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.566 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 45.1 m0 -76.61 -43.77 37.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.247 0.546 . . . . 0.0 109.608 175.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 43.8 t -67.38 -32.17 72.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.402 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -83.86 -0.12 49.9 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.3 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.48 30.77 77.1 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.83 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.41 HD12 HG22 ' A' ' 41' ' ' THR . 71.1 mt -89.01 -42.84 14.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.784 0.326 . . . . 0.0 110.53 -178.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.5 153.91 44.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.236 -177.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.566 HD11 ' HA ' ' A' ' 7' ' ' LYS . 89.7 mt -108.6 129.09 24.42 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.567 175.805 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.566 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 41.5 Cg_endo -64.93 159.28 46.91 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.71 2.274 . . . . 0.0 112.099 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -63.22 156.22 26.02 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.2 ttm -50.2 -40.12 46.17 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.43 0.456 . . . . 0.0 112.184 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.33 -29.95 70.09 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.078 -0.582 . . . . 0.0 113.0 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.711 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -85.32 -34.87 21.76 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.543 -0.387 . . . . 0.0 110.648 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.69 -41.49 88.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.36 0.6 . . . . 0.0 109.76 175.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -61.4 -39.0 89.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.545 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.57 -40.94 93.35 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.754 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.04 -51.2 67.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.443 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.62 -34.41 76.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.668 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.94 -42.0 90.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.291 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -64.33 -36.74 85.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.894 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.445 ' HB2' HG12 ' A' ' 63' ' ' ILE . 73.5 m-85 -84.79 -12.36 53.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.505 177.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.3 t30 62.32 34.27 15.91 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.728 0.775 . . . . 0.0 110.059 -177.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.445 HG12 ' HB2' ' A' ' 61' ' ' PHE . 41.5 pt -111.97 -173.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.054 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -92.62 146.47 23.64 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -68.38 -29.53 68.25 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.64 ' O ' ' HG3' ' A' ' 70' ' ' GLU . 51.0 m -59.63 -32.12 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.537 177.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.16 -24.46 66.31 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.985 0.421 . . . . 0.0 111.307 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.546 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 70.8 mt -90.88 -21.16 21.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.323 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.1 mt -91.03 -49.33 13.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.953 -173.573 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.64 ' HG3' ' O ' ' A' ' 66' ' ' SER . 1.4 pp20? -75.53 151.79 37.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.403 0.62 . . . . 0.0 112.075 -173.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.99 132.68 46.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.373 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.434 ' HZ3' ' HB2' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -99.51 6.71 45.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -172.53 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -88.88 31.08 0.87 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.644 0.735 . . . . 0.0 110.315 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.1 mt -78.23 72.8 4.78 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.961 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -154.52 144.76 22.0 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 176.27 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.9 mm -65.14 130.55 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.454 0.645 . . . . 0.0 112.214 -171.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -166.35 112.76 0.85 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.7 -1.136 . . . . 0.0 108.672 176.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.9 t -76.26 140.37 41.54 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.0 t -126.66 87.57 56.19 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.186 -175.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.07 109.01 0.85 Allowed 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.448 2.099 . . . . 0.0 110.831 173.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.616 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.0 mp -77.85 131.83 33.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.765 -175.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -86.72 87.51 7.47 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 174.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.1 t -77.13 122.67 25.32 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.699 -175.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.07 -77.97 1.14 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.808 176.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -153.08 155.18 36.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.815 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.8 p -112.45 115.87 29.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.682 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 88.9 mt -88.54 134.23 33.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.146 0.498 . . . . 0.0 111.471 -176.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.427 ' H ' ' HG2' ' A' ' 88' ' ' GLU . 7.1 pt-20 -70.35 138.33 51.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.961 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -97.19 84.81 3.56 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -169.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.5 t60 54.97 88.49 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 O-C-N 123.529 0.518 . . . . 0.0 112.052 168.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -91.57 -36.02 13.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -172.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.5 m170 61.33 -87.51 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -169.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -144.01 22.44 1.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.046 0.45 . . . . 0.0 111.181 172.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.406 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 6.5 p80 . . . . . 0 C--O 1.248 0.995 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.315 168.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 121.297 0.57 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.4 m -112.59 129.9 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.475 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -103.56 -17.57 15.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.163 -175.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -149.65 147.13 27.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.707 -175.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.474 ' O ' HG13 ' A' ' 9' ' ' ILE . 43.3 mtpt -60.21 -43.4 96.01 Favored 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -177.473 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -62.87 -35.58 80.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.857 0.361 . . . . 0.0 110.622 -176.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.41 ' HE2' ' O ' ' A' ' 45' ' ' GLY . 51.6 mtpt -71.43 -34.94 70.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.011 0.434 . . . . 0.0 110.471 178.451 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.09 -43.04 55.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.327 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 5' ' ' LYS . 76.2 mt -61.71 -42.17 93.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.323 178.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -59.95 -48.61 80.99 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.852 0.358 . . . . 0.0 111.096 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -67.92 -38.52 83.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.06 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.14 -42.33 89.24 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.481 ' OD1' ' HE3' ' A' ' 72' ' ' LYS . 75.1 m-20 -58.98 -50.15 75.17 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.527 175.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 tp -55.53 -46.72 77.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.148 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -58.75 -36.79 74.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.57 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.8 m -55.33 -52.35 63.77 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.095 0.474 . . . . 0.0 110.997 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -76.34 -31.98 58.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.008 -172.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.433 HG21 ' HG2' ' A' ' 25' ' ' GLN . 80.9 mt -73.31 -45.07 53.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.836 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.63 -22.14 61.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -80.03 -39.91 28.87 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.9 m -73.72 173.58 9.61 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.982 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -103.33 -21.73 13.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.755 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.65 ' HE2' ' HG3' ' A' ' 27' ' ' GLU . 8.1 tptm -78.14 145.23 35.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.518 -174.243 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.442 ' O ' HG13 ' A' ' 28' ' ' ILE . 29.1 p -74.21 157.72 35.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.639 -176.221 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.433 ' HG2' HG21 ' A' ' 18' ' ' ILE . 47.0 mt-30 -63.46 -36.98 85.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.876 177.421 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.41 -46.98 85.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.362 175.603 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.65 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 6.5 mm-40 -59.76 -45.18 93.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.154 178.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.63 ' O ' HG12 ' A' ' 32' ' ' ILE . 72.3 mt -60.13 -52.2 64.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.526 178.439 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.86 78.89 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.549 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -62.56 -44.73 95.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.974 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.7 m -75.63 -21.32 57.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.271 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.63 HG12 ' O ' ' A' ' 28' ' ' ILE . 39.8 mm -72.87 -44.01 58.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.217 0.532 . . . . 0.0 109.671 172.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 113.83 31.42 2.31 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.031 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.3 m -136.59 176.01 8.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.887 0.375 . . . . 0.0 110.518 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.2 m -89.83 150.44 43.87 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.892 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.99 -24.39 65.07 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.761 2.307 . . . . 0.0 111.95 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.64 -48.52 77.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.78 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.1 m -70.03 -31.62 69.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.633 0.73 . . . . 0.0 110.033 -177.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.1 t80 -69.83 -35.81 75.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.105 179.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -69.33 -38.47 78.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.853 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.501 HG22 HD12 ' A' ' 46' ' ' ILE . 3.3 p -65.54 -24.43 67.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.959 0.409 . . . . 0.0 110.977 177.427 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.485 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 53.8 m0 -77.38 -41.86 38.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.312 0.577 . . . . 0.0 109.831 173.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.9 t -65.24 -29.18 69.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.065 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.3 mmtm -89.12 3.61 51.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.878 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.41 ' O ' ' HE2' ' A' ' 7' ' ' LYS . . . 62.5 29.46 73.54 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.842 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.501 HD12 HG22 ' A' ' 41' ' ' THR . 71.9 mt -76.26 -41.81 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 121.235 0.54 . . . . 0.0 109.649 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.02 137.62 26.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.295 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 99.2 mt -92.81 120.74 67.01 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.485 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 30.0 Cg_endo -60.08 150.28 79.89 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.888 2.392 . . . . 0.0 111.898 -177.263 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -66.49 161.88 21.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.187 -177.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -57.22 -29.47 63.77 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -171.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.98 -28.21 73.47 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.356 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -87.02 -32.81 19.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.841 0.353 . . . . 0.0 110.187 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.42 -36.22 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.112 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -57.59 -43.12 84.37 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.179 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.68 -45.02 92.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.732 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.63 -49.46 75.08 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.896 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.58 -38.2 89.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.202 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -68.95 -39.79 79.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.623 -178.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -58.46 -43.47 88.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.715 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -87.83 -12.16 45.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.3 t30 63.48 49.95 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.989 0.9 . . . . 0.0 109.541 -174.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.7 pt -126.46 -176.46 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.669 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -100.85 156.63 17.26 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -62.49 -29.77 70.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.912 0.387 . . . . 0.0 110.436 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.4 p -68.95 -29.85 68.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.845 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -64.51 -24.05 67.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.13 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.72 -30.8 14.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.222 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.8 mm -89.93 -49.24 13.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -171.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -73.6 159.74 32.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.431 0.634 . . . . 0.0 112.61 -170.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -71.04 144.46 50.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.791 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.481 ' HE3' ' OD1' ' A' ' 13' ' ' ASN . 31.8 ttmt -98.59 12.93 33.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.572 0.701 . . . . 0.0 110.537 -173.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.568 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 15.0 tmtt? -84.45 4.78 30.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.72 0.772 . . . . 0.0 110.05 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.5 mt -78.5 12.95 1.75 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.157 -0.928 . . . . 0.0 111.682 -177.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 70.68 91.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.55 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.0 mp -114.75 137.79 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.028 176.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -83.2 88.6 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.622 0.725 . . . . 0.0 110.391 -175.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.7 t -123.13 170.15 10.5 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.059 176.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.3 t -114.9 86.71 13.77 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.755 0.312 . . . . 0.0 110.931 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -96.96 178.96 0.46 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.156 2.571 . . . . 0.0 113.065 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.4 tt -132.1 136.5 56.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.961 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -107.88 120.21 41.65 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.861 -177.364 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.9 m -77.21 152.34 34.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.333 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -111.79 -53.54 0.52 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.265 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -159.76 173.4 16.07 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.7 m -124.4 134.04 53.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.524 ' O ' HD12 ' A' ' 87' ' ' LEU . 2.4 pp -113.26 118.44 34.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.604 0.716 . . . . 0.0 111.836 -174.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -142.7 -174.04 4.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.508 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 43.89 78.69 0.05 Allowed 'General case' 0 N--CA 1.466 0.332 0 O-C-N 124.14 0.9 . . . . 0.0 111.739 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 9.7 p-80 -88.94 99.22 12.24 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.124 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -87.98 132.95 34.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.193 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -115.14 98.66 6.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.864 0.364 . . . . 0.0 110.15 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -143.16 83.15 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.0 t60 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.427 -0.797 . . . . 0.0 109.073 -178.486 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.6 p -101.22 135.73 36.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.118 0.485 . . . . 0.0 111.23 -176.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -138.21 -76.75 0.38 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.153 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -83.5 118.58 23.87 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.207 -177.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 70.7 mmtt -69.37 -29.74 67.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.279 -177.252 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -71.37 -36.77 71.57 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.537 ' HA ' HD11 ' A' ' 48' ' ' ILE . 63.8 mttp -58.89 -39.02 80.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.119 173.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.87 -42.32 90.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.726 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.3 mt -60.57 -50.02 82.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.562 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -60.4 -53.98 51.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.944 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.484 ' HB3' ' HA2' ' A' ' 45' ' ' GLY . 30.8 p -63.61 -44.48 93.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.722 -175.331 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.79 -47.22 87.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.649 0.261 . . . . 0.0 110.824 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.43 -47.24 82.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.573 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 18' ' ' ILE . 54.5 tp -63.19 -47.41 82.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.795 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.5 t30 -56.62 -40.89 76.17 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.642 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -59.37 -47.63 84.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.425 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -63.93 -46.53 84.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.65 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 14' ' ' LEU . 84.2 mt -54.36 -51.69 46.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 120.905 0.383 . . . . 0.0 111.26 -178.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.93 -40.95 87.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.27 -177.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 1.031 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 1.9 mmpt? -76.74 -19.32 57.78 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -176.226 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -83.42 -13.62 54.42 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.647 0.26 . . . . 0.0 110.493 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 57.58 47.29 16.25 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.842 0.83 . . . . 0.0 109.854 -178.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -126.01 138.91 53.77 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.27 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.444 ' OG1' ' HB2' ' A' ' 27' ' ' GLU . 34.5 p -71.55 150.71 44.5 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.03 -177.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.5 mp0 -54.4 -38.12 65.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.414 177.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -63.72 -47.18 82.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.768 -179.706 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 0.6 OUTLIER -58.75 -46.23 87.92 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.031 0.443 . . . . 0.0 111.079 -178.174 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.3 mt -66.21 -39.33 84.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.246 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.65 -38.89 82.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.103 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 26' ' ' LEU . 29.0 mtpp -60.58 -40.9 93.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.102 0.477 . . . . 0.0 110.832 177.668 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.0 m -70.31 -23.29 62.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.995 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.4 HD11 ' CD2' ' A' ' 57' ' ' LEU . 69.1 mt -87.71 -44.58 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.403 0.62 . . . . 0.0 110.253 177.197 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.66 20.48 8.08 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.534 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.1 m -111.77 173.82 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.954 0.407 . . . . 0.0 110.79 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.7 m -93.74 144.43 28.17 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.475 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.1 -32.47 59.19 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.128 2.552 . . . . 0.0 113.073 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -61.17 -40.11 92.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.15 0.5 . . . . 0.0 110.607 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.5 m -73.55 -39.02 65.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.738 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -64.84 -34.88 79.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.103 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -63.51 -41.35 98.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.846 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.3 p -67.68 -22.31 65.3 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 111.671 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.615 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 50.6 m0 -75.72 -41.26 53.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.175 0.512 . . . . 0.0 109.976 174.269 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 35.2 t -66.25 -29.25 69.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.759 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -83.2 -6.41 59.47 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.484 ' HA2' ' HB3' ' A' ' 11' ' ' SER . . . 70.07 23.93 76.84 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.883 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.9 mt -81.26 -44.21 20.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.182 0.515 . . . . 0.0 110.292 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.97 153.2 51.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.05 -177.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' ' 7' ' ' LYS . 93.9 mt -111.79 126.92 27.64 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.745 176.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.615 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 56.4 Cg_endo -68.98 152.28 73.32 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.612 2.208 . . . . 0.0 111.456 176.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.411 ' O ' HG23 ' A' ' 54' ' ' VAL . 2.9 ttm180 -75.32 167.01 22.73 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.8 ptp -54.34 -26.51 30.15 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -172.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.17 -41.6 99.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.108 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.25 -21.21 24.61 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.797 -0.237 . . . . 0.0 111.056 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.436 HG21 HD11 ' A' ' 69' ' ' ILE . 98.3 t -64.75 -42.82 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.033 0.444 . . . . 0.0 110.337 175.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -61.32 -36.52 80.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.707 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.43 -35.52 81.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.43 . . . . 0.0 110.818 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.464 HD22 HD11 ' A' ' 14' ' ' LEU . 66.9 mt -67.76 -51.86 44.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.355 174.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.26 92.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.47 -177.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.7 -34.59 77.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.996 0.427 . . . . 0.0 110.677 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -70.6 -41.9 71.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.02 0.438 . . . . 0.0 110.763 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.504 ' HB2' HG12 ' A' ' 63' ' ' ILE . 60.3 m-85 -86.98 -5.53 59.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 -175.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 66.95 14.8 9.98 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.67 0.748 . . . . 0.0 110.443 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.504 HG12 ' HB2' ' A' ' 61' ' ' PHE . 40.3 pt -91.93 -173.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.016 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -101.6 153.41 19.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.991 0.424 . . . . 0.0 110.518 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -62.43 -30.71 71.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.996 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -32.61 74.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.054 -176.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.85 -35.0 61.03 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.0 mt -93.78 -30.02 15.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.701 -177.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.436 HD11 HG21 ' A' ' 54' ' ' VAL . 47.6 mm -93.6 -19.42 6.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -171.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -63.88 170.45 3.45 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.821 0.82 . . . . 0.0 112.696 -173.202 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -134.02 163.56 29.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.36 -1.291 . . . . 0.0 108.409 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -85.83 -2.15 57.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.132 0.491 . . . . 0.0 110.344 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -84.52 10.36 11.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.941 175.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 74.3 mt -88.88 84.19 6.65 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.954 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 70.49 118.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.065 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.589 HD12 ' H ' ' A' ' 76' ' ' ILE . 4.0 mp -71.32 137.11 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.712 -174.775 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -78.65 77.32 5.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.282 0.563 . . . . 0.0 109.93 177.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.603 ' O ' ' HD3' ' A' ' 80' ' ' PRO . 15.3 t -126.33 -172.52 2.64 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.082 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.5 p -107.36 88.11 3.78 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-O 121.481 0.658 . . . . 0.0 110.593 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.603 ' HD3' ' O ' ' A' ' 78' ' ' THR . 17.1 Cg_exo -66.64 107.14 1.2 Allowed 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 123.049 2.499 . . . . 0.0 112.789 -175.236 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.8 tt -88.28 123.29 40.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.156 174.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -144.26 122.53 12.27 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.49 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.9 p -80.63 113.2 18.65 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 171.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.42 -6.3 86.44 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.942 -0.647 . . . . 0.0 113.576 -173.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 59.48 -162.24 0.25 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.903 0.382 . . . . 0.0 110.03 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 m -85.27 12.25 8.46 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.346 0.593 . . . . 0.0 109.591 173.491 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 97.3 mt 64.17 -161.03 0.29 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.991 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -77.0 -35.13 57.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.625 0.25 . . . . 0.0 110.34 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 59.4 26.54 15.46 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.751 0.786 . . . . 0.0 109.6 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -96.24 109.24 21.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.695 -174.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -133.34 147.16 51.83 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.759 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -105.45 137.41 43.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.996 0.427 . . . . 0.0 111.265 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -78.73 -17.96 55.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.293 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.9 m80 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.381 -0.819 . . . . 0.0 109.833 175.042 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.454 0.169 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.9 p -110.7 -26.28 3.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.946 0.403 . . . . 0.0 111.002 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.16 126.83 52.89 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.465 ' CB ' ' HD3' ' A' ' 7' ' ' LYS . 23.8 m-20 -60.23 114.15 2.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.403 -175.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.514 ' O ' HG13 ' A' ' 9' ' ' ILE . 21.7 mttm -69.92 -37.53 75.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.59 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.06 -43.4 98.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.003 0.43 . . . . 0.0 110.169 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.549 ' HA ' HD11 ' A' ' 48' ' ' ILE . 42.5 mtpt -63.21 -36.92 85.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.742 175.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.94 -38.38 86.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.054 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 5' ' ' LYS . 83.8 mt -62.64 -51.43 72.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.732 178.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 87.6 t80 -55.1 -49.7 71.05 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.03 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.494 ' OG ' ' HA2' ' A' ' 45' ' ' GLY . 55.3 m -63.45 -43.65 96.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.492 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -59.49 -47.08 86.88 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.807 0.336 . . . . 0.0 110.684 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -60.73 -55.09 37.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.595 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.453 ' O ' HG13 ' A' ' 18' ' ' ILE . 59.4 tp -58.73 -47.51 84.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.203 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.557 ' HA ' HD12 ' A' ' 18' ' ' ILE . 60.5 t30 -61.92 -33.11 73.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.176 -175.402 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.5 m -65.6 -42.22 91.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.771 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -67.91 -34.57 76.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.321 . . . . 0.0 110.405 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 15' ' ' ASN . 92.3 mt -63.0 -48.61 87.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.886 178.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.63 88.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.008 0.433 . . . . 0.0 111.337 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.28 -5.52 52.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.149 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.8 t -76.91 -15.76 59.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.594 175.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 73.51 -37.71 0.39 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.714 0.805 . . . . 0.0 111.54 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.565 ' HE3' ' N ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -66.58 157.74 31.6 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 174.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.4 p -86.06 159.2 19.63 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.364 0.602 . . . . 0.0 112.338 -171.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.538 ' HG2' HG21 ' A' ' 18' ' ' ILE . 51.8 mt-30 -57.2 -37.65 72.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.6 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.426 ' HG ' ' HB3' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -64.56 -40.07 94.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.701 179.213 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.58 -40.36 94.49 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.179 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.549 HD12 HG23 ' A' ' 18' ' ' ILE . 62.4 mt -72.73 -42.07 61.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.966 177.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.52 -46.58 86.46 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.806 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -26.24 67.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.771 0.32 . . . . 0.0 111.118 -178.644 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.5 m -77.46 -36.23 53.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.385 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 28' ' ' ILE . 47.5 mm -68.3 -44.1 84.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.88 175.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.93 29.13 3.91 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.28 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.6 m -127.29 161.87 33.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.8 p -72.12 145.46 88.63 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.639 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.426 ' HB3' ' HG ' ' A' ' 26' ' ' LEU . 10.8 Cg_endo -54.88 -35.59 89.36 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.007 2.472 . . . . 0.0 113.47 -176.16 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -75.55 -24.69 56.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.9 m -74.85 -32.89 62.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.738 0.78 . . . . 0.0 109.191 175.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -71.32 -34.61 70.73 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.034 172.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 54.4 t30 -68.38 -38.51 81.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.302 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.512 HG22 HD12 ' A' ' 46' ' ' ILE . 1.1 p -64.71 -25.04 67.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.7 0.285 . . . . 0.0 111.243 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.523 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 51.6 m0 -74.6 -38.66 62.55 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 173.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.8 t -66.06 -27.98 68.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.647 177.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -84.3 -5.13 59.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.402 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.494 ' HA2' ' OG ' ' A' ' 11' ' ' SER . . . 66.16 32.11 81.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.729 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.512 HD12 HG22 ' A' ' 41' ' ' THR . 64.4 mt -85.87 -31.99 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.971 0.415 . . . . 0.0 110.827 -178.592 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.51 148.61 25.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.502 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.549 HD11 ' HA ' ' A' ' 7' ' ' LYS . 80.3 mt -101.2 130.57 24.65 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.344 172.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.56 ' HB2' ' HB3' ' A' ' 53' ' ' LYS . 46.5 Cg_endo -67.0 162.0 40.05 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.617 2.211 . . . . 0.0 111.668 177.334 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ttt85 -82.83 167.13 18.38 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.5 ptp -50.52 -36.92 36.36 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.051 0.759 . . . . 0.0 113.051 -170.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.33 -35.37 91.4 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.45 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.56 ' HB3' ' HB2' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -85.49 -32.86 22.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.815 0.34 . . . . 0.0 110.161 -178.818 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.445 HG22 ' HG2' ' A' ' 49' ' ' PRO . 84.9 t -62.78 -39.5 85.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.359 177.312 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -59.69 -37.77 79.71 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.571 178.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.74 -42.17 91.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.829 0.347 . . . . 0.0 110.687 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.23 -50.34 70.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.708 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.08 -25.87 66.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.391 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -76.2 -41.59 48.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.739 0.304 . . . . 0.0 110.508 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -56.88 -44.77 82.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.775 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -87.6 -6.0 58.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.274 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 56.6 t30 51.3 65.8 1.38 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.947 -176.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.5 pt -135.34 177.15 7.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.116 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -94.67 156.06 16.58 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -58.29 -30.15 66.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.833 0.349 . . . . 0.0 111.162 -179.771 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.414 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 18.5 m -66.33 -18.29 65.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.869 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.15 -34.01 65.82 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.116 0.484 . . . . 0.0 110.576 176.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 90.4 mt -94.14 -43.44 8.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.449 -177.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.402 HD13 ' CD1' ' A' ' 10' ' ' PHE . 36.1 mm -78.15 -50.56 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.399 -174.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -91.2 159.81 15.87 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.036 -174.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.4 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 17.4 t70 -80.6 133.81 35.82 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -83.53 33.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -171.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 73' ' ' LYS . 62.4 tttp -84.82 5.17 29.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.268 1.033 . . . . 0.0 108.777 168.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 71' ' ' ASP . 94.5 mt -76.16 87.24 3.02 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.347 -1.297 . . . . 0.0 111.632 -174.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -74.43 100.22 3.76 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 165.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 40.4 mm -56.74 117.99 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.764 -168.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -99.4 82.96 2.74 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.521 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.5 t -64.74 149.39 49.29 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.551 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.9 t -108.67 90.47 7.44 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.825 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -66.7 -164.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.78 2.32 . . . . 0.0 111.849 178.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 45.3 mt -53.18 120.9 1.94 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-O 121.3 0.571 . . . . 0.0 110.427 177.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -76.83 -175.32 3.41 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.588 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.6 m -65.33 151.47 46.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.84 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.484 ' O ' HD22 ' A' ' 87' ' ' LEU . . . -53.69 -68.67 1.52 Allowed Glycine 0 CA--C 1.519 0.31 0 O-C-N 123.49 0.494 . . . . 0.0 113.139 -177.406 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.1 t80 61.08 -164.41 0.24 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.794 0.33 . . . . 0.0 110.425 178.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.6 m -99.05 103.38 15.31 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.601 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.484 HD22 ' O ' ' A' ' 84' ' ' GLY . 2.0 pt? -134.66 177.77 7.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.889 0.376 . . . . 0.0 110.96 -174.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -138.72 149.21 44.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.696 -176.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -129.67 175.22 8.99 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.541 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 23.6 m170 70.43 -68.85 0.19 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.981 0.801 . . . . 0.0 111.83 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 53.95 59.33 4.33 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -174.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 65.87 78.77 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.275 -175.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -151.19 104.69 3.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.055 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.5 m170 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.489 -0.767 . . . . 0.0 110.373 179.234 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.458 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 1' ' ' MET . 92.0 t 75.71 117.37 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 O-C-N 123.653 0.596 . . . . 0.0 110.62 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -93.86 74.04 4.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.546 -176.577 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -124.37 6.36 8.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.264 -174.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.16 -50.06 74.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -65.25 -32.52 74.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.5 -47.47 81.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.253 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.04 79.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.84 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.8 mt -57.23 -51.01 74.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.844 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -58.81 -54.99 40.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.416 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.1 p -64.83 -41.67 95.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.499 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.63 -47.08 82.81 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.965 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.2 m120 -70.2 -41.97 72.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.849 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.1 tp -59.18 -44.63 92.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.016 0.436 . . . . 0.0 110.115 176.407 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -60.08 -32.9 71.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.498 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 m -65.54 -36.28 83.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.953 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -77.03 -33.68 57.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.557 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 86.5 mt -65.08 -46.99 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.388 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.61 -5.14 41.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.201 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 tttp -86.29 -22.92 26.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.333 0.587 . . . . 0.0 109.657 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.1 t -104.28 177.4 4.86 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.975 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.1 -1.19 40.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.038 0.447 . . . . 0.0 110.209 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -77.92 130.19 36.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.977 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.0 p -79.34 168.37 19.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.472 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -57.13 -33.32 67.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.524 175.083 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.46 HD23 ' HB3' ' A' ' 36' ' ' PRO . 12.1 mt -71.48 -44.26 65.05 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.388 177.234 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 5.4 mm-40 -65.45 -39.99 92.68 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.902 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.02 -40.13 75.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.12 177.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.94 -45.55 86.45 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.242 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -68.69 -26.7 65.42 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.859 0.361 . . . . 0.0 110.849 -178.749 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.1 m -74.67 -43.76 53.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.299 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.8 mm -70.8 -44.73 75.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.176 0.512 . . . . 0.0 110.184 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.19 31.15 3.38 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.56 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.2 m -122.34 163.37 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 -179.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 m -71.11 146.91 93.2 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.901 177.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.46 ' HB3' HD23 ' A' ' 26' ' ' LEU . 14.7 Cg_endo -57.03 -33.14 95.1 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.699 2.266 . . . . 0.0 112.116 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -66.37 -35.79 81.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.154 0.502 . . . . 0.0 110.546 177.276 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.4 m -67.99 -39.28 83.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.592 0.71 . . . . 0.0 109.298 -177.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -71.22 -34.73 71.09 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.838 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -66.01 -40.13 90.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.084 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 p -65.32 -22.91 66.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.72 0.295 . . . . 0.0 111.447 178.149 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.511 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 52.4 m0 -77.64 -40.75 40.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.235 0.54 . . . . 0.0 109.885 173.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 46.0 t -63.72 -33.28 75.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.878 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -84.43 -4.92 59.19 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.501 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.97 35.82 92.6 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.629 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 49.5 mm -81.72 -41.59 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.331 0.586 . . . . 0.0 110.074 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.57 154.29 42.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.373 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 98.6 mt -108.36 131.31 21.85 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.577 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.511 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 48.6 Cg_endo -66.64 158.05 57.81 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.932 2.422 . . . . 0.0 111.73 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.5 mtp85 -93.58 -175.68 3.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.729 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 88.9 mtp -56.92 -30.6 64.13 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -171.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.35 -38.65 96.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.762 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 53' ' ' LYS . 10.5 mptt -97.12 -28.58 14.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -177.046 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.4 t -59.71 -36.94 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.129 0.49 . . . . 0.0 109.966 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -59.31 -42.32 91.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.849 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.21 -40.85 77.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.734 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.49 -50.86 67.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.188 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.6 -35.44 79.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.012 0.434 . . . . 0.0 110.889 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.44 -44.34 68.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.141 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -65.25 -36.74 85.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.32 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -90.84 -4.51 56.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.7 t30 55.48 48.91 17.86 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.357 0.599 . . . . 0.0 110.27 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.4 pt -127.15 -177.71 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.431 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -98.62 161.66 13.55 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.473 ' O ' HG13 ' A' ' 69' ' ' ILE . 63.6 pttt -63.68 -32.2 73.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.304 0.573 . . . . 0.0 109.925 177.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.8 t -66.37 -27.9 68.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.287 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -66.87 -25.64 66.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.899 0.381 . . . . 0.0 111.172 -176.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.4 mt -94.56 -23.36 17.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 65' ' ' LYS . 72.7 mt -84.97 -51.76 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.608 -175.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -95.76 153.95 17.47 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 121.086 0.469 . . . . 0.0 111.087 -176.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -83.26 171.01 14.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.948 -176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.8 pttt -78.22 33.58 0.19 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.163 0.506 . . . . 0.0 111.226 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -84.57 16.0 3.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.193 0.521 . . . . 0.0 110.713 -179.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -80.35 73.29 7.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.827 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -125.69 -170.72 2.23 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.671 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.1 mt -77.97 133.71 29.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.998 0.428 . . . . 0.0 110.542 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -165.39 125.4 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.539 HG21 ' H ' ' A' ' 94' ' ' HIS . 37.8 p -47.98 138.5 8.96 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 123.962 0.789 . . . . 0.0 112.315 -176.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.8 t -107.75 90.95 6.81 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.273 -173.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.82 -164.64 0.22 Allowed 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.762 2.308 . . . . 0.0 111.872 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 81' ' ' ILE . 4.1 mp -85.47 129.57 37.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.158 0.504 . . . . 0.0 110.09 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 83' ' ' SER . 29.8 tt0 -154.84 168.15 27.87 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.406 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 21.1 t -51.78 126.85 19.11 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.135 176.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.57 -102.01 0.18 Allowed Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.194 -173.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 22.4 t80 58.31 80.11 0.19 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 -171.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 89.2 m 65.47 82.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.162 -167.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.402 ' H ' ' HG ' ' A' ' 87' ' ' LEU . 3.9 pp -83.13 147.52 28.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.442 -174.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -85.08 160.29 20.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.132 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 68.2 m80 -66.22 113.37 4.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.029 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 94.0 m-70 -80.6 105.36 11.79 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 175.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -102.45 -71.55 0.72 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.767 0.317 . . . . 0.0 110.867 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -138.96 158.72 43.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.776 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -131.55 149.46 52.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 175.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.539 ' H ' HG21 ' A' ' 78' ' ' THR . 6.0 t60 . . . . . 0 C--O 1.244 0.791 0 CA-C-O 118.728 -0.653 . . . . 0.0 109.349 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.7 t -85.52 95.54 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.881 0.372 . . . . 0.0 110.373 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.659 ' HA ' ' HE3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -90.95 -39.42 12.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.707 177.055 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.548 ' HB3' ' HZ3' ' A' ' 7' ' ' LYS . 12.7 t70 71.42 111.48 0.06 Allowed 'General case' 0 N--CA 1.466 0.37 0 O-C-N 124.066 0.854 . . . . 0.0 110.526 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -69.13 -35.05 75.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.584 -173.23 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -64.28 -34.66 78.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.362 -176.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.548 ' HZ3' ' HB3' ' A' ' 4' ' ' ASP . 4.7 ttmp? -63.43 -36.79 84.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.838 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.38 -33.07 62.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.6 mt -72.19 -43.26 66.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.857 176.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.42 ' CD1' ' HB3' ' A' ' 68' ' ' LEU . 67.5 t80 -53.17 -57.33 10.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.834 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.3 p -63.14 -46.94 84.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.663 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -59.32 -48.55 81.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.235 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -72.4 -40.16 67.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.804 -177.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 18' ' ' ILE . 61.1 tp -60.48 -48.88 79.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.994 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.469 ' HA ' HD12 ' A' ' 18' ' ' ILE . 3.3 t30 -60.18 -35.62 75.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.415 -178.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.1 m -62.11 -43.82 98.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.776 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -66.92 -37.67 84.76 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.561 0.219 . . . . 0.0 110.858 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 15' ' ' ASN . 77.4 mt -60.39 -45.06 97.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.957 0.408 . . . . 0.0 110.286 176.654 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.06 94.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.887 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -59.45 -38.16 80.02 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.1 t -72.25 -21.92 61.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.289 -176.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 58.22 42.1 22.5 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 122.094 0.95 . . . . 0.0 109.109 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' HD2' HG12 ' A' ' 28' ' ' ILE . 25.3 ttmm -121.34 160.54 23.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.532 -176.11 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.9 p -88.13 145.02 26.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.703 0.287 . . . . 0.0 110.908 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.45 -37.5 83.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.073 0.463 . . . . 0.0 110.332 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -43.53 94.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.52 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -64.29 -42.46 96.39 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.692 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.512 ' O ' HG12 ' A' ' 32' ' ' ILE . 57.6 mt -63.53 -45.29 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.39 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.18 -39.0 77.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.703 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -65.92 -34.48 78.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.366 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.1 m -75.66 -32.31 60.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.78 0.324 . . . . 0.0 110.825 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 28' ' ' ILE . 47.7 mm -77.54 -44.26 29.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.125 0.488 . . . . 0.0 110.615 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.37 31.73 3.18 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.043 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.12 167.27 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.686 0.279 . . . . 0.0 110.368 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.1 m -72.92 148.57 89.49 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.158 177.624 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.54 -28.48 85.84 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.442 2.095 . . . . 0.0 111.583 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -68.68 -35.49 77.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.843 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.1 m -70.03 -36.29 74.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.748 0.785 . . . . 0.0 109.308 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -71.03 -34.55 71.4 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.586 175.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.56 -40.88 98.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.044 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 p -65.36 -22.87 66.86 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.801 0.334 . . . . 0.0 111.725 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -83.5 -37.96 22.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.107 0.48 . . . . 0.0 109.779 175.263 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.9 -37.33 87.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.803 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -81.04 -4.66 55.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.242 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.27 44.36 96.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.132 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.8 mt -89.3 -41.01 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.037 0.446 . . . . 0.0 110.252 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -146.3 148.45 32.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.557 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.8 mt -95.56 124.72 52.08 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.237 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -67.74 155.56 69.49 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.939 2.426 . . . . 0.0 112.005 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -67.4 150.87 48.36 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.614 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 45.7 ttm -51.73 -33.85 36.46 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -173.38 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.14 -37.37 91.62 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.354 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.27 -28.7 38.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.928 0.394 . . . . 0.0 110.495 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.5 t -63.8 -34.46 68.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.057 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' A' ' 51' ' ' MET . 28.2 mm-40 -54.73 -48.42 72.56 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.509 176.706 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.4 98.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.002 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.49 -50.85 69.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.778 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.37 -38.95 91.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.071 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.26 -43.96 85.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -62.02 -37.95 86.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.968 -177.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -91.46 -3.59 56.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.054 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 57.96 36.16 25.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.371 -177.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.0 pt -113.26 -177.07 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.292 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -92.39 152.24 19.84 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.443 ' O ' HG13 ' A' ' 69' ' ' ILE . 23.9 pttm -64.95 -30.04 71.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.074 0.464 . . . . 0.0 110.089 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.3 m -66.42 -19.06 65.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.663 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -63.04 -29.85 71.14 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.351 0.596 . . . . 0.0 110.471 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.42 ' HB3' ' CD1' ' A' ' 10' ' ' PHE . 78.4 mt -93.37 -19.89 20.88 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.808 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.451 ' O ' HG22 ' A' ' 69' ' ' ILE . 19.9 mt -104.92 8.1 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.159 -173.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -48.62 150.45 1.4 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.777 0.799 . . . . 0.0 112.426 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -142.21 136.97 30.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.115 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.435 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 27.6 mmmt -112.18 15.91 20.31 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -176.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -88.27 2.53 52.16 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 122.674 1.226 . . . . 0.0 108.405 169.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.8 mt -92.98 87.41 5.76 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 113.924 -1.489 . . . . 0.0 108.707 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 73.49 102.54 0.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.165 -174.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 57.6 mt -72.77 132.48 33.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.071 -170.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -136.41 96.37 3.35 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 173.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.5 p -48.59 107.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -169.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.411 HG13 ' O ' ' A' ' 79' ' ' VAL . 4.6 p -113.0 86.81 9.53 Favored Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.163 170.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.16 137.7 17.36 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.498 2.132 . . . . 0.0 113.327 -172.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.413 HD12 ' N ' ' A' ' 81' ' ' ILE . 4.1 mp -109.75 126.95 66.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 172.472 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -86.33 79.65 8.97 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.289 0.566 . . . . 0.0 110.243 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.1 m -148.1 -164.49 2.03 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.485 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -91.76 109.0 3.67 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.219 -0.991 . . . . 0.0 113.167 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -82.78 72.43 9.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.104 0.478 . . . . 0.0 109.943 174.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.2 m -72.04 111.84 7.61 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.3 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.8 mt -87.66 99.8 12.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.818 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.45 139.21 49.56 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 176.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -136.7 113.19 10.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.525 0.679 . . . . 0.0 112.308 -170.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -116.84 -161.36 0.8 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.229 173.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -98.11 170.22 9.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.912 0.387 . . . . 0.0 110.835 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -83.86 112.41 20.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.598 177.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -82.36 138.95 34.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.001 -178.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.2 p80 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.359 -0.829 . . . . 0.0 109.346 178.127 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.9 m -84.48 7.0 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.161 -175.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -80.79 -175.34 5.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.094 0.473 . . . . 0.0 111.646 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.635 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 7.4 m-20 -62.72 113.75 3.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.738 -173.722 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HE3' HD11 ' A' ' 9' ' ' ILE . 58.3 tptt -67.24 -45.78 75.72 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.039 175.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.78 -44.35 97.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.487 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.676 ' HD3' HG13 ' A' ' 48' ' ' ILE . 17.6 ttpp -70.84 -31.77 68.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.502 -178.109 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.72 -42.57 95.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.271 175.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.444 HD11 ' HE3' ' A' ' 5' ' ' LYS . 85.3 mt -62.95 -51.67 69.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.521 176.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -54.46 -49.04 70.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.339 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 p -66.27 -42.86 87.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.331 -178.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.19 -45.7 90.52 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.807 0.337 . . . . 0.0 110.487 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -59.0 -55.33 36.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.721 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.504 ' HG ' HD11 ' A' ' 18' ' ' ILE . 59.3 tp -58.47 -44.45 89.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.763 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -56.47 -34.97 67.4 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.976 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.582 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 17.6 m -59.51 -43.19 93.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.73 -178.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -73.8 -37.48 64.92 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.63 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.504 HD11 ' HG ' ' A' ' 14' ' ' LEU . 69.2 mt -64.44 -51.89 62.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.111 -178.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.7 -7.08 54.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.796 -175.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' A' ' 16' ' ' SER . 26.6 tttp -91.86 -17.12 25.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.167 0.508 . . . . 0.0 110.177 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -90.54 155.35 18.95 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.064 -177.096 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -81.14 -13.15 58.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.642 173.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -90.27 120.47 31.44 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.305 -0.862 . . . . 0.0 108.899 175.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.0 p -81.47 178.06 8.58 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.753 -171.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -52.59 -33.2 45.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.538 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -70.27 -44.32 68.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.58 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -61.16 -49.84 75.61 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.4 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.476 ' O ' HG12 ' A' ' 32' ' ' ILE . 55.5 mt -65.21 -42.61 94.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.163 -175.684 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.35 -38.26 76.87 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.492 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 26' ' ' LEU . 9.3 mtpm? -62.94 -37.34 86.65 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.286 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 m -78.69 -34.53 46.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.145 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 28' ' ' ILE . 49.3 mm -69.77 -44.52 79.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.006 0.432 . . . . 0.0 110.639 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.57 24.72 3.64 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.472 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.4 m -128.88 176.49 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.8 m -88.21 154.63 51.95 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.45 -26.48 63.43 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.516 2.144 . . . . 0.0 111.684 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -67.18 -40.69 86.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.594 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.4 m -66.61 -40.99 89.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.565 0.698 . . . . 0.0 109.445 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -66.74 -34.27 77.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.055 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -33.39 75.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.835 -178.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.4 p -67.73 -37.48 82.26 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.985 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.407 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 29.6 m0 -67.8 -36.55 80.63 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.162 0.506 . . . . 0.0 109.811 176.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.28 -36.52 83.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.512 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -83.04 -4.9 58.83 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.242 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.29 32.79 85.37 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.612 -177.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.9 mt -73.43 -52.3 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.832 0.349 . . . . 0.0 110.433 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.64 172.05 13.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.566 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.676 HG13 ' HD3' ' A' ' 7' ' ' LYS . 95.6 mt -119.82 129.72 25.21 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.407 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 60.1 Cg_endo -70.21 155.56 64.17 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.613 2.208 . . . . 0.0 111.878 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 54' ' ' VAL . 80.1 mtt180 -85.41 170.65 12.51 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.467 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.647 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 24.4 ptm -50.25 -35.46 27.06 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.793 0.683 . . . . 0.0 112.64 -172.599 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.17 -46.17 56.81 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 121.178 -0.534 . . . . 0.0 113.15 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -92.5 -22.4 19.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 50' ' ' ARG . 78.6 t -61.04 -42.6 93.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 110.755 177.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.647 ' HG2' ' O ' ' A' ' 51' ' ' MET . 9.5 mm-40 -67.15 -32.39 73.47 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.95 74.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.665 177.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.15 -50.3 73.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.696 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.84 -28.59 70.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.318 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -74.34 -39.2 62.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -71.94 -31.66 66.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.855 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -92.85 -6.32 49.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.771 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 m120 57.87 42.74 22.65 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.529 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.6 pt -122.98 178.48 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.585 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -98.78 170.77 8.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.702 0.287 . . . . 0.0 110.523 -176.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.81 -37.08 73.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.509 176.214 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.542 ' O ' ' HG2' ' A' ' 70' ' ' GLU . 1.3 m -61.96 -43.94 97.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.398 -177.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -61.63 -23.37 66.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.819 -174.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.2 mt -90.81 -31.16 16.6 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.8 mm -93.72 -51.49 11.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -170.266 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' ' 66' ' ' SER . 9.4 pt-20 -86.87 147.23 25.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.336 0.589 . . . . 0.0 112.03 -173.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -84.69 160.07 20.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.366 -0.833 . . . . 0.0 111.233 -174.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.897 ' H ' ' HD3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -80.69 -3.69 51.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.914 -176.616 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.867 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 6.9 mmpt? -84.58 16.85 2.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.267 0.556 . . . . 0.0 110.537 175.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.442 HD12 ' HB2' ' A' ' 70' ' ' GLU . 59.7 mt -93.08 8.72 38.87 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.416 174.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 89.5 m-20 -80.58 143.05 33.48 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 175.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.819 ' H ' HD12 ' A' ' 76' ' ' ILE . 3.7 mp -61.09 113.77 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.128 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -156.4 107.62 2.44 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.332 -174.629 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 m 63.62 22.46 13.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.271 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -134.08 86.28 37.5 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.526 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -75.13 112.64 3.6 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.874 2.383 . . . . 0.0 110.807 173.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.643 HG12 ' H ' ' A' ' 83' ' ' SER . 12.8 tt -63.5 138.43 22.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.169 0.509 . . . . 0.0 111.269 -177.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -86.98 20.83 2.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.671 0.748 . . . . 0.0 110.621 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.643 ' H ' HG12 ' A' ' 81' ' ' ILE . 65.0 m -154.72 172.42 17.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.987 179.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.54 44.72 2.26 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.716 176.187 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -76.08 130.23 38.01 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.2 m -83.96 85.56 7.3 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.346 0.593 . . . . 0.0 111.528 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.714 HD23 ' H ' ' A' ' 87' ' ' LEU . 1.8 pt? -96.94 -171.51 2.25 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 172.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -72.45 100.88 2.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.096 0.474 . . . . 0.0 111.493 -174.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -134.57 172.39 12.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.957 175.476 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 50.5 p-80 -69.51 141.5 53.88 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 177.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -102.89 -56.73 2.17 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.849 0.357 . . . . 0.0 110.724 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -121.46 116.65 25.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.443 -176.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -100.8 66.94 1.21 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.982 0.42 . . . . 0.0 110.816 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.68 -0.676 . . . . 0.0 109.238 174.792 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.683 0.277 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.3 t -114.78 105.93 19.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.967 0.413 . . . . 0.0 110.667 -176.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -161.3 126.45 3.61 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.087 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.13 96.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 174.117 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.465 ' HG2' ' OE1' ' A' ' 6' ' ' GLN . 21.6 pttm -69.44 -29.86 67.66 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.121 -176.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.465 ' OE1' ' HG2' ' A' ' 5' ' ' LYS . 1.1 mp0 -57.61 -46.8 83.63 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.236 0.541 . . . . 0.0 109.814 174.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -63.7 -37.56 87.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.437 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 12' ' ' GLU . . . -75.78 -35.12 60.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.691 -179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.536 HG21 ' HA ' ' A' ' 71' ' ' ASP . 94.5 mt -71.2 -47.03 62.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.458 0.171 . . . . 0.0 110.971 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -54.92 -46.95 74.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.637 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.5 p -70.06 -42.55 72.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.991 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 8' ' ' ALA . 8.4 tp10 -58.14 -51.01 71.49 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.78 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.7 -55.75 31.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.562 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.59 ' O ' HG13 ' A' ' 18' ' ' ILE . 52.3 tp -55.35 -51.29 67.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.013 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.494 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -61.35 -36.84 81.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.969 -175.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.3 m -68.02 -40.65 82.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.065 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -66.65 -40.15 88.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.633 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.59 HG13 ' O ' ' A' ' 14' ' ' LEU . 78.8 mt -55.47 -44.13 74.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.995 0.426 . . . . 0.0 110.805 177.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.85 -29.41 64.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.5 -178.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -80.62 -40.33 25.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.748 0.309 . . . . 0.0 111.071 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.2 m -67.77 -30.12 69.5 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 120.802 0.334 . . . . 0.0 110.147 175.219 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 58.67 69.7 0.71 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.265 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.401 ' HE2' ' HG3' ' A' ' 27' ' ' GLU . 21.0 tptm -133.42 157.88 44.46 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.467 ' OG1' ' HB2' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -75.19 136.22 41.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.733 0.302 . . . . 0.0 111.246 -178.665 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -60.39 -41.69 94.36 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.596 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.67 ' HG ' ' HG3' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -57.01 -43.59 81.94 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.709 177.622 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 1.4 tm-20 -59.65 -49.91 75.92 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.583 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 32' ' ' ILE . 55.0 mt -59.59 -47.91 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.646 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.11 92.35 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.984 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -63.3 -41.08 98.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.508 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.3 t -71.4 -19.38 62.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.045 0.45 . . . . 0.0 110.881 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 28' ' ' ILE . 96.4 mt -81.95 -44.78 20.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.114 0.483 . . . . 0.0 110.25 176.357 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 113.44 23.12 5.24 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.547 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.5 m -125.12 -176.19 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.3 m -101.7 156.72 34.86 Favored Pre-proline 0 C--N 1.319 -0.739 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.67 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 33.8 Cg_exo -56.65 -30.19 82.64 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.693 2.262 . . . . 0.0 112.301 178.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -63.93 -39.74 94.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.13 0.49 . . . . 0.0 110.358 174.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.5 m -67.34 -40.27 85.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.735 0.779 . . . . 0.0 109.059 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -64.74 -34.99 79.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.205 177.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -64.41 -37.81 88.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.343 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.4 p -64.83 -23.9 67.38 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.815 0.341 . . . . 0.0 111.079 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.406 ' CD1' ' HD3' ' A' ' 49' ' ' PRO . 26.5 m0 -88.8 -40.99 12.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.061 0.458 . . . . 0.0 109.978 177.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 35.6 t -65.44 -37.46 86.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.381 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.476 ' HB3' HG13 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -83.66 -0.95 52.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.305 178.201 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.49 46.34 94.01 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.251 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.476 HG13 ' HB3' ' A' ' 44' ' ' LYS . 73.8 mt -93.09 -49.22 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.857 0.36 . . . . 0.0 110.274 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.49 153.3 51.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.542 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.7 mt -105.36 125.75 32.67 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.841 177.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.452 ' HB2' ' HB2' ' A' ' 53' ' ' LYS . 63.6 Cg_endo -70.58 172.55 13.23 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.882 2.388 . . . . 0.0 112.089 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -92.5 168.4 11.29 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.622 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 10.6 mmt -50.84 -42.2 58.41 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -173.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.06 -33.35 64.11 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.666 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.452 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 94.7 mttt -86.01 -34.66 20.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.936 0.398 . . . . 0.0 110.418 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.8 t -62.97 -34.69 67.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.536 177.058 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' A' ' 51' ' ' MET . 28.8 mm-40 -60.97 -37.8 83.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 178.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.65 -41.22 79.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.846 0.355 . . . . 0.0 110.481 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.15 -49.51 77.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.441 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.12 -29.26 70.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.536 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -78.16 -40.61 37.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.846 -178.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.463 ' CE2' HG12 ' A' ' 28' ' ' ILE . 66.5 t80 -60.82 -41.66 96.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.78 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -87.02 -13.23 45.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.324 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.9 t30 61.05 33.43 19.61 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.653 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.444 HG13 ' H ' ' A' ' 64' ' ' ASN . 1.5 pt -104.56 -87.31 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.499 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.444 ' H ' HG13 ' A' ' 63' ' ' ILE . 15.4 t-20 -176.12 163.0 2.58 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 176.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -69.68 -30.45 68.11 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.082 0.467 . . . . 0.0 110.105 176.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.2 m -62.89 -41.65 99.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.499 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -62.71 -25.22 68.06 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.703 -177.232 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.36 -39.84 10.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.58 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.5 mm -77.46 -39.81 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.745 -174.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -93.54 172.93 7.96 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 120.905 0.383 . . . . 0.0 111.997 -173.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.536 ' HA ' HG21 ' A' ' 9' ' ' ILE . 5.3 t0 -66.69 160.64 25.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.765 -175.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -81.13 19.99 0.86 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.517 0.675 . . . . 0.0 110.439 -176.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -84.14 14.06 4.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.615 -178.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.2 mt -75.19 78.44 2.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.132 178.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -84.72 108.06 17.23 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.598 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 47.2 mt -69.63 151.18 9.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.98 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -76.05 13.92 0.79 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.006 0.431 . . . . 0.0 111.933 -176.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.3 p -86.21 -167.01 1.71 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.66 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.423 ' HA ' ' HD2' ' A' ' 80' ' ' PRO . 5.6 p -105.08 89.35 2.94 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-O 121.176 0.512 . . . . 0.0 110.496 178.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 79' ' ' VAL . 18.3 Cg_endo -57.01 141.39 94.05 Favored 'Trans proline' 0 C--O 1.237 0.451 0 C-N-CA 123.303 2.669 . . . . 0.0 113.14 -174.063 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 59.3 mt -65.86 143.36 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.515 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.546 ' CD ' ' H ' ' A' ' 82' ' ' GLU . 1.8 mp0 -55.59 103.21 0.09 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.243 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 t -138.61 135.14 34.62 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -93.18 177.46 38.09 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.258 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -144.21 133.07 22.55 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.7 p -97.09 131.87 43.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.955 0.407 . . . . 0.0 111.275 -178.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -104.44 131.98 51.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -75.27 128.15 34.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.52 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -107.83 133.77 51.73 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -79.34 -39.56 32.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.844 -176.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 61.75 90.89 0.07 Allowed 'General case' 0 CA--C 1.53 0.19 0 O-C-N 123.684 0.615 . . . . 0.0 111.658 177.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -134.93 113.75 11.84 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -80.32 -10.02 59.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.43 -174.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 . . . . . 0 C--O 1.246 0.914 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.294 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.822 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 1.9 mpt? . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.4 m -137.49 132.8 45.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.141 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 79.2 mttt 61.74 103.23 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.728 0.642 . . . . 0.0 112.585 176.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.7 t70 71.62 29.09 2.67 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 122.016 0.913 . . . . 0.0 109.01 -177.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.822 ' HB2' ' HB3' ' A' ' 1' ' ' MET . 25.6 pttm -70.08 -24.31 63.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.415 -1.266 . . . . 0.0 112.33 -172.047 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -39.66 86.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.352 0.596 . . . . 0.0 109.905 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.438 ' HA ' HD11 ' A' ' 48' ' ' ILE . 9.3 mtpm? -71.76 -26.8 62.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.288 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.75 -37.82 58.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.931 0.396 . . . . 0.0 110.693 177.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.4 mt -66.39 -51.61 56.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.374 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -54.02 -48.41 70.52 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.475 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.486 ' HB3' ' HA2' ' A' ' 45' ' ' GLY . 13.7 p -67.07 -46.89 72.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.865 -176.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.68 -41.07 76.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.944 0.402 . . . . 0.0 110.865 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.41 -53.7 32.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.38 178.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.3 tp -58.29 -39.72 80.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.675 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 11' ' ' SER . 1.3 t30 -56.13 -40.47 73.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.351 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -65.82 -42.78 90.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.89 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -65.07 -39.04 92.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.978 0.418 . . . . 0.0 110.824 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.9 mt -71.21 -41.83 75.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.993 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.2 -29.62 69.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.925 0.393 . . . . 0.0 111.36 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -72.02 -31.23 65.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.335 0.588 . . . . 0.0 110.126 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.9 t -67.43 143.78 56.08 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.362 -176.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -87.99 -0.24 56.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.266 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -90.74 -177.39 4.98 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.195 0.521 . . . . 0.0 111.651 -175.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.475 ' O ' HG13 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -104.14 151.02 23.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.725 -178.635 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -66.17 -41.52 90.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.216 0.532 . . . . 0.0 109.796 178.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.654 ' HG ' ' HG3' ' A' ' 36' ' ' PRO . 1.3 tt -56.05 -47.31 78.14 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.532 174.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -60.99 -43.27 99.1 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 114.595 -1.184 . . . . 0.0 111.493 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.552 ' O ' HG12 ' A' ' 32' ' ' ILE . 78.0 mt -64.48 -53.59 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.587 177.111 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.09 94.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.79 -176.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.43 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 9.1 tmtt? -60.92 -39.67 90.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.122 -178.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.8 m -72.22 -27.87 62.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.552 HG12 ' O ' ' A' ' 28' ' ' ILE . 47.4 mm -70.3 -44.94 77.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-O 121.177 0.513 . . . . 0.0 110.233 176.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.8 20.17 4.64 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.687 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.5 m -128.02 169.84 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -82.85 144.34 47.97 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.364 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.654 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 11.6 Cg_endo -58.13 -28.69 84.74 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.779 2.319 . . . . 0.0 111.777 175.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.409 ' OE1' ' HG2' ' A' ' 36' ' ' PRO . 2.1 mp0 -59.2 -39.67 83.37 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.117 176.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.5 m -78.45 -37.65 43.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.044 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -61.97 -37.0 83.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.735 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -61.1 -42.54 98.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.485 HG22 HD12 ' A' ' 46' ' ' ILE . 40.1 p -69.26 -24.9 64.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.476 -178.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.654 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 51.5 m0 -73.04 -42.64 62.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.327 0.584 . . . . 0.0 109.532 174.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.5 t -67.67 -29.57 68.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.217 -177.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -89.21 0.57 56.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.641 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.486 ' HA2' ' HB3' ' A' ' 11' ' ' SER . . . 74.32 13.44 81.49 Favored Glycine 0 C--O 1.235 0.167 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.59 178.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.485 HD12 HG22 ' A' ' 41' ' ' THR . 68.5 mt -66.97 -45.09 87.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.959 0.409 . . . . 0.0 110.036 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.28 160.53 40.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.025 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.438 HD11 ' HA ' ' A' ' 7' ' ' LYS . 31.9 mt -118.43 134.41 23.45 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.719 175.642 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.721 ' HB2' ' HB2' ' A' ' 53' ' ' LYS . 69.8 Cg_endo -72.25 169.46 21.52 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.89 2.393 . . . . 0.0 112.631 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -86.89 176.02 7.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.866 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -50.5 -47.81 57.15 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -171.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.74 -28.5 63.05 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.384 -0.436 . . . . 0.0 113.102 -177.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.721 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 3.4 mptp? -89.13 -38.52 14.26 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -61.51 -42.42 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.715 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -65.04 -33.53 76.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.78 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.75 -42.24 77.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.28 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.5 -48.76 76.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.718 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.18 -30.89 71.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.223 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.36 -35.9 40.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.84 0.353 . . . . 0.0 110.493 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -58.27 -40.91 83.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.885 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -94.1 -6.98 43.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.01 179.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 64.4 t30 55.49 67.75 0.97 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.63 -174.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.7 pt -139.07 -175.06 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.716 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -106.43 178.71 4.48 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.875 -0.416 . . . . 0.0 109.875 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HE3' ' HB2' ' A' ' 65' ' ' LYS . 13.6 ptmt -67.73 -35.71 79.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.686 0.279 . . . . 0.0 110.537 177.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 16.3 m -60.58 -38.1 83.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.576 -175.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -56.79 -34.28 67.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.604 -176.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.5 mt -94.54 -28.75 15.26 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.6 mm -88.15 -37.18 10.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -172.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -76.22 147.69 38.19 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -79.11 167.89 20.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.07 0.462 . . . . 0.0 110.572 -176.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -80.04 28.97 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.305 -172.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -84.49 44.23 1.02 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 171.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.1 mt -77.96 76.97 4.47 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.514 -172.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -92.98 33.17 1.19 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 172.445 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 77' ' ' ASP . 20.4 mm -81.63 166.46 2.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.583 -177.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.431 ' N ' HG22 ' A' ' 76' ' ' ILE . 4.4 p-10 -72.11 10.13 0.82 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.01 0.433 . . . . 0.0 111.937 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.534 ' O ' ' HD3' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -82.8 -164.07 0.81 Allowed 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.764 176.686 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.6 p -106.91 89.06 4.06 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 121.021 0.439 . . . . 0.0 110.765 177.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.534 ' HD3' ' O ' ' A' ' 78' ' ' THR . 52.6 Cg_exo -54.54 114.01 1.63 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.759 2.306 . . . . 0.0 112.252 -178.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.4 tt -86.65 157.36 3.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.437 -177.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.78 106.89 2.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.85 0.357 . . . . 0.0 110.164 174.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.8 t -99.89 -174.15 2.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.981 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.65 142.58 16.04 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.909 -175.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -89.09 115.39 26.59 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.7 m -67.13 125.55 26.39 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.254 0.549 . . . . 0.0 111.641 -175.442 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 tt -98.67 97.7 8.93 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 174.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -105.66 87.86 2.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.4 0.619 . . . . 0.0 110.606 -176.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -101.28 3.25 40.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.124 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -121.82 161.04 23.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.829 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 -122.99 139.08 54.45 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 170.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -94.14 -79.13 0.42 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.39 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 67.7 t60 67.86 141.17 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.767 0.794 . . . . 0.0 111.884 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.3 p80 . . . . . 0 C--O 1.246 0.886 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.733 176.66 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 3' ' ' LYS . 71.7 t 74.3 -58.86 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 O-C-N 123.613 0.571 . . . . 0.0 112.194 174.05 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.586 ' HG2' ' N ' ' A' ' 4' ' ' ASP . 59.0 tttp 66.21 176.97 0.22 Allowed 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -174.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.586 ' N ' ' HG2' ' A' ' 3' ' ' LYS . 21.9 t70 67.64 34.03 4.72 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 122.01 0.909 . . . . 0.0 109.683 173.216 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -71.17 -25.25 62.46 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.58 -1.191 . . . . 0.0 112.545 -172.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -59.56 -42.7 93.03 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -173.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.488 ' HZ3' ' CG ' ' A' ' 4' ' ' ASP . 2.2 ptpp? -65.21 -36.95 85.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.71 0.291 . . . . 0.0 111.506 -177.367 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.12 -43.72 82.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.71 -51.25 58.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.635 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -55.82 -49.4 73.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.036 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.549 ' HB2' ' HA3' ' A' ' 45' ' ' GLY . 40.0 t -61.36 -51.67 67.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.09 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -62.83 -36.38 83.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.876 0.369 . . . . 0.0 111.276 -173.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -72.51 -55.74 6.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.816 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 18' ' ' ILE . 50.5 tp -61.49 -45.58 93.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.548 -176.157 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.39 -38.96 78.39 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.069 0.461 . . . . 0.0 110.757 -175.297 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.1 m -62.04 -44.46 96.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.124 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -70.57 -31.86 69.04 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.389 -0.194 . . . . 0.0 111.061 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 14' ' ' LEU . 84.0 mt -63.81 -40.16 88.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.225 0.536 . . . . 0.0 110.21 176.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.46 -37.27 63.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.464 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -72.28 -33.98 67.84 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 p -75.94 -26.53 56.97 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.156 0.503 . . . . 0.0 109.656 174.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 62.56 30.78 17.1 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.685 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -94.47 150.33 20.37 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.94 174.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.519 ' OG1' ' HB2' ' A' ' 27' ' ' GLU . 1.3 p -75.79 146.32 40.07 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.946 0.403 . . . . 0.0 111.421 -176.429 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -58.87 -38.75 79.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.829 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.431 ' HG ' ' HB3' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -62.64 -44.98 94.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.249 177.704 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.519 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 0.8 OUTLIER -61.35 -52.06 66.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.885 -178.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.512 ' O ' HG12 ' A' ' 32' ' ' ILE . 61.6 mt -64.8 -40.36 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.109 -178.055 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.42 -43.22 75.1 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.521 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -64.43 -42.64 95.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.067 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.1 m -66.36 -29.7 69.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 28' ' ' ILE . 39.6 mm -74.56 -43.55 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.048 0.452 . . . . 0.0 110.346 176.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.57 18.54 4.41 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.321 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.3 m -126.67 173.87 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.721 0.296 . . . . 0.0 110.649 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.6 m -85.07 155.18 60.83 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.08 176.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.431 ' HB3' ' HG ' ' A' ' 26' ' ' LEU . 14.3 Cg_endo -56.77 -29.91 82.62 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.72 2.28 . . . . 0.0 112.147 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -66.03 -40.34 90.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.458 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.9 m -70.41 -37.07 74.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.707 0.765 . . . . 0.0 109.306 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -69.05 -34.69 75.59 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.961 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -64.47 -38.39 90.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.478 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.464 HG22 HD12 ' A' ' 46' ' ' ILE . 31.9 p -69.96 -22.68 63.14 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.011 -0.275 . . . . 0.0 111.279 177.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -76.99 -40.94 44.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.968 0.414 . . . . 0.0 110.055 175.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.1 t -64.9 -37.75 88.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.378 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.563 ' HB3' HG13 ' A' ' 46' ' ' ILE . 21.2 mmtt -71.02 -18.11 62.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.844 174.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.549 ' HA3' ' HB2' ' A' ' 11' ' ' SER . . . 69.89 39.19 75.55 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.152 -175.576 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.563 HG13 ' HB3' ' A' ' 44' ' ' LYS . 71.8 mt -85.47 -40.35 14.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.105 0.478 . . . . 0.0 110.594 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.54 147.67 41.53 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.738 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.3 mp -111.79 125.25 30.65 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.504 ' HB2' ' HB2' ' A' ' 53' ' ' LYS . 74.0 Cg_endo -75.13 174.66 12.41 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.987 2.458 . . . . 0.0 112.283 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -99.98 -168.09 1.55 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 53.0 tpp -50.34 -47.1 56.04 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.844 -168.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.7 -34.07 80.42 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 113.207 -175.313 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.504 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 9.7 mptt -92.87 -34.76 13.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.534 0.207 . . . . 0.0 111.065 -177.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.62 -42.8 96.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.781 0.324 . . . . 0.0 110.311 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -63.4 -38.92 93.02 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.86 -40.44 95.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.605 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.87 -50.13 67.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.234 176.368 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.31 -43.97 88.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.409 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -63.87 -42.04 97.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.204 0.526 . . . . 0.0 110.74 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -65.53 -33.3 75.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.004 -176.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -100.29 5.76 44.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.446 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 56.41 54.49 7.51 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.595 0.712 . . . . 0.0 111.011 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.9 pt -136.69 -171.45 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.806 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.406 ' HB2' ' OD1' ' A' ' 67' ' ' ASP . 35.9 m-80 -100.73 162.09 13.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.799 0.333 . . . . 0.0 110.191 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -60.21 -31.58 70.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.265 0.555 . . . . 0.0 110.952 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -72.62 -20.83 61.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.03 -176.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.406 ' OD1' ' HB2' ' A' ' 64' ' ' ASN . 6.5 m-20 -67.75 -24.72 65.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.112 0.482 . . . . 0.0 111.098 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.5 mt -92.98 -20.64 20.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.3 mm -90.79 -49.3 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.986 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -89.21 162.74 15.73 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.759 -177.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.591 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 12.4 t70 -80.85 157.6 25.63 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.402 ' H ' ' HG2' ' A' ' 72' ' ' LYS . 18.1 pttm -83.82 12.99 5.23 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.267 0.556 . . . . 0.0 111.232 -177.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -92.45 21.62 5.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.257 177.363 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 71' ' ' ASP . 57.8 mt -78.55 88.59 4.49 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 121.22 0.534 . . . . 0.0 111.838 -173.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -74.5 103.22 4.75 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.336 169.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.7 mm -71.54 132.27 33.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.118 -176.134 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -104.25 91.72 4.04 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.634 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.12 100.9 0.48 Allowed 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.256 177.47 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.1 t -123.41 87.75 51.75 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.991 178.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -73.19 178.24 6.82 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.806 2.337 . . . . 0.0 112.479 -178.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.9 tt -127.82 134.38 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.157 0.503 . . . . 0.0 110.398 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -81.96 94.82 7.22 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.443 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.5 m -114.9 159.13 21.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.744 -178.334 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -97.74 -122.36 4.45 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.8 -176.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -114.37 -178.93 3.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.009 0.433 . . . . 0.0 110.986 -175.241 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.7 t -113.22 177.18 4.72 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 173.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 76.1 mt -90.66 135.95 33.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.946 0.403 . . . . 0.0 110.33 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -81.62 175.16 10.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.473 0.654 . . . . 0.0 110.989 -177.167 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 63.8 m80 -104.63 81.28 1.76 Allowed 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 163.652 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -79.4 52.8 1.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.683 -165.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 63.19 -173.48 0.16 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.793 0.806 . . . . 0.0 112.91 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -145.2 170.38 16.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.57 -177.092 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -91.48 13.03 18.82 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.697 0.761 . . . . 0.0 110.509 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.4 t60 . . . . . 0 C--O 1.247 0.934 0 CA-C-N 114.605 -1.18 . . . . 0.0 108.272 176.37 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.643 0.258 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.9 p -146.57 162.42 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.1 tptm 68.17 86.45 0.13 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.763 0.792 . . . . 0.0 109.605 -176.594 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.694 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 5.0 m-20 -70.78 129.37 38.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.754 -170.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -69.7 -41.67 75.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.91 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -64.16 -32.95 74.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.234 -175.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.694 ' HD3' ' HB2' ' A' ' 4' ' ' ASP . 41.4 mtpt -66.66 -32.54 73.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.974 0.416 . . . . 0.0 110.733 177.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.61 -37.37 59.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.4 174.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.461 HG23 ' HB2' ' A' ' 71' ' ' ASP . 71.7 mt -63.11 -48.83 85.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.997 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -59.67 -51.66 68.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.1 p -62.26 -37.32 85.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.809 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.75 -52.83 63.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.006 0.432 . . . . 0.0 110.449 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -67.63 -43.0 81.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.008 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.5 tp -61.71 -45.04 95.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 110.376 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -65.97 -34.04 77.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.559 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.1 t -53.95 -45.06 71.18 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.208 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -69.3 -49.26 57.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.965 0.412 . . . . 0.0 110.549 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.406 HG21 ' HG2' ' A' ' 25' ' ' GLN . 71.3 mt -64.09 -39.74 86.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.598 -175.195 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.18 -31.98 66.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.306 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -71.84 -41.02 68.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.269 0.556 . . . . 0.0 109.591 176.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.6 t -64.47 154.17 36.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.174 -176.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -99.15 24.01 8.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.946 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.531 ' HE3' ' HG3' ' A' ' 27' ' ' GLU . 41.7 tptt -109.09 150.76 27.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.661 -179.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 p -81.15 146.89 30.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.017 0.436 . . . . 0.0 111.834 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.406 ' HG2' HG21 ' A' ' 18' ' ' ILE . 53.4 mt-30 -61.04 -40.28 93.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.363 178.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.56 -45.91 81.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.824 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.531 ' HG3' ' HE3' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -57.8 -47.37 82.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.161 0.505 . . . . 0.0 110.671 -179.521 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.605 ' O ' HG12 ' A' ' 32' ' ' ILE . 62.9 mt -65.56 -48.89 81.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.636 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.33 84.15 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.718 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -64.12 -39.13 93.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.5 m -67.88 -34.69 77.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.882 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.605 HG12 ' O ' ' A' ' 28' ' ' ILE . 48.5 mm -65.14 -44.36 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.242 0.544 . . . . 0.0 109.537 174.466 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 118.33 18.78 4.85 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.021 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.93 160.04 20.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.993 0.425 . . . . 0.0 110.625 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.7 m -73.62 146.98 86.57 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.188 176.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.68 -26.21 71.79 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.605 2.204 . . . . 0.0 111.401 176.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -63.52 -43.48 97.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.302 176.016 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.6 m -70.82 -39.06 73.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.35 0.595 . . . . 0.0 109.843 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -63.42 -34.66 78.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.909 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -66.49 -39.69 88.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.019 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.0 p -68.07 -22.95 64.91 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.717 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.599 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 54.6 m0 -76.3 -45.16 33.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.241 0.543 . . . . 0.0 109.547 173.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.5 t -62.54 -31.05 71.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.527 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.772 ' HA ' ' HE2' ' A' ' 44' ' ' LYS . 6.9 mmpt? -85.75 -3.73 58.98 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.526 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.1 24.81 75.8 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.903 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.4 mt -77.74 -37.6 24.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.306 0.574 . . . . 0.0 110.13 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.21 150.1 33.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.168 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.527 HD11 ' HA ' ' A' ' 7' ' ' LYS . 86.8 mt -106.54 128.36 26.38 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.691 176.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.599 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 42.7 Cg_endo -64.97 153.37 78.57 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.547 2.165 . . . . 0.0 111.538 178.679 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 54' ' ' VAL . 48.8 mtt180 -90.51 173.93 7.81 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -178.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 82.8 mtp -54.97 -30.78 59.83 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -170.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.59 -45.15 96.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.565 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.584 ' N ' ' HE2' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -85.62 -31.49 22.55 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.48 -0.423 . . . . 0.0 111.078 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 50' ' ' ARG . 65.2 t -63.98 -34.16 66.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.805 0.336 . . . . 0.0 110.289 178.075 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -52.92 -42.47 65.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.74 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.78 -40.02 76.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.759 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.4 -48.12 82.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.513 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.97 -28.58 69.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.077 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.67 -41.84 59.56 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.095 0.474 . . . . 0.0 110.752 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -64.07 -40.61 96.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.965 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -91.0 -6.99 53.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.293 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.2 m120 54.78 57.71 5.45 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.511 0.672 . . . . 0.0 111.237 -176.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.5 pt -134.49 -171.84 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.823 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -96.71 160.43 14.38 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.7 -32.56 74.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.061 0.458 . . . . 0.0 110.212 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.651 ' O ' ' HG2' ' A' ' 70' ' ' GLU . 18.7 p -74.63 -26.06 59.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.721 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -61.81 -24.88 67.15 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -172.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.87 -19.85 22.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.736 0.303 . . . . 0.0 111.473 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.0 mm -87.8 -42.11 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.102 -174.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.651 ' HG2' ' O ' ' A' ' 66' ' ' SER . 7.8 pt-20 -83.12 144.16 30.04 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.258 0.551 . . . . 0.0 111.466 -177.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.461 ' HB2' HG23 ' A' ' 9' ' ' ILE . 11.1 t70 -108.36 126.12 52.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.701 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.584 ' NZ ' ' HB2' ' A' ' 72' ' ' LYS . 2.3 ttmp? 68.04 8.4 6.48 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.759 172.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.519 ' HB3' ' OE2' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -92.61 4.58 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.78 0.8 . . . . 0.0 109.446 174.43 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 73.7 mt -94.31 63.04 3.0 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.086 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 67.7 107.59 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.54 -170.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.0 mm -44.55 123.87 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.729 -171.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -82.42 87.58 6.62 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.79 -1.095 . . . . 0.0 109.237 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.9 t -57.0 138.54 54.2 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.388 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.4 t -120.6 86.74 40.49 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.693 -178.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -81.25 -172.22 1.44 Allowed 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.767 2.311 . . . . 0.0 111.525 176.411 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.2 tt -64.09 140.04 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 172.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.52 ' CD ' ' H ' ' A' ' 82' ' ' GLU . 1.2 pm0 -70.75 112.06 6.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.538 0.685 . . . . 0.0 111.318 -172.59 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.3 t -85.06 172.78 11.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.139 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.31 109.84 2.36 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.039 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.465 ' HD2' ' HB2' ' A' ' 87' ' ' LEU . 79.3 t80 -147.48 133.37 19.1 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -178.147 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.7 m -73.09 99.03 2.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.415 0.626 . . . . 0.0 110.056 177.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.465 ' HB2' ' HD2' ' A' ' 85' ' ' TYR . 57.4 tp -131.06 133.92 46.14 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.356 -174.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.82 131.92 54.72 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -135.7 113.27 10.82 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.947 0.403 . . . . 0.0 110.469 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -92.55 107.74 19.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.578 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -72.53 110.51 6.97 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.357 -177.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -81.62 143.81 31.67 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -129.53 140.66 51.18 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 80.2 t60 . . . . . 0 C--O 1.243 0.728 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.826 178.676 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 121.05 0.452 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.1 t -86.33 108.71 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.12 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -96.38 113.98 25.61 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -69.03 115.77 8.72 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.48 ' O ' HG13 ' A' ' 9' ' ' ILE . 61.6 mttp -69.4 -45.59 68.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.541 -176.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -58.49 -42.94 88.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.075 0.464 . . . . 0.0 110.866 -178.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -66.99 -36.53 82.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.861 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.0 -31.97 64.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.07 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 5' ' ' LYS . 85.7 mt -66.53 -42.5 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 174.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -57.83 -47.87 81.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.981 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 p -67.44 -46.85 71.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.098 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -57.83 -41.6 82.63 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.323 0.583 . . . . 0.0 110.327 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.82 -51.56 64.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.265 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 18' ' ' ILE . 43.6 tp -58.5 -48.05 82.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.335 -179.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -58.92 -32.86 69.94 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.717 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.3 m -58.67 -37.76 76.71 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -75.8 -46.52 30.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.99 178.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.523 HD11 ' HG ' ' A' ' 14' ' ' LEU . 52.3 mt -60.8 -40.82 86.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.619 -174.723 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.25 -12.83 60.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.793 -176.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -104.13 -17.64 14.83 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.142 0.496 . . . . 0.0 110.407 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.9 t -83.1 168.36 16.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.088 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -90.22 -3.68 57.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.281 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.629 ' HG2' ' OH ' ' A' ' 60' ' ' TYR . 1.9 mptm? -86.52 149.15 25.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.621 -176.413 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.5 p -98.35 167.37 10.88 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.378 176.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -60.17 -33.86 72.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.279 0.562 . . . . 0.0 110.303 178.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mt -68.05 -41.54 81.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.352 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -62.39 -50.75 70.3 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.559 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.48 ' O ' HG12 ' A' ' 32' ' ' ILE . 58.8 mt -63.37 -44.48 99.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.84 -177.5 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.99 -42.14 79.7 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.793 0.33 . . . . 0.0 111.064 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' C ' ' HD2' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -60.31 -43.91 95.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.51 177.819 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.3 m -74.99 -18.74 60.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.769 -174.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 28' ' ' ILE . 50.5 mm -87.52 -44.7 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.04 0.448 . . . . 0.0 109.925 175.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.56 28.6 2.28 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.032 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.422 ' HB ' ' HB ' ' A' ' 38' ' ' THR . 27.0 m -131.53 176.74 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.772 0.32 . . . . 0.0 110.721 -178.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 m -84.24 156.53 63.07 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.54 -33.66 93.34 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.577 2.185 . . . . 0.0 111.781 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -73.97 -27.67 61.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.347 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.422 ' HB ' ' HB ' ' A' ' 34' ' ' VAL . 1.8 m -71.14 -38.18 72.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -71.35 -40.52 70.63 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.284 -1.325 . . . . 0.0 110.456 177.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.402 ' HA ' ' HB2' ' A' ' 43' ' ' CYS . 17.7 t30 -68.23 -32.7 73.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.926 -176.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.516 HG22 HD12 ' A' ' 46' ' ' ILE . 1.9 p -67.32 -33.79 76.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.78 0.324 . . . . 0.0 110.665 176.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.523 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 35.0 m0 -70.17 -38.63 75.46 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 171.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 40' ' ' ASN . 96.3 m -62.45 -31.25 71.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.254 177.379 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.419 ' HB3' ' HE3' ' A' ' 44' ' ' LYS . 26.7 mtpp -84.75 -3.55 58.64 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 177.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.61 29.36 74.45 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.61 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.516 HD12 HG22 ' A' ' 41' ' ' THR . 75.6 mt -72.87 -49.48 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.126 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.82 156.77 46.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.069 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.2 mt -100.23 129.41 28.22 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.541 ' HG2' HG22 ' A' ' 54' ' ' VAL . 37.5 Cg_endo -64.82 169.3 11.86 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.625 2.217 . . . . 0.0 112.055 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 54' ' ' VAL . 9.8 ttm180 -75.9 160.32 30.03 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 48.6 ttm -50.43 -41.75 52.94 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -168.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.36 -47.57 90.44 Favored Glycine 0 CA--C 1.516 0.153 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.933 -177.278 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.406 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 49.6 mttp -76.47 -22.01 55.11 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.74 -0.271 . . . . 0.0 111.589 -178.03 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.541 HG22 ' HG2' ' A' ' 49' ' ' PRO . 94.3 t -65.4 -42.69 94.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 173.301 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -66.74 -32.97 74.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.125 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.84 -42.68 94.74 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.737 176.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 53' ' ' LYS . 95.0 mt -59.14 -49.79 76.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.799 177.071 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.21 91.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.83 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.3 -45.42 93.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.041 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' TYR . . . . . 0.629 ' OH ' ' HG2' ' A' ' 23' ' ' LYS . 85.2 t80 -59.46 -38.75 81.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.146 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -90.23 4.86 49.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.959 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 64.55 18.44 11.38 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.185 174.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.1 pt -111.58 179.42 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.033 0.444 . . . . 0.0 111.503 -174.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -93.36 162.6 13.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.563 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' H ' ' HD2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -66.07 -33.67 76.32 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.031 0.443 . . . . 0.0 110.109 179.277 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.403 ' N ' ' HG2' ' A' ' 65' ' ' LYS . 13.5 m -66.94 -21.2 65.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.866 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -73.78 -25.48 60.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 110.445 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 86.3 mt -93.81 -37.06 11.96 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.248 177.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 65' ' ' LYS . 48.8 mm -69.29 -46.4 77.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.004 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -92.38 153.7 19.0 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.834 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -91.12 150.5 21.37 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -84.83 27.36 0.75 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.903 -166.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -93.33 16.92 12.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.17 0.509 . . . . 0.0 109.868 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.24 77.45 1.81 Allowed 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.726 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -94.65 -162.86 0.98 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 176.356 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 45.8 mm -64.71 127.7 25.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.986 0.422 . . . . 0.0 110.678 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -163.78 120.2 1.7 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 p -45.19 116.94 1.22 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -175.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.0 p -117.34 87.74 25.61 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 121.648 0.737 . . . . 0.0 109.78 176.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -72.28 165.86 31.41 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.727 2.285 . . . . 0.0 112.734 -176.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.6 mt -74.92 127.6 36.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.865 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -100.54 -170.54 1.88 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.166 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.7 m -66.24 119.76 12.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.097 0.475 . . . . 0.0 110.836 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.73 -135.58 7.22 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -139.35 -176.45 4.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.841 0.353 . . . . 0.0 110.68 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.2 t -78.03 168.61 19.62 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.216 -177.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.9 pp -76.02 168.53 19.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.944 0.402 . . . . 0.0 110.779 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -93.73 142.74 27.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.258 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -69.92 160.29 32.14 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -103.44 162.42 13.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.046 0.45 . . . . 0.0 111.593 -173.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -64.5 -70.56 0.22 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.823 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.496 ' HB3' ' H ' ' A' ' 93' ' ' HIS . 3.3 t60 176.94 -90.55 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.195 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.496 ' H ' ' HB3' ' A' ' 92' ' ' HIS . 29.3 m80 -149.29 -58.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 171.33 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.0 m170 . . . . . 0 C--O 1.244 0.796 0 CA-C-O 118.432 -0.794 . . . . 0.0 109.64 172.496 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.1 mtt . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.818 0.342 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.1 m -120.47 -31.05 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.436 173.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt 66.5 -74.46 0.06 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.357 0.663 . . . . 0.0 111.473 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.428 ' HB3' ' HB3' ' A' ' 7' ' ' LYS . 15.9 t70 -165.47 129.47 2.31 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 176.021 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -69.69 -49.63 51.65 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -173.213 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -73.84 -30.72 62.83 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.744 -175.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 4' ' ' ASP . 41.8 ttmt -62.3 -42.9 99.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.305 175.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.66 -40.89 92.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.8 -51.29 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.402 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 91.9 t80 -56.34 -49.8 73.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.413 -178.254 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.495 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 23.9 p -61.14 -45.99 92.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.106 -177.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -69.33 -42.42 75.37 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -59.58 -52.28 66.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.708 0.29 . . . . 0.0 110.716 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' O ' HG13 ' A' ' 18' ' ' ILE . 58.2 tp -62.98 -41.11 99.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.84 0.352 . . . . 0.0 110.481 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' A' ' 11' ' ' SER . 13.1 t-20 -56.28 -44.72 80.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.44 -177.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.7 p -60.64 -47.73 84.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.169 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -60.28 -38.55 83.94 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.657 0.265 . . . . 0.0 110.937 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 14' ' ' LEU . 88.2 mt -63.72 -48.64 85.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.931 0.396 . . . . 0.0 110.627 178.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.21 -32.63 74.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.469 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -76.04 -29.91 58.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.65 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.9 t -77.95 -11.85 59.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.382 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 65.28 14.24 9.29 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.517 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -87.97 150.34 23.5 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 120.851 0.358 . . . . 0.0 110.123 178.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.3 p -81.47 160.6 23.94 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 176.133 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -60.01 -36.73 77.85 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.384 0.611 . . . . 0.0 109.38 175.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.83 -44.89 91.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.905 177.329 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.11 -53.2 59.92 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.432 ' O ' HG13 ' A' ' 32' ' ' ILE . 53.7 mt -68.57 -42.67 83.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.88 -177.485 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.93 -45.66 91.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.978 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.47 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 8.0 tmtm? -63.08 -38.14 89.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.081 0.467 . . . . 0.0 109.952 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.4 m -67.42 -28.26 67.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.066 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 28' ' ' ILE . 73.9 mt -86.87 -44.76 16.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.98 0.419 . . . . 0.0 110.82 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.32 -13.89 8.31 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.096 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -82.78 159.02 3.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.819 0.343 . . . . 0.0 110.849 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 m -76.54 144.02 73.11 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.131 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.84 -33.55 88.75 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.108 2.539 . . . . 0.0 112.787 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -58.78 -45.39 89.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.924 0.392 . . . . 0.0 110.571 177.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.6 m -67.65 -38.42 83.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.62 0.724 . . . . 0.0 109.591 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.64 -42.17 98.17 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.08 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -69.29 -33.32 73.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.363 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.418 ' HA ' HD12 ' A' ' 46' ' ' ILE . 31.8 p -68.11 -23.29 64.89 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.825 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.673 ' CE2' ' HB3' ' A' ' 49' ' ' PRO . 31.5 m0 -77.57 -45.73 24.41 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 172.069 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.4 m -58.3 -37.16 74.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.825 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -89.15 10.49 21.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.715 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.08 40.38 93.44 Favored Glycine 0 C--N 1.329 0.186 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.872 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 41' ' ' THR . 72.9 mt -92.52 -58.76 3.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.246 0.546 . . . . 0.0 109.801 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.54 155.21 40.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.498 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.416 HG13 ' HE2' ' A' ' 7' ' ' LYS . 97.2 mt -100.98 129.12 27.92 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.673 ' HB3' ' CE2' ' A' ' 42' ' ' TRP . 61.6 Cg_endo -70.83 145.7 51.64 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.497 2.131 . . . . 0.0 111.482 177.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -76.7 169.72 17.77 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.124 178.304 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 51.1 ttp -59.29 -27.74 66.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -167.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.99 -32.05 82.78 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.289 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.476 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 3.2 mptp? -90.63 -36.05 14.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.722 0.296 . . . . 0.0 110.455 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.54 -39.89 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.056 0.455 . . . . 0.0 110.149 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -60.63 -41.6 95.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.739 177.224 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.87 85.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.18 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.56 -50.79 69.95 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.866 0.365 . . . . 0.0 110.45 177.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.49 72.39 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.657 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.44 -46.82 65.84 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.237 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -67.69 -38.52 83.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.139 0.495 . . . . 0.0 110.843 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -89.12 -6.13 57.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.143 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.9 m120 53.87 49.65 18.6 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.392 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.6 pt -129.46 -171.7 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.656 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -97.4 159.53 14.86 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -68.87 -30.6 69.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.996 0.427 . . . . 0.0 110.781 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.9 m -71.75 -22.56 61.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.401 -178.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -64.62 -27.91 69.26 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.954 0.407 . . . . 0.0 110.97 -178.101 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.472 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 97.8 mt -93.76 -20.73 19.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.314 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.8 mm -93.71 -40.14 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -174.346 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . 0.543 ' HB3' HD11 ' A' ' 74' ' ' LEU . 5.2 mm-40 -90.02 153.88 20.24 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.661 0.743 . . . . 0.0 112.68 -172.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -92.36 177.21 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.796 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -92.68 3.36 55.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.545 0.688 . . . . 0.0 110.16 177.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -84.17 27.06 0.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.845 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 70' ' ' GLU . 80.9 mt -85.26 9.11 16.14 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.66 0.743 . . . . 0.0 110.022 174.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -87.99 119.24 28.17 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.31 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 51.8 mm -67.1 141.26 18.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.211 -175.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -86.28 101.06 12.72 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 122.095 0.95 . . . . 0.0 109.844 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.543 ' O ' ' HD3' ' A' ' 80' ' ' PRO . 58.1 p -67.93 -163.99 0.04 OUTLIER 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.311 -1.313 . . . . 0.0 110.977 175.1 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.9 t -103.83 88.41 1.87 Allowed Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.543 ' HD3' ' O ' ' A' ' 78' ' ' THR . 83.7 Cg_endo -79.24 -162.74 0.19 Allowed 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 123.049 2.499 . . . . 0.0 112.915 -173.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.5 tt -67.56 159.51 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.25 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 83' ' ' SER . 46.5 mt-10 -66.02 -169.74 0.07 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 82' ' ' GLU . 44.9 m 75.6 25.51 1.2 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.494 -172.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.65 132.59 12.11 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.152 -178.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -84.79 107.54 17.01 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.3 p -71.38 -44.98 63.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.948 -175.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.9 tt 64.86 91.84 0.08 Allowed 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.735 0.647 . . . . 0.0 109.669 -178.018 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -109.12 154.44 22.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.89 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -130.12 96.11 4.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.574 0.702 . . . . 0.0 109.815 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -104.24 96.47 6.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.067 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -74.01 115.53 13.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.761 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -86.01 139.77 30.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.93 0.395 . . . . 0.0 110.672 -175.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -147.85 137.51 22.53 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 174.241 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.562 -0.732 . . . . 0.0 110.142 -178.672 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.4 mtm . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.655 -0.128 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t 48.52 78.08 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 O-C-N 124.058 0.849 . . . . 0.0 111.941 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -136.81 155.55 49.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.295 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.5 t70 69.66 105.2 0.06 Allowed 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.081 0.863 . . . . 0.0 111.415 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -70.53 -29.27 65.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.278 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -67.14 -40.81 86.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.321 -173.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HA ' HD11 ' A' ' 48' ' ' ILE . 97.8 mttt -56.45 -34.4 66.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 111.166 178.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.91 -46.72 56.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.983 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.4 mt -68.3 -51.43 47.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.708 0.289 . . . . 0.0 110.958 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -58.56 -49.19 78.32 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.303 -177.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.5 t -68.74 -35.44 77.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.816 -177.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.85 -52.23 65.93 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.352 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -59.84 -46.88 87.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.7 tp -56.54 -45.87 80.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.399 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -57.91 -41.87 83.55 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.2 m -56.91 -51.6 68.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.356 -177.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -67.9 -43.55 79.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.103 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 86.9 mt -60.7 -47.57 92.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.855 0.36 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.31 -17.37 62.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.8 -176.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -81.44 -15.91 53.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.047 0.451 . . . . 0.0 111.416 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.0 t -100.5 139.53 36.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.722 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -100.51 94.88 6.37 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.596 ' HE2' ' HG3' ' A' ' 27' ' ' GLU . 71.0 tttt -161.64 -174.0 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -177.557 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.57 ' H ' ' HG2' ' A' ' 23' ' ' LYS . 12.6 p -101.55 138.31 38.71 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.403 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -61.45 -34.09 74.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.554 177.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.465 ' HG ' ' HG3' ' A' ' 36' ' ' PRO . 1.1 tt -54.37 -46.55 73.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.889 176.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.596 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 1.3 tm-20 -56.76 -45.6 81.98 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.152 0.501 . . . . 0.0 110.671 179.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.467 ' O ' HG13 ' A' ' 32' ' ' ILE . 54.9 mt -63.88 -47.99 88.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.617 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.24 -39.47 92.94 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.032 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 30' ' ' LYS . 13.5 tmtt? -62.92 -41.08 99.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.451 178.111 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.8 t -65.53 -40.49 92.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.467 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 28' ' ' ILE . 76.5 mt -64.08 -44.53 97.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.14 0.495 . . . . 0.0 110.175 176.197 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.72 23.95 5.44 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.073 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.2 m -123.7 174.46 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.6 0.238 . . . . 0.0 110.657 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.4 m -85.6 146.49 44.22 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 120.906 0.384 . . . . 0.0 110.618 178.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.465 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 52.4 Cg_exo -54.61 -37.01 90.88 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 123.112 2.541 . . . . 0.0 113.033 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -69.8 -28.72 65.97 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.644 0.259 . . . . 0.0 111.618 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.3 m -71.64 -38.8 70.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -67.35 -37.48 83.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.456 -1.247 . . . . 0.0 109.871 175.12 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -63.37 -44.16 95.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.514 HG22 HD12 ' A' ' 46' ' ' ILE . 3.1 p -63.64 -32.16 73.55 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.603 0.239 . . . . 0.0 111.593 179.219 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.509 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 43.3 m0 -70.01 -41.68 74.0 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.237 0.541 . . . . 0.0 109.791 175.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.9 t -71.54 -15.29 62.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.981 -177.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -94.97 -4.36 46.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 120.744 0.307 . . . . 0.0 110.923 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.91 25.13 70.09 Favored Glycine 0 N--CA 1.453 -0.168 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.005 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.514 HD12 HG22 ' A' ' 41' ' ' THR . 65.8 mt -80.59 -39.4 18.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.053 0.454 . . . . 0.0 110.617 -179.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.69 156.79 42.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.67 -178.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.451 HD11 ' HA ' ' A' ' 7' ' ' LYS . 97.3 mt -115.21 126.66 27.56 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.018 177.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.509 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 83.0 Cg_endo -73.6 166.49 29.66 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.229 2.619 . . . . 0.0 112.422 -179.136 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -79.77 174.89 11.13 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.893 0.378 . . . . 0.0 111.425 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.5 tpt -53.27 -34.7 58.33 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.063 -175.304 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.95 -31.08 60.96 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.875 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 13.9 mptt -99.26 -35.77 9.86 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.846 -0.208 . . . . 0.0 110.848 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.0 t -61.69 -42.03 92.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 110.767 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -59.94 -42.56 94.26 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.17 -36.9 85.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.206 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.2 mt -60.38 -51.16 70.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.088 0.47 . . . . 0.0 110.689 177.043 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.71 -22.73 62.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.019 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -77.87 -41.07 37.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.614 -179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -59.18 -40.92 87.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.083 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -90.48 -7.95 51.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.854 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.9 t30 55.93 67.66 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.672 -176.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.8 pt -136.78 -168.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.298 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.417 ' HB2' ' OD2' ' A' ' 67' ' ' ASP . 53.5 m-80 -90.94 156.14 18.2 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 175.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.709 ' H ' ' HD2' ' A' ' 65' ' ' LYS . 9.1 mptt -68.02 -36.11 79.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.41 0.624 . . . . 0.0 109.334 -178.555 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.5 p -68.46 -19.3 64.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.79 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.417 ' OD2' ' HB2' ' A' ' 64' ' ' ASN . 5.1 m-20 -65.82 -30.49 71.13 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.991 0.424 . . . . 0.0 111.021 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.4 mt -93.39 -20.72 20.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.114 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 65' ' ' LYS . 41.5 mt -97.13 -50.5 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.633 -174.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -88.71 159.92 17.58 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -172.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.529 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 24.9 t0 -53.69 139.18 33.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.214 177.504 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -72.17 11.68 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -175.236 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -84.57 18.02 2.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.203 0.525 . . . . 0.0 110.349 175.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 71' ' ' ASP . 91.5 mt -64.57 84.34 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.18 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -82.01 -179.09 7.27 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.568 -1.197 . . . . 0.0 109.712 175.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 40.6 mm -88.73 119.97 36.76 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.993 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -110.99 84.1 1.87 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.051 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.0 t -179.02 149.55 0.43 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.462 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.441 ' HA ' ' HD2' ' A' ' 80' ' ' PRO . 40.3 t -117.54 88.09 27.93 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 174.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 79' ' ' VAL . 10.5 Cg_endo -52.35 105.93 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 123.295 2.663 . . . . 0.0 112.835 -173.146 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.714 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.2 mp -65.97 125.3 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.107 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.38 103.65 1.07 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.317 -176.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.9 m -85.73 171.93 11.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.874 -174.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -73.44 122.65 7.95 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.883 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -65.82 139.2 58.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.933 0.397 . . . . 0.0 110.506 176.346 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.6 p -60.76 138.22 58.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.779 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.95 134.59 57.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.05 0.452 . . . . 0.0 110.976 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.53 ' OE2' ' HA ' ' A' ' 91' ' ' HIS . 8.5 pt-20 -69.62 140.61 53.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.279 -178.57 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -88.89 -27.55 20.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.903 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -113.69 105.67 13.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.678 173.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' HIS . . . . . 0.53 ' HA ' ' OE2' ' A' ' 88' ' ' GLU . 11.0 t60 -72.77 -30.03 63.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.356 -177.224 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.62 150.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 174.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.4 t60 70.75 134.16 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 124.046 0.841 . . . . 0.0 110.933 -175.109 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 . . . . . 0 C--O 1.244 0.785 0 CA-C-O 118.507 -0.758 . . . . 0.0 109.562 174.564 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.1 t -87.28 99.23 8.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.319 0.58 . . . . 0.0 111.353 -175.264 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -138.38 152.15 48.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.017 173.153 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.861 ' HB2' ' HG2' ' A' ' 7' ' ' LYS . 20.1 m-20 -61.32 137.48 58.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.654 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.431 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -64.96 -24.98 67.68 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 177.073 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -67.88 -32.92 73.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.223 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.861 ' HG2' ' HB2' ' A' ' 4' ' ' ASP . 45.7 mmtm -61.97 -46.01 91.15 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.16 -42.73 88.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.279 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.2 mt -63.74 -51.29 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -57.97 -49.94 75.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.216 -178.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.2 p -65.29 -46.33 80.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.715 -175.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -67.07 -36.37 81.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.92 0.391 . . . . 0.0 110.554 -178.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -62.35 -52.29 64.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.678 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.471 ' O ' HG13 ' A' ' 18' ' ' ILE . 65.3 tp -61.15 -45.01 96.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.009 178.16 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -56.36 -37.43 70.04 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.655 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 49.2 m -62.22 -40.55 96.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.12 177.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -66.93 -45.55 77.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.645 0.26 . . . . 0.0 110.718 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 14' ' ' LEU . 63.9 mt -55.49 -51.41 57.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.282 -177.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.25 -26.75 62.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.02 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 16' ' ' SER . 25.4 mttp -93.67 -0.87 55.87 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -175.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.6 m -98.6 -5.33 32.13 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.788 173.606 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 52.79 47.19 25.22 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.944 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -130.89 145.59 52.06 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.7 p -84.33 160.48 20.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.993 0.425 . . . . 0.0 111.422 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 97.1 mt-30 -58.59 -38.47 78.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.452 0.644 . . . . 0.0 109.606 175.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -60.93 -48.81 80.09 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.418 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -61.59 -35.38 77.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 0.0 111.787 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.0 mt -74.28 -47.55 40.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.784 0.326 . . . . 0.0 110.724 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.67 -30.75 70.93 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.039 0.447 . . . . 0.0 110.754 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.12 -42.09 76.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.515 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.7 t -77.41 -32.6 54.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.994 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.446 HD11 HD23 ' A' ' 57' ' ' LEU . 62.1 mt -74.39 -44.89 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -177.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.04 39.91 2.39 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.688 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 19.7 m -133.44 159.75 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.543 0.211 . . . . 0.0 110.693 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.2 m -77.47 145.42 71.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.583 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.1 -33.29 97.2 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 123.114 2.542 . . . . 0.0 113.259 -177.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -66.48 -31.58 72.41 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.023 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.3 m -78.61 -30.0 46.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.637 0.732 . . . . 0.0 109.692 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.401 ' HA ' ' CE3' ' A' ' 42' ' ' TRP . 57.0 t80 -71.23 -35.15 71.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.934 175.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -63.32 -36.83 84.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.991 -177.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -32.36 73.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.615 0.245 . . . . 0.0 111.421 177.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.568 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 27.1 m0 -74.99 -43.93 51.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.429 0.633 . . . . 0.0 109.683 176.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.9 t -67.23 -28.41 68.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.18 -177.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.615 ' HD3' HD11 ' A' ' 46' ' ' ILE . 32.1 tttp -85.17 -2.61 58.21 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.233 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.2 31.23 64.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 113.121 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.615 HD11 ' HD3' ' A' ' 44' ' ' LYS . 61.6 mt -89.61 -37.18 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.941 0.401 . . . . 0.0 110.765 -179.242 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.5 163.16 40.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.929 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.3 mt -111.95 134.64 21.34 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.655 176.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.568 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 60.5 Cg_endo -69.95 173.72 10.73 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.507 2.138 . . . . 0.0 112.086 178.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.416 ' O ' HG23 ' A' ' 54' ' ' VAL . 57.2 ttt180 -70.19 159.29 34.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.139 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 54.1 tpp -51.18 -45.83 61.92 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -172.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.11 -39.21 96.81 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.598 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -73.48 -29.36 62.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.659 0.266 . . . . 0.0 111.095 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 50' ' ' ARG . 93.9 t -65.69 -41.2 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.225 0.536 . . . . 0.0 109.645 173.197 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -63.2 -35.02 78.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.891 176.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.81 -35.91 82.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 110.732 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.446 HD23 HD11 ' A' ' 32' ' ' ILE . 77.7 mt -64.61 -51.96 59.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.396 176.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.99 82.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.821 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.76 -45.98 92.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.019 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -67.33 -31.13 71.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.183 -175.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -89.68 -5.0 57.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.919 0.39 . . . . 0.0 110.667 176.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.5 t30 59.18 52.34 6.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.672 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.7 pt -135.77 -171.49 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.124 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -102.35 159.84 15.06 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 176.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -65.9 -28.78 69.19 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -59.17 -25.65 64.1 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.288 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -76.1 -24.63 55.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.404 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.7 mt -94.49 -43.4 8.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.338 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.5 mm -70.21 -47.21 68.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.258 -175.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -81.65 157.37 24.68 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 121.03 0.443 . . . . 0.0 110.362 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.416 ' OD2' ' HG ' ' A' ' 74' ' ' LEU . 13.4 t0 -94.81 132.8 39.2 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.583 -178.291 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -92.04 -5.46 52.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.805 -178.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -86.06 4.1 39.58 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 122.312 1.053 . . . . 0.0 109.009 173.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.416 ' HG ' ' OD2' ' A' ' 71' ' ' ASP . 81.7 mt -93.4 80.55 4.38 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.158 172.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.86 110.38 2.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.611 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.79 133.6 21.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.53 -176.201 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -121.41 111.54 17.43 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -174.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.63 ' O ' ' HD3' ' A' ' 80' ' ' PRO . 13.5 t -51.43 160.35 0.6 Allowed 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.497 177.066 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.7 p -104.01 88.32 1.91 Allowed Pre-proline 0 C--N 1.321 -0.631 0 CA-C-O 121.751 0.786 . . . . 0.0 109.667 175.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.63 ' HD3' ' O ' ' A' ' 78' ' ' THR . 16.4 Cg_exo -67.03 163.81 32.48 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.9 2.4 . . . . 0.0 112.592 -172.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.4 tt -63.33 140.32 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.197 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.684 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -93.4 165.64 12.68 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.904 -176.449 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.7 t -113.04 114.91 27.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.5 -175.224 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.25 -85.75 0.41 Allowed Glycine 0 C--N 1.331 0.283 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' TYR . . . . . 0.421 ' HA ' ' OE1' ' A' ' 82' ' ' GLU . 23.2 p90 -148.52 110.41 4.54 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 171.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.684 ' HB ' ' HB2' ' A' ' 82' ' ' GLU . 15.2 m -129.96 138.16 50.7 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.275 -177.661 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 98.5 mt -76.64 87.59 3.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.112 0.482 . . . . 0.0 111.104 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.88 -164.04 0.98 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 172.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -130.33 112.89 13.73 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.633 -173.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -90.83 116.3 28.55 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -132.29 97.98 4.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.911 0.386 . . . . 0.0 110.072 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -88.35 144.68 26.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.773 -176.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -82.95 29.33 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.347 0.594 . . . . 0.0 111.125 -177.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.7 t60 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.745 178.033 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.2 mtp . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.0 m -114.99 12.67 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.681 0.277 . . . . 0.0 111.294 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -73.97 -49.25 25.39 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.885 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.857 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 23.7 m-20 62.98 112.06 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 O-C-N 123.986 0.804 . . . . 0.0 111.239 -175.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.562 ' O ' HG13 ' A' ' 9' ' ' ILE . 52.0 tttm -59.06 -27.81 65.88 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 175.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.535 ' HA ' HD12 ' A' ' 9' ' ' ILE . 6.6 tp-100 -55.79 -35.73 66.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.55 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.857 ' HE3' ' HB2' ' A' ' 4' ' ' ASP . 5.3 mtmt -66.65 -35.65 80.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.021 0.438 . . . . 0.0 110.756 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.02 -34.05 59.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.543 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 5' ' ' LYS . 77.9 mt -60.4 -50.84 78.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.213 177.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -53.91 -45.11 71.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.235 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.4 t -61.23 -52.55 64.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.889 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.19 -53.32 59.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.497 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -64.42 -44.16 92.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.581 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.553 ' HG ' HD11 ' A' ' 18' ' ' ILE . 42.3 tp -61.24 -47.84 84.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.532 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -57.98 -35.81 71.72 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.812 -178.155 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 m -61.42 -42.24 98.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -77.62 -37.19 50.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.124 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.553 HD11 ' HG ' ' A' ' 14' ' ' LEU . 79.7 mt -57.71 -50.05 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.768 0.318 . . . . 0.0 110.902 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.08 -34.24 77.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.501 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -79.08 -26.39 43.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.732 -178.104 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.7 t -78.64 -33.26 47.35 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 173.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 65.07 28.45 12.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.275 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -96.65 145.25 25.94 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 167.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.2 p -71.53 156.53 39.32 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.594 -174.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -57.82 -35.52 70.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.288 0.566 . . . . 0.0 109.843 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.0 mt -61.35 -49.87 75.21 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.739 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -61.04 -43.19 99.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.746 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.524 ' O ' HG12 ' A' ' 32' ' ' ILE . 63.9 mt -64.68 -47.09 90.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.715 178.763 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.17 87.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.771 0.319 . . . . 0.0 110.685 178.421 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -58.81 -42.08 88.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.635 175.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -67.82 -40.71 83.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.808 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 28' ' ' ILE . 46.2 mm -69.3 -43.14 81.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.124 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.89 26.19 4.81 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.231 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.5 m -129.58 164.48 32.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.683 0.278 . . . . 0.0 110.558 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.3 m -71.88 144.15 87.62 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.269 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.77 -30.45 92.05 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 123.068 2.512 . . . . 0.0 112.505 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.473 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 44.2 mt-30 -75.2 -22.91 57.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.813 0.339 . . . . 0.0 111.32 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 m -77.61 -37.0 51.18 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -62.51 -35.09 78.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.707 173.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASN . . . . . 0.473 ' HB3' ' O ' ' A' ' 37' ' ' GLN . 2.8 t30 -54.07 -48.28 70.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.898 178.392 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 p -67.56 -24.22 65.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.725 0.298 . . . . 0.0 111.673 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.534 ' CE2' ' HB3' ' A' ' 49' ' ' PRO . 49.3 m0 -79.85 -47.79 14.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.28 0.562 . . . . 0.0 110.036 177.456 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 46.6 t -64.15 -29.11 70.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.054 -177.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -80.46 -8.19 59.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.586 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.22 37.25 80.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.962 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.6 mt -89.07 -39.32 12.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.53 147.41 27.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.199 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.6 mt -100.22 127.14 34.01 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.276 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.534 ' HB3' ' CE2' ' A' ' 42' ' ' TRP . 56.9 Cg_endo -68.64 174.46 8.46 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 123.017 2.478 . . . . 0.0 112.632 -178.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -75.91 153.52 36.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.855 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -50.95 -30.5 15.06 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.15 -47.53 60.75 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 121.439 -0.41 . . . . 0.0 113.184 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -89.35 -23.49 22.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.881 0.341 . . . . 0.0 111.191 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.421 HG22 ' HG2' ' A' ' 49' ' ' PRO . 98.5 t -62.79 -44.36 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.025 0.44 . . . . 0.0 110.192 176.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.472 ' OE1' ' HE2' ' A' ' 65' ' ' LYS . 51.7 tp60 -65.18 -32.59 74.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.0 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.53 -43.16 90.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.668 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.4 mt -59.17 -51.06 71.62 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.591 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.37 94.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.211 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -68.85 -36.49 78.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -61.17 -38.98 88.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.839 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -90.4 3.53 53.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.777 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 54.18 48.23 21.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.387 -177.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.3 pt -122.93 -172.24 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.234 176.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -101.65 160.33 14.55 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.629 ' O ' HG13 ' A' ' 69' ' ' ILE . 20.0 ptpt -58.31 -30.81 66.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.242 0.544 . . . . 0.0 109.598 177.381 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 m -60.26 -29.28 68.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.355 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.61 -28.95 70.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.137 0.494 . . . . 0.0 110.77 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.9 mt -95.14 -20.86 18.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.404 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.629 HG13 ' O ' ' A' ' 65' ' ' LYS . 24.6 mt -97.09 -38.15 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -174.198 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.26 157.32 26.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.257 0.551 . . . . 0.0 110.745 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -83.39 158.18 22.23 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.184 -175.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.06 8.9 9.52 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -174.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -84.2 42.01 0.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 122.184 0.992 . . . . 0.0 109.751 176.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.9 mt -80.23 81.49 6.48 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.003 -177.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -116.5 136.38 53.03 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 171.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.4 ' CD1' ' H ' ' A' ' 88' ' ' GLU . 28.5 mt -59.81 121.83 8.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.567 0.698 . . . . 0.0 111.314 -175.221 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 79' ' ' VAL . 13.2 t70 -152.19 114.41 4.48 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.9 m -46.61 108.09 0.13 Allowed 'General case' 0 C--N 1.318 -0.79 0 O-C-N 124.34 1.025 . . . . 0.0 113.536 -169.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 77' ' ' ASP . 60.8 t -136.53 87.58 21.19 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 114.352 -1.294 . . . . 0.0 107.764 173.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -38.71 86.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 124.838 3.692 . . . . 0.0 115.345 -169.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 27.8 mm -152.53 146.13 15.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -76.48 91.05 3.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.131 0.491 . . . . 0.0 110.399 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.3 p -101.61 105.64 16.6 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.166 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.8 56.8 5.06 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 121.215 -0.516 . . . . 0.0 112.817 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -161.5 117.67 2.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.237 0.542 . . . . 0.0 110.308 176.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.3 m -103.36 113.59 27.21 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.151 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -83.67 -52.77 6.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.896 176.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 89' ' ' HIS . 24.9 tt0 69.73 154.42 0.12 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.038 0.837 . . . . 0.0 111.351 178.259 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.435 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 43.3 t-80 74.06 112.7 0.07 Allowed 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.758 172.692 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -79.7 -71.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.388 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 -160.3 -98.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.731 -0.387 . . . . 0.0 111.018 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -173.47 -160.54 0.12 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -174.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -106.95 -175.14 2.71 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 172.057 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.448 -178.974 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.642 0.258 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 52.3 t -78.62 -68.77 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 110.712 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -100.25 74.55 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.968 0.89 . . . . 0.0 110.706 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.7 24.7 11.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.065 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.463 ' NZ ' ' HB2' ' A' ' 5' ' ' LYS . 4.7 ttmp? -60.73 -24.77 65.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.479 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -59.5 -34.9 73.17 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.422 176.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.595 ' HG2' HG13 ' A' ' 48' ' ' ILE . 64.5 mttp -71.13 -29.05 64.76 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.316 -178.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.91 -39.84 75.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.049 0.452 . . . . 0.0 110.079 177.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.7 mt -67.06 -44.44 88.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.896 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.558 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 89.5 t80 -55.34 -53.71 52.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.136 178.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 p -65.14 -46.15 82.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.753 -176.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -60.22 -42.31 94.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.632 0.253 . . . . 0.0 111.064 -177.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -63.86 -43.49 95.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.455 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 18' ' ' ILE . 31.2 tp -59.74 -51.37 70.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.585 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -55.98 -45.18 79.03 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.911 0.386 . . . . 0.0 111.303 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.8 m -60.15 -42.09 94.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.982 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -74.44 -38.79 62.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.83 0.348 . . . . 0.0 111.073 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.527 HG21 ' HG2' ' A' ' 25' ' ' GLN . 80.6 mt -67.89 -47.27 79.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.238 -178.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.09 -25.08 65.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.787 0.327 . . . . 0.0 111.366 -177.125 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -81.42 -20.98 39.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.195 0.522 . . . . 0.0 110.396 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.9 t -82.15 160.49 23.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.298 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.6 -34.59 58.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.365 -178.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -76.52 150.19 36.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.513 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.0 p -88.88 171.93 9.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.292 0.568 . . . . 0.0 111.731 -176.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.527 ' HG2' HG21 ' A' ' 18' ' ' ILE . 45.3 mt-30 -54.79 -37.1 65.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.298 173.874 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.87 -38.75 83.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.529 -178.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.79 -49.55 70.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.783 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.447 ' O ' HG13 ' A' ' 32' ' ' ILE . 62.5 mt -62.49 -44.03 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 -178.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.72 93.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.878 0.37 . . . . 0.0 111.061 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -68.27 -38.39 81.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.744 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.7 t -61.22 -43.08 99.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.271 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 28' ' ' ILE . 64.5 mt -69.56 -44.69 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.309 177.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.95 31.32 2.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.304 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.441 ' CG1' ' HD3' ' A' ' 53' ' ' LYS . 34.7 m -119.81 157.05 22.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.771 0.319 . . . . 0.0 110.544 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.6 m -69.44 144.31 94.3 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.773 176.314 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.87 -26.39 67.27 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.128 1.886 . . . . 0.0 111.903 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 90.0 mt-30 -64.54 -44.2 91.59 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 121.001 0.429 . . . . 0.0 110.676 175.509 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 m -69.03 -42.94 75.69 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.576 0.703 . . . . 0.0 109.269 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.92 -38.68 83.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.969 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -65.16 -45.01 86.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.904 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.404 HG22 HD12 ' A' ' 46' ' ' ILE . 26.5 p -64.22 -25.8 68.23 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.438 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.445 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 50.5 m0 -75.75 -45.98 33.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.203 0.525 . . . . 0.0 109.812 174.488 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 t -71.21 -18.78 62.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.037 -176.138 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -91.6 -3.99 55.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.313 176.136 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.26 29.08 66.89 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.563 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.404 HD12 HG22 ' A' ' 41' ' ' THR . 67.2 mt -84.52 -40.69 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.035 0.445 . . . . 0.0 110.361 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.68 154.95 38.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.18 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.595 HG13 ' HG2' ' A' ' 7' ' ' LYS . 73.3 mt -114.85 129.84 24.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.365 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.445 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 40.7 Cg_endo -65.57 -170.42 0.17 Allowed 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.066 2.51 . . . . 0.0 112.802 -178.557 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.576 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 3.6 mmp_? -87.64 162.45 17.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.201 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.6 ptp -53.57 -34.42 58.27 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.545 0.528 . . . . 0.0 112.183 -171.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.81 -40.64 98.63 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.489 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.441 ' HD3' ' CG1' ' A' ' 34' ' ' VAL . 14.8 ttmt -84.39 -29.35 26.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.775 0.321 . . . . 0.0 110.225 -177.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.418 ' HA ' HD12 ' A' ' 57' ' ' LEU . 90.5 t -63.78 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 171.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.88 -37.58 87.48 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.153 175.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.59 87.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.751 0.31 . . . . 0.0 111.04 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 54' ' ' VAL . 81.5 mt -62.8 -51.54 66.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.378 176.408 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.8 74.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.786 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.88 -42.17 97.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.743 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -64.28 -38.06 89.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.961 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.503 ' HB2' HG12 ' A' ' 63' ' ' ILE . 90.7 m-85 -92.65 -4.28 53.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.7 t30 61.91 27.5 16.72 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.559 0.695 . . . . 0.0 110.789 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.503 HG12 ' HB2' ' A' ' 61' ' ' PHE . 35.0 pt -107.93 -171.67 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.667 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -95.71 152.94 18.01 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -62.91 -29.08 70.5 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.098 0.475 . . . . 0.0 109.981 176.032 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.3 p -68.03 -24.85 65.15 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.142 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.92 -24.62 67.08 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.841 0.353 . . . . 0.0 111.173 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.558 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 91.1 mt -93.63 -20.91 19.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.898 0.38 . . . . 0.0 111.031 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.8 mm -101.02 -43.23 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -172.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -73.93 162.27 29.24 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -170.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -95.27 -178.33 4.42 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.175 -176.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? 74.8 6.85 4.39 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.63 0.772 . . . . 0.0 110.75 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.495 ' HB3' ' NZ ' ' A' ' 73' ' ' LYS . 9.4 mtpm? -98.56 16.97 20.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.189 0.519 . . . . 0.0 110.877 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.37 78.68 8.99 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.574 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -102.87 129.32 49.52 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 176.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.1 mm -77.7 123.52 34.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.483 0.659 . . . . 0.0 111.609 -173.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -142.4 11.25 1.91 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.849 -1.069 . . . . 0.0 108.923 173.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.573 ' O ' ' HD3' ' A' ' 80' ' ' PRO . 17.2 p -115.82 -166.4 1.13 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.439 -177.271 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 44.0 t -106.8 89.12 4.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.081 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' PRO . . . . . 0.573 ' HD3' ' O ' ' A' ' 78' ' ' THR . 3.3 Cg_exo -72.18 108.66 2.53 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.718 2.278 . . . . 0.0 112.209 -176.025 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 46.2 mm -77.93 150.42 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 176.17 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -52.33 117.39 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.449 0.642 . . . . 0.0 111.274 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.7 m -152.22 160.91 43.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.565 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -135.76 179.83 17.38 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.095 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -145.75 172.39 13.38 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.9 m -140.96 20.51 2.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.863 0.84 . . . . 0.0 109.8 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 87' ' ' LEU . 1.8 tm? -80.42 101.47 9.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.374 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.71 -33.17 20.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.033 -178.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 58.35 62.88 1.86 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.511 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -62.75 113.0 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.625 174.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -69.94 130.0 41.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.067 0.46 . . . . 0.0 110.887 -177.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -137.06 119.44 15.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.28 177.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -92.61 155.87 17.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.062 -178.337 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 . . . . . 0 C--O 1.245 0.834 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.45 -178.052 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ppp? . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 120.842 0.353 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p -85.61 -28.05 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 120.685 0.278 . . . . 0.0 111.009 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? 58.97 78.97 0.24 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.448 -175.149 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 72.48 107.98 0.07 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.388 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -56.94 -29.76 63.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.488 176.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -56.64 -37.08 70.26 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.062 0.458 . . . . 0.0 110.288 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -64.32 -45.13 89.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.37 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.29 -45.04 64.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.453 -177.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.0 mt -63.68 -46.28 95.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.892 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -59.06 -45.12 91.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.955 0.407 . . . . 0.0 110.225 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.548 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 45.6 t -60.43 -53.75 53.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.942 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.83 -46.13 90.84 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.229 -176.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -62.5 -57.33 11.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.758 -176.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 17' ' ' TYR . 61.9 tp -61.38 -39.26 90.02 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.948 -177.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.548 ' HB2' ' O ' ' A' ' 11' ' ' SER . 6.5 t-20 -58.19 -35.87 72.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.512 -179.132 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -66.4 -42.4 87.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.443 -177.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.401 ' HD2' ' HA ' ' A' ' 14' ' ' LEU . 83.8 m-85 -65.35 -42.03 93.28 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.055 0.455 . . . . 0.0 109.921 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.7 mt -67.25 -39.5 83.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.194 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.86 -29.54 67.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.003 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -81.64 -33.9 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.955 0.407 . . . . 0.0 110.47 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.8 m -66.8 145.08 55.88 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.234 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -75.95 -24.16 55.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.095 0.474 . . . . 0.0 110.219 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -77.12 134.31 38.75 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.638 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.4 p -82.19 177.27 8.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.774 -174.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -55.32 -37.4 67.35 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.468 174.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.45 -50.34 63.68 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.71 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -64.27 -37.21 86.68 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.818 -175.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.19 -49.41 67.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.719 0.295 . . . . 0.0 110.316 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.59 80.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -57.29 -39.16 75.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.454 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.4 t -79.33 -25.16 42.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.963 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.3 mt -82.44 -44.75 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 110.656 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.81 4.12 15.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.3 m -100.18 156.14 4.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.4 m -69.74 149.01 96.76 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.794 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.92 -35.55 80.52 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.785 2.323 . . . . 0.0 112.257 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -66.22 -31.28 72.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.415 178.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.8 m -72.54 -44.91 61.5 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -65.87 -34.63 78.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.243 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -58.06 -43.82 87.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.971 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.4 p -63.8 -31.2 72.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.73 0.3 . . . . 0.0 111.296 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -74.1 -43.72 56.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.064 0.459 . . . . 0.0 110.203 177.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.67 -36.43 80.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.591 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.552 ' HB3' HG13 ' A' ' 46' ' ' ILE . 3.9 tmtm? -75.25 -11.99 60.19 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 176.196 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.54 ' HA3' ' HB2' ' A' ' 11' ' ' SER . . . 69.78 38.93 76.82 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.63 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.552 HG13 ' HB3' ' A' ' 44' ' ' LYS . 80.5 mt -84.68 -42.15 16.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.089 0.471 . . . . 0.0 110.227 178.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.16 153.81 36.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.644 -178.286 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 98.7 mt -103.27 127.29 30.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.722 176.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -68.23 179.18 3.05 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.443 2.762 . . . . 0.0 113.01 -177.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.411 ' O ' HG23 ' A' ' 54' ' ' VAL . 30.1 mmt180 -79.39 161.47 26.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.28 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.4 ptp -53.7 -33.61 56.05 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.59 0.556 . . . . 0.0 112.085 -175.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.31 -37.07 94.27 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.754 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -89.21 -27.22 20.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.727 -0.278 . . . . 0.0 110.947 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 50' ' ' ARG . 87.3 t -63.64 -40.36 88.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 172.368 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -60.31 -38.88 85.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.262 175.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.81 94.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.077 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.28 -49.4 77.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.394 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.15 -32.82 74.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.157 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -72.72 -41.4 65.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.656 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -59.95 -44.94 94.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.184 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -87.38 -9.55 54.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.257 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.8 t30 59.14 57.61 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.768 0.794 . . . . 0.0 110.233 -176.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.5 pt -133.64 178.23 5.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.914 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -96.3 168.87 10.31 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -64.85 -32.23 73.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.243 0.544 . . . . 0.0 110.128 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.5 m -73.89 -20.98 60.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.51 -177.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.73 -23.98 67.42 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.729 0.299 . . . . 0.0 111.332 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -94.06 -19.9 20.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.255 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 66.9 mt -95.84 -29.34 3.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -171.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -68.39 144.3 54.79 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.67 0.747 . . . . 0.0 112.472 -174.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -102.65 156.01 17.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.425 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.554 ' HD2' ' N ' ' A' ' 72' ' ' LYS . 1.7 mptp? -86.9 8.48 22.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.891 0.377 . . . . 0.0 111.27 -171.14 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -91.93 11.17 25.91 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.514 0.673 . . . . 0.0 110.064 174.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.0 mt -75.32 78.48 2.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.085 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -104.16 -165.14 1.12 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.467 -0.788 . . . . 0.0 108.929 174.477 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.706 HD12 ' H ' ' A' ' 76' ' ' ILE . 3.7 mp -70.45 114.35 8.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.311 0.577 . . . . 0.0 109.577 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -159.43 104.34 1.63 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.206 -177.156 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.1 t -82.69 130.09 35.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.37 0.605 . . . . 0.0 111.294 -174.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.4 t -119.11 86.46 32.18 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 173.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -70.71 86.96 0.69 Allowed 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.71 2.273 . . . . 0.0 113.276 -172.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 44.9 mm -77.71 122.52 32.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 174.143 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -77.2 116.59 17.95 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.176 -174.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.4 m -101.7 111.29 23.49 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.18 -177.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.49 151.5 41.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.691 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -96.12 111.11 23.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' THR . . . . . 0.586 HG22 ' H ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -135.16 -174.97 3.77 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.175 -176.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.586 ' H ' HG22 ' A' ' 86' ' ' THR . 8.9 mp 74.22 131.47 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.563 0.745 . . . . 0.0 111.938 176.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -88.57 115.86 26.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.055 177.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -139.97 130.94 26.17 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -131.49 152.46 50.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.925 -175.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -64.01 144.41 57.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.715 174.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -152.24 151.33 30.82 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.658 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -82.92 145.94 29.11 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.365 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.337 -0.839 . . . . 0.0 109.443 178.416 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.476 ' O ' HG13 ' A' ' 9' ' ' ILE . 50.1 tptt . . . . . 0 N--CA 1.454 -0.249 0 CA-C-O 120.366 0.127 . . . . 0.0 111.083 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -59.68 -49.32 78.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.664 -0.243 . . . . 0.0 110.847 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.979 ' HG2' HG13 ' A' ' 48' ' ' ILE . 33.1 mtmm -63.26 -30.16 71.35 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.167 -0.213 . . . . 0.0 111.35 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.26 -31.12 65.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.881 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 5' ' ' LYS . 86.4 mt -76.3 -49.24 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.765 0.317 . . . . 0.0 110.194 176.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -53.53 -49.11 68.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.931 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.1 p -65.56 -42.36 91.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.758 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 22.6 tp10 -55.95 -48.71 75.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.402 . . . . 0.0 110.673 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -67.91 -48.0 67.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.228 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.01 -48.21 82.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.761 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -58.48 -32.37 68.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.385 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.445 ' O ' ' HD2' ' A' ' 20' ' ' LYS . 38.4 m -59.18 -48.58 81.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.755 0.312 . . . . 0.0 110.41 177.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -69.43 -40.37 77.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.037 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.15 -47.05 94.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.52 -7.22 50.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.612 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HD2' ' O ' ' A' ' 16' ' ' SER . 0.6 OUTLIER -90.38 -11.59 40.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.11 0.481 . . . . 0.0 110.067 175.301 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.9 t -99.76 159.11 15.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.751 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -100.94 4.39 42.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.862 0.363 . . . . 0.0 110.456 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -87.95 134.3 33.75 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.617 173.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.7 p -71.99 165.27 24.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.169 0.509 . . . . 0.0 111.794 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -56.52 -36.66 69.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.142 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.14 -29.26 68.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.704 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -70.59 -52.85 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.807 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.3 mt -63.68 -36.9 78.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.978 -176.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.85 -40.89 73.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.045 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -70.48 -38.47 74.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.87 0.367 . . . . 0.0 110.764 -177.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -65.36 -38.14 89.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.818 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.1 mm -72.56 -44.58 60.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.243 178.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.83 37.43 1.55 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.056 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.3 m -130.89 176.43 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.75 0.31 . . . . 0.0 110.452 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.3 m -94.04 152.53 40.51 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.18 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.24 -35.37 95.51 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.901 2.401 . . . . 0.0 112.741 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -67.01 -31.2 71.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.209 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.8 m -72.66 -39.1 67.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.359 0.6 . . . . 0.0 109.564 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -71.23 -34.78 71.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.174 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -59.46 -42.75 92.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.77 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.3 p -70.71 -27.63 64.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.596 0.236 . . . . 0.0 111.178 -177.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.532 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 50.1 m0 -69.72 -45.0 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.114 0.483 . . . . 0.0 109.858 175.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.9 t -67.59 -27.28 66.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.894 -177.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -88.72 -0.07 56.96 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.334 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.06 34.4 89.82 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 121.247 -0.501 . . . . 0.0 113.143 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.1 mt -89.52 -33.63 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.018 0.437 . . . . 0.0 110.354 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.55 151.24 33.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -177.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.979 HG13 ' HG2' ' A' ' 7' ' ' LYS . 71.0 mt -107.73 126.99 28.6 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.86 174.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.532 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 29.2 Cg_endo -62.15 166.42 12.72 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 123.111 2.541 . . . . 0.0 112.146 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -75.61 170.13 16.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.173 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 58.2 ttp -53.68 -39.13 64.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.853 -174.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.9 -29.81 71.52 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.833 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.512 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 50.6 mttp -94.38 -33.89 12.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.836 -0.214 . . . . 0.0 111.457 -178.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.6 t -62.41 -44.12 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.225 0.536 . . . . 0.0 109.818 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -64.13 -38.31 90.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.385 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.71 -41.27 98.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.883 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 53' ' ' LYS . 97.3 mt -60.58 -52.03 66.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.53 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.64 88.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.237 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -65.96 -35.7 81.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.874 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -74.71 -34.53 62.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.244 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -86.23 -5.52 59.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.91 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 59.62 55.53 4.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.57 0.7 . . . . 0.0 109.846 -174.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.6 pt -138.2 175.99 7.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.758 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -93.61 147.49 22.96 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -61.37 -29.95 70.23 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.041 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.7 m -59.7 -28.08 67.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.379 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -68.94 -24.42 64.27 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.835 0.35 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.3 mt -93.62 -23.67 18.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.335 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.4 mm . . . . . 0 C--N 1.326 -0.419 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.641 -175.308 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.448 ' O ' HG13 ' A' ' 9' ' ' ILE . 22.6 tptm . . . . . 0 N--CA 1.46 0.069 0 CA-C-O 120.457 0.17 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.8 -44.31 81.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.248 0.547 . . . . 0.0 110.42 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -61.9 -40.94 97.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.791 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.79 -47.61 74.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.003 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 5' ' ' LYS . 68.2 mt -60.35 -49.11 85.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.839 0.352 . . . . 0.0 110.94 -179.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.11 -48.6 81.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.132 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.424 ' HB3' ' CA ' ' A' ' 45' ' ' GLY . 19.9 p -65.76 -42.1 91.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.261 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -57.21 -45.88 83.43 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 120.537 0.208 . . . . 0.0 111.373 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.08 -57.8 6.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.567 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.0 tp -55.21 -46.02 75.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.189 -175.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -64.06 -42.37 97.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.711 -176.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -65.9 -35.54 80.92 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -70.91 -48.95 50.86 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.115 0.483 . . . . 0.0 109.924 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.71 -47.17 92.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.273 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.42 -10.18 59.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.847 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -73.39 -34.38 65.5 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.0 t -82.08 169.39 16.73 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.741 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -100.87 18.46 19.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.218 0.532 . . . . 0.0 110.801 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -89.75 159.16 17.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.582 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.8 p -95.74 153.99 17.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.661 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -40.93 82.68 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.381 0.61 . . . . 0.0 109.587 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.717 HD22 ' HE3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -56.57 -46.09 80.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.754 -1.112 . . . . 0.0 111.385 -179.384 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.96 -44.8 91.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.035 0.445 . . . . 0.0 110.845 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.8 mt -67.42 -38.66 81.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.05 93.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.87 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.717 ' HE3' HD22 ' A' ' 26' ' ' LEU . 99.8 mttt -60.77 -35.35 76.19 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.984 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.7 m -69.18 -31.46 70.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.957 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.1 mm -84.36 -44.7 17.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.482 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.85 -12.23 7.76 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.945 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.1 m -88.78 167.06 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.1 0.476 . . . . 0.0 111.121 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.3 m -92.16 149.28 38.35 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.989 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -52.48 -27.97 34.11 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.9 2.4 . . . . 0.0 112.704 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -56.77 -48.07 78.7 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.193 0.521 . . . . 0.0 110.73 173.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 m -70.69 -40.77 72.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.087 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -61.95 -34.92 76.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.264 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -61.66 -42.18 98.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.49 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.4 p -67.55 -22.18 65.42 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.174 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.476 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 51.6 m0 -79.39 -45.2 20.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.172 0.51 . . . . 0.0 109.848 175.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.3 t -67.06 -35.91 80.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.261 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -85.92 1.16 51.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.419 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.424 ' CA ' ' HB3' ' A' ' 11' ' ' SER . . . 60.86 48.61 85.38 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.013 179.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.8 mt -104.04 -38.85 5.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.231 0.539 . . . . 0.0 110.043 178.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.79 156.37 48.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.303 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.8 mt -123.93 128.71 25.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.351 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.476 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 74.2 Cg_endo -72.61 159.26 49.22 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 123.227 2.618 . . . . 0.0 112.357 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.428 ' O ' HG23 ' A' ' 54' ' ' VAL . 92.7 mtt180 -96.26 179.5 5.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.993 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 96.9 mmm -50.82 -41.15 57.19 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.701 0.626 . . . . 0.0 112.622 -171.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.29 -34.52 48.16 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.447 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -101.01 -27.15 13.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.1 0.45 . . . . 0.0 111.051 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 50' ' ' ARG . 80.5 t -62.47 -39.36 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.548 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -62.98 -32.27 73.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.276 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.1 -43.99 66.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.848 0.356 . . . . 0.0 110.485 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.21 -45.82 86.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.804 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.29 -28.6 69.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.445 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -78.69 -38.2 39.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.96 0.409 . . . . 0.0 110.468 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -62.94 -36.13 82.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.719 -176.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -101.99 -7.42 22.38 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.532 177.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 51.93 71.27 0.47 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.786 0.803 . . . . 0.0 110.919 -173.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.4 pt -137.16 -179.85 3.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.058 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -95.15 155.39 16.75 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.42 ' O ' HG13 ' A' ' 69' ' ' ILE . 60.1 pttt -60.24 -32.77 71.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.92 0.391 . . . . 0.0 110.287 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.0 m -66.73 -26.56 67.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.626 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -62.05 -25.62 67.79 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.956 0.408 . . . . 0.0 111.418 -177.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.8 mt -94.67 -20.47 19.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.268 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 65' ' ' LYS . 63.9 mt . . . . . 0 C--N 1.325 -0.459 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -170.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt . . . . . 0 N--CA 1.453 -0.3 0 CA-C-O 121.166 0.508 . . . . 0.0 110.416 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -66.89 -31.9 72.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.936 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HA ' HD11 ' A' ' 48' ' ' ILE . 35.7 ttpt -71.08 -40.48 71.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.694 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.9 92.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.804 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.5 mt -68.3 -49.63 64.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.209 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.546 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 80.7 t80 -56.45 -47.37 79.27 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.913 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.1 t -62.21 -49.43 75.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.677 -178.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -65.12 -38.61 91.23 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.865 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.437 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 62.3 m-20 -58.16 -52.98 63.29 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.66 177.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 18' ' ' ILE . 64.6 tp -64.31 -48.22 76.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.871 -179.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -63.49 -33.84 76.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.346 -174.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.9 m -64.72 -39.44 93.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.626 0.25 . . . . 0.0 111.032 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -68.71 -35.75 77.57 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 14' ' ' LEU . 65.3 mt -65.81 -45.35 91.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.1 0.476 . . . . 0.0 110.453 177.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.63 -31.89 71.36 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.283 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -76.32 -33.96 59.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.194 0.521 . . . . 0.0 110.31 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.0 t -72.29 164.91 25.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.399 176.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -82.31 -31.73 29.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.193 0.52 . . . . 0.0 110.313 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.479 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -70.29 148.33 48.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.355 -173.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.464 ' OG1' ' HG2' ' A' ' 27' ' ' GLU . 51.5 p -89.21 165.99 14.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.262 -176.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -53.19 -40.61 64.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.429 174.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -42.94 77.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.836 -1.074 . . . . 0.0 110.753 -176.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' HG2' ' OG1' ' A' ' 24' ' ' THR . 58.5 mm-40 -57.91 -43.86 86.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.192 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.536 ' O ' HG12 ' A' ' 32' ' ' ILE . 62.7 mt -66.05 -45.07 91.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.715 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.52 82.34 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.013 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -57.99 -45.6 86.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.432 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -75.67 -30.72 59.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.611 -176.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.536 HG12 ' O ' ' A' ' 28' ' ' ILE . 48.3 mm -72.28 -44.56 63.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 121.017 0.436 . . . . 0.0 110.145 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.41 19.47 7.93 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.136 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.4 m -115.72 159.23 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.855 0.36 . . . . 0.0 110.394 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.6 m -75.83 143.18 74.28 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.146 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -58.22 -29.58 88.06 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.912 2.408 . . . . 0.0 112.862 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -65.09 -35.01 79.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.9 0.381 . . . . 0.0 110.959 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.1 m -75.9 -37.57 58.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.456 0.646 . . . . 0.0 109.411 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -64.74 -35.58 81.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.768 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.19 -44.74 94.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.367 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.41 HG22 HD12 ' A' ' 46' ' ' ILE . 11.5 p -64.68 -22.14 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -178.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.566 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 45.1 m0 -76.61 -43.77 37.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.247 0.546 . . . . 0.0 109.608 175.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 43.8 t -67.38 -32.17 72.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.402 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -83.86 -0.12 49.9 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.3 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.48 30.77 77.1 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.83 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.41 HD12 HG22 ' A' ' 41' ' ' THR . 71.1 mt -89.01 -42.84 14.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.784 0.326 . . . . 0.0 110.53 -178.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.5 153.91 44.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.236 -177.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.566 HD11 ' HA ' ' A' ' 7' ' ' LYS . 89.7 mt -108.6 129.09 24.42 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.567 175.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.566 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 41.5 Cg_endo -64.93 159.28 46.91 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.71 2.274 . . . . 0.0 112.099 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -63.22 156.22 26.02 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.2 ttm -50.2 -40.12 46.17 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.43 0.456 . . . . 0.0 112.184 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.33 -29.95 70.09 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.078 -0.582 . . . . 0.0 113.0 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.711 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -85.32 -34.87 21.76 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.543 -0.387 . . . . 0.0 110.648 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.69 -41.49 88.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.36 0.6 . . . . 0.0 109.76 175.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -61.4 -39.0 89.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.545 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.57 -40.94 93.35 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.754 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.04 -51.2 67.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.443 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.62 -34.41 76.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.668 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.94 -42.0 90.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.291 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -64.33 -36.74 85.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.894 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.445 ' HB2' HG12 ' A' ' 63' ' ' ILE . 73.5 m-85 -84.79 -12.36 53.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.505 177.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.3 t30 62.32 34.27 15.91 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.728 0.775 . . . . 0.0 110.059 -177.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.445 HG12 ' HB2' ' A' ' 61' ' ' PHE . 41.5 pt -111.97 -173.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.054 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -92.62 146.47 23.64 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -68.38 -29.53 68.25 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 51.0 m -59.63 -32.12 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.537 177.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.16 -24.46 66.31 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.985 0.421 . . . . 0.0 111.307 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.546 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 70.8 mt -90.88 -21.16 21.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.323 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.1 mt . . . . . 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.953 -173.573 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.474 ' O ' HG13 ' A' ' 9' ' ' ILE . 43.3 mtpt . . . . . 0 C--O 1.222 -0.355 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -62.87 -35.58 80.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.857 0.361 . . . . 0.0 110.622 -176.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.41 ' HE2' ' O ' ' A' ' 45' ' ' GLY . 51.6 mtpt -71.43 -34.94 70.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.011 0.434 . . . . 0.0 110.471 178.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.09 -43.04 55.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.327 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 5' ' ' LYS . 76.2 mt -61.71 -42.17 93.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.323 178.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -59.95 -48.61 80.99 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.852 0.358 . . . . 0.0 111.096 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -67.92 -38.52 83.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.06 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.14 -42.33 89.24 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 75.1 m-20 -58.98 -50.15 75.17 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.527 175.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 tp -55.53 -46.72 77.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.148 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -58.75 -36.79 74.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.57 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.8 m -55.33 -52.35 63.77 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.095 0.474 . . . . 0.0 110.997 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -76.34 -31.98 58.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.008 -172.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.433 HG21 ' HG2' ' A' ' 25' ' ' GLN . 80.9 mt -73.31 -45.07 53.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.836 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.63 -22.14 61.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -80.03 -39.91 28.87 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.9 m -73.72 173.58 9.61 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.982 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -103.33 -21.73 13.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.755 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.65 ' HE2' ' HG3' ' A' ' 27' ' ' GLU . 8.1 tptm -78.14 145.23 35.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.518 -174.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.442 ' O ' HG13 ' A' ' 28' ' ' ILE . 29.1 p -74.21 157.72 35.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.639 -176.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.495 HE21 ' HE1' ' A' ' 39' ' ' PHE . 53.3 mt-30 -63.46 -36.98 85.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.876 177.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.41 -46.98 85.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.362 175.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.65 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 6.5 mm-40 -59.76 -45.18 93.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.154 178.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.63 ' O ' HG12 ' A' ' 32' ' ' ILE . 72.3 mt -60.13 -52.2 64.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.526 178.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.86 78.89 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.549 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -62.56 -44.73 95.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.974 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.7 m -75.63 -21.32 57.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.271 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.63 HG12 ' O ' ' A' ' 28' ' ' ILE . 39.8 mm -72.87 -44.01 58.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.217 0.532 . . . . 0.0 109.671 172.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 113.83 31.42 2.31 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.031 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.3 m -136.59 176.01 8.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.887 0.375 . . . . 0.0 110.518 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.2 m -89.83 150.44 43.87 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.892 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.99 -24.39 65.07 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.761 2.307 . . . . 0.0 111.95 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.64 -48.52 77.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.78 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.1 m -70.03 -31.62 69.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.633 0.73 . . . . 0.0 110.033 -177.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.495 ' HE1' HE21 ' A' ' 25' ' ' GLN . 32.1 t80 -69.83 -35.81 75.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.105 179.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -69.33 -38.47 78.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.853 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.501 HG22 HD12 ' A' ' 46' ' ' ILE . 3.3 p -65.54 -24.43 67.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.959 0.409 . . . . 0.0 110.977 177.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.485 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 53.8 m0 -77.38 -41.86 38.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.312 0.577 . . . . 0.0 109.831 173.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.9 t -65.24 -29.18 69.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.065 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.3 mmtm -89.12 3.61 51.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.878 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.41 ' O ' ' HE2' ' A' ' 7' ' ' LYS . . . 62.5 29.46 73.54 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.842 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.501 HD12 HG22 ' A' ' 41' ' ' THR . 71.9 mt -76.26 -41.81 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 121.235 0.54 . . . . 0.0 109.649 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.02 137.62 26.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.295 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 99.2 mt -92.81 120.74 67.01 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.485 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 30.0 Cg_endo -60.08 150.28 79.89 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.888 2.392 . . . . 0.0 111.898 -177.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -66.49 161.88 21.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.187 -177.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -57.22 -29.47 63.77 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -171.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.98 -28.21 73.47 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.356 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -87.02 -32.81 19.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.841 0.353 . . . . 0.0 110.187 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.42 -36.22 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.112 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -57.59 -43.12 84.37 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.179 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.68 -45.02 92.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.732 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.63 -49.46 75.08 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.896 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.58 -38.2 89.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.202 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -68.95 -39.79 79.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.623 -178.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -58.46 -43.47 88.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.715 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -87.83 -12.16 45.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.3 t30 63.48 49.95 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.989 0.9 . . . . 0.0 109.541 -174.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.7 pt -126.46 -176.46 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.669 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -100.85 156.63 17.26 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -62.49 -29.77 70.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.912 0.387 . . . . 0.0 110.436 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.4 p -68.95 -29.85 68.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.845 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -64.51 -24.05 67.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.13 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.72 -30.8 14.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.222 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.8 mm . . . . . 0 C--N 1.322 -0.587 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -171.279 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 70.7 mmtt . . . . . 0 C--O 1.232 0.156 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -71.37 -36.77 71.57 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.537 ' HA ' HD11 ' A' ' 48' ' ' ILE . 63.8 mttp -58.89 -39.02 80.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.119 173.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.87 -42.32 90.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.726 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.3 mt -60.57 -50.02 82.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.562 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -60.4 -53.98 51.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.944 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.484 ' HB3' ' HA2' ' A' ' 45' ' ' GLY . 30.8 p -63.61 -44.48 93.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.722 -175.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.79 -47.22 87.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.649 0.261 . . . . 0.0 110.824 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.43 -47.24 82.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.573 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 18' ' ' ILE . 54.5 tp -63.19 -47.41 82.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.795 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -56.62 -40.89 76.17 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.642 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -59.37 -47.63 84.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.425 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -63.93 -46.53 84.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.65 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 14' ' ' LEU . 84.2 mt -54.36 -51.69 46.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 120.905 0.383 . . . . 0.0 111.26 -178.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.93 -40.95 87.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.27 -177.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 1.031 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 1.9 mmpt? -76.74 -19.32 57.78 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -176.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -83.42 -13.62 54.42 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.647 0.26 . . . . 0.0 110.493 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 57.58 47.29 16.25 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.842 0.83 . . . . 0.0 109.854 -178.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -126.01 138.91 53.77 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.27 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.444 ' OG1' ' HB2' ' A' ' 27' ' ' GLU . 34.5 p -71.55 150.71 44.5 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.03 -177.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.445 ' NE2' ' H ' ' A' ' 25' ' ' GLN . 2.1 mp0 -54.4 -38.12 65.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.414 177.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -63.72 -47.18 82.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.768 -179.706 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.444 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 0.6 OUTLIER -58.75 -46.23 87.92 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.031 0.443 . . . . 0.0 111.079 -178.174 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.3 mt -66.21 -39.33 84.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.246 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.65 -38.89 82.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.103 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 26' ' ' LEU . 29.0 mtpp -60.58 -40.9 93.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.102 0.477 . . . . 0.0 110.832 177.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.0 m -70.31 -23.29 62.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.995 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.4 HD11 ' CD2' ' A' ' 57' ' ' LEU . 69.1 mt -87.71 -44.58 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.403 0.62 . . . . 0.0 110.253 177.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.66 20.48 8.08 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.534 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.1 m -111.77 173.82 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.954 0.407 . . . . 0.0 110.79 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.7 m -93.74 144.43 28.17 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.475 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.1 -32.47 59.19 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.128 2.552 . . . . 0.0 113.073 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -61.17 -40.11 92.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.15 0.5 . . . . 0.0 110.607 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.5 m -73.55 -39.02 65.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.738 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -64.84 -34.88 79.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.103 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -63.51 -41.35 98.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.846 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.3 p -67.68 -22.31 65.3 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 111.671 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.615 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 50.6 m0 -75.72 -41.26 53.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.175 0.512 . . . . 0.0 109.976 174.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 35.2 t -66.25 -29.25 69.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.759 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -83.2 -6.41 59.47 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.484 ' HA2' ' HB3' ' A' ' 11' ' ' SER . . . 70.07 23.93 76.84 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.883 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.9 mt -81.26 -44.21 20.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.182 0.515 . . . . 0.0 110.292 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.97 153.2 51.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.05 -177.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' ' 7' ' ' LYS . 93.9 mt -111.79 126.92 27.64 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.745 176.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.615 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 56.4 Cg_endo -68.98 152.28 73.32 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.612 2.208 . . . . 0.0 111.456 176.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.411 ' O ' HG23 ' A' ' 54' ' ' VAL . 2.9 ttm180 -75.32 167.01 22.73 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.8 ptp -54.34 -26.51 30.15 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -172.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.17 -41.6 99.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.108 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.25 -21.21 24.61 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.797 -0.237 . . . . 0.0 111.056 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.436 HG21 HD11 ' A' ' 69' ' ' ILE . 98.3 t -64.75 -42.82 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.033 0.444 . . . . 0.0 110.337 175.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -61.32 -36.52 80.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.707 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.43 -35.52 81.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.43 . . . . 0.0 110.818 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.464 HD22 HD11 ' A' ' 14' ' ' LEU . 66.9 mt -67.76 -51.86 44.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.355 174.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.26 92.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.47 -177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.7 -34.59 77.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.996 0.427 . . . . 0.0 110.677 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -70.6 -41.9 71.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.02 0.438 . . . . 0.0 110.763 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.504 ' HB2' HG12 ' A' ' 63' ' ' ILE . 60.3 m-85 -86.98 -5.53 59.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 -175.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 66.95 14.8 9.98 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.67 0.748 . . . . 0.0 110.443 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.504 HG12 ' HB2' ' A' ' 61' ' ' PHE . 40.3 pt -91.93 -173.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.016 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -101.6 153.41 19.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.991 0.424 . . . . 0.0 110.518 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -62.43 -30.71 71.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.996 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -32.61 74.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.054 -176.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.85 -35.0 61.03 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.0 mt -93.78 -30.02 15.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.701 -177.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.436 HD11 HG21 ' A' ' 54' ' ' VAL . 47.6 mm . . . . . 0 C--O 1.238 0.459 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -171.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.514 ' O ' HG13 ' A' ' 9' ' ' ILE . 21.7 mttm . . . . . 0 N--CA 1.456 -0.14 0 N-CA-C 111.59 0.219 . . . . 0.0 111.59 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.06 -43.4 98.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.003 0.43 . . . . 0.0 110.169 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.549 ' HA ' HD11 ' A' ' 48' ' ' ILE . 42.5 mtpt -63.21 -36.92 85.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.742 175.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.94 -38.38 86.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.054 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 5' ' ' LYS . 83.8 mt -62.64 -51.43 72.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.732 178.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 87.6 t80 -55.1 -49.7 71.05 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.03 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.494 ' OG ' ' HA2' ' A' ' 45' ' ' GLY . 55.3 m -63.45 -43.65 96.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.492 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -59.49 -47.08 86.88 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.807 0.336 . . . . 0.0 110.684 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -60.73 -55.09 37.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.595 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.453 ' O ' HG13 ' A' ' 18' ' ' ILE . 59.4 tp -58.73 -47.51 84.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.203 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.557 ' HA ' HD12 ' A' ' 18' ' ' ILE . 60.5 t30 -61.92 -33.11 73.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.176 -175.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.5 m -65.6 -42.22 91.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.771 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -67.91 -34.57 76.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.321 . . . . 0.0 110.405 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 15' ' ' ASN . 92.3 mt -63.0 -48.61 87.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.886 178.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.63 88.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.008 0.433 . . . . 0.0 111.337 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.28 -5.52 52.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.149 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.8 t -76.91 -15.76 59.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.594 175.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 73.51 -37.71 0.39 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.714 0.805 . . . . 0.0 111.54 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.565 ' HE3' ' N ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -66.58 157.74 31.6 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 174.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.4 p -86.06 159.2 19.63 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.364 0.602 . . . . 0.0 112.338 -171.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.538 ' HG2' HG21 ' A' ' 18' ' ' ILE . 51.8 mt-30 -57.2 -37.65 72.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.6 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.426 ' HG ' ' HB3' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -64.56 -40.07 94.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.701 179.213 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.58 -40.36 94.49 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.179 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.549 HD12 HG23 ' A' ' 18' ' ' ILE . 62.4 mt -72.73 -42.07 61.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.966 177.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.52 -46.58 86.46 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.806 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -26.24 67.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.771 0.32 . . . . 0.0 111.118 -178.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.5 m -77.46 -36.23 53.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.385 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 28' ' ' ILE . 47.5 mm -68.3 -44.1 84.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.88 175.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.93 29.13 3.91 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.28 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.6 m -127.29 161.87 33.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.8 p -72.12 145.46 88.63 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.639 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.426 ' HB3' ' HG ' ' A' ' 26' ' ' LEU . 10.8 Cg_endo -54.88 -35.59 89.36 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.007 2.472 . . . . 0.0 113.47 -176.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -75.55 -24.69 56.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.9 m -74.85 -32.89 62.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.738 0.78 . . . . 0.0 109.191 175.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -71.32 -34.61 70.73 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.034 172.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -68.38 -38.51 81.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.302 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.512 HG22 HD12 ' A' ' 46' ' ' ILE . 1.1 p -64.71 -25.04 67.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.7 0.285 . . . . 0.0 111.243 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.523 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 51.6 m0 -74.6 -38.66 62.55 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 173.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.8 t -66.06 -27.98 68.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.647 177.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -84.3 -5.13 59.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.402 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.494 ' HA2' ' OG ' ' A' ' 11' ' ' SER . . . 66.16 32.11 81.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.729 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.512 HD12 HG22 ' A' ' 41' ' ' THR . 64.4 mt -85.87 -31.99 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.971 0.415 . . . . 0.0 110.827 -178.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.51 148.61 25.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.502 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.549 HD11 ' HA ' ' A' ' 7' ' ' LYS . 80.3 mt -101.2 130.57 24.65 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.344 172.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.56 ' HB2' ' HB3' ' A' ' 53' ' ' LYS . 46.5 Cg_endo -67.0 162.0 40.05 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.617 2.211 . . . . 0.0 111.668 177.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ttt85 -82.83 167.13 18.38 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.5 ptp -50.52 -36.92 36.36 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.051 0.759 . . . . 0.0 113.051 -170.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.33 -35.37 91.4 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.45 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.56 ' HB3' ' HB2' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -85.49 -32.86 22.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.815 0.34 . . . . 0.0 110.161 -178.818 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.445 HG22 ' HG2' ' A' ' 49' ' ' PRO . 84.9 t -62.78 -39.5 85.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.359 177.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -59.69 -37.77 79.71 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.571 178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.74 -42.17 91.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.829 0.347 . . . . 0.0 110.687 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.23 -50.34 70.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.708 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.08 -25.87 66.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.391 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -76.2 -41.59 48.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.739 0.304 . . . . 0.0 110.508 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -56.88 -44.77 82.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.775 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -87.6 -6.0 58.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.274 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 56.6 t30 51.3 65.8 1.38 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.947 -176.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.5 pt -135.34 177.15 7.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.116 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -94.67 156.06 16.58 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -58.29 -30.15 66.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.833 0.349 . . . . 0.0 111.162 -179.771 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.414 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 18.5 m -66.33 -18.29 65.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.869 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.15 -34.01 65.82 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.116 0.484 . . . . 0.0 110.576 176.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 90.4 mt -94.14 -43.44 8.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.449 -177.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.402 HD13 ' CD1' ' A' ' 10' ' ' PHE . 36.1 mm . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.399 -174.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.5 tttt . . . . . 0 N--CA 1.462 0.135 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -65.25 -32.52 74.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.5 -47.47 81.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.253 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.04 79.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.84 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.8 mt -57.23 -51.01 74.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.844 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -58.81 -54.99 40.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.416 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.1 p -64.83 -41.67 95.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.499 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.63 -47.08 82.81 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.965 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -70.2 -41.97 72.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.849 -178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.1 tp -59.18 -44.63 92.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.016 0.436 . . . . 0.0 110.115 176.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -60.08 -32.9 71.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.498 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 m -65.54 -36.28 83.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.953 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -77.03 -33.68 57.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.557 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 86.5 mt -65.08 -46.99 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.388 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.61 -5.14 41.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.201 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 tttp -86.29 -22.92 26.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.333 0.587 . . . . 0.0 109.657 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.1 t -104.28 177.4 4.86 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.975 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.1 -1.19 40.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.038 0.447 . . . . 0.0 110.209 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -77.92 130.19 36.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.977 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.0 p -79.34 168.37 19.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.472 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -57.13 -33.32 67.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.524 175.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.46 HD23 ' HB3' ' A' ' 36' ' ' PRO . 12.1 mt -71.48 -44.26 65.05 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.388 177.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 5.4 mm-40 -65.45 -39.99 92.68 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.902 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.02 -40.13 75.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.12 177.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.94 -45.55 86.45 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.242 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -68.69 -26.7 65.42 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.859 0.361 . . . . 0.0 110.849 -178.749 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.1 m -74.67 -43.76 53.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.299 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.8 mm -70.8 -44.73 75.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.176 0.512 . . . . 0.0 110.184 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.19 31.15 3.38 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.56 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.2 m -122.34 163.37 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 -179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 m -71.11 146.91 93.2 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.901 177.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.46 ' HB3' HD23 ' A' ' 26' ' ' LEU . 14.7 Cg_endo -57.03 -33.14 95.1 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.699 2.266 . . . . 0.0 112.116 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -66.37 -35.79 81.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.154 0.502 . . . . 0.0 110.546 177.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.4 m -67.99 -39.28 83.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.592 0.71 . . . . 0.0 109.298 -177.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -71.22 -34.73 71.09 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.838 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -66.01 -40.13 90.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.084 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 p -65.32 -22.91 66.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.72 0.295 . . . . 0.0 111.447 178.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.511 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 52.4 m0 -77.64 -40.75 40.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.235 0.54 . . . . 0.0 109.885 173.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 46.0 t -63.72 -33.28 75.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.878 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -84.43 -4.92 59.19 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.501 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.97 35.82 92.6 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.629 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 49.5 mm -81.72 -41.59 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.331 0.586 . . . . 0.0 110.074 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.57 154.29 42.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.373 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 98.6 mt -108.36 131.31 21.85 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.577 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.511 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 48.6 Cg_endo -66.64 158.05 57.81 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.932 2.422 . . . . 0.0 111.73 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.5 mtp85 -93.58 -175.68 3.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.729 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 88.9 mtp -56.92 -30.6 64.13 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -171.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.35 -38.65 96.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.762 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 53' ' ' LYS . 10.5 mptt -97.12 -28.58 14.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -177.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.4 t -59.71 -36.94 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.129 0.49 . . . . 0.0 109.966 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -59.31 -42.32 91.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.849 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.21 -40.85 77.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.734 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.49 -50.86 67.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.188 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.6 -35.44 79.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.012 0.434 . . . . 0.0 110.889 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.44 -44.34 68.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.141 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -65.25 -36.74 85.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.32 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -90.84 -4.51 56.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 55.48 48.91 17.86 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.357 0.599 . . . . 0.0 110.27 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.4 pt -127.15 -177.71 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.431 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -98.62 161.66 13.55 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.473 ' O ' HG13 ' A' ' 69' ' ' ILE . 63.6 pttt -63.68 -32.2 73.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.304 0.573 . . . . 0.0 109.925 177.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.8 t -66.37 -27.9 68.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.287 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -66.87 -25.64 66.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.899 0.381 . . . . 0.0 111.172 -176.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.4 mt -94.56 -23.36 17.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 65' ' ' LYS . 72.7 mt . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.608 -175.53 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.0 mttt . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 120.692 0.282 . . . . 0.0 111.584 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -64.28 -34.66 78.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.362 -176.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.498 ' NZ ' ' HB2' ' A' ' 7' ' ' LYS . 4.7 ttmp? -63.43 -36.79 84.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.838 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.38 -33.07 62.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.6 mt -72.19 -43.26 66.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.857 176.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.42 ' CD1' ' HB3' ' A' ' 68' ' ' LEU . 67.5 t80 -53.17 -57.33 10.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.834 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.3 p -63.14 -46.94 84.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.663 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -59.32 -48.55 81.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.235 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -72.4 -40.16 67.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.804 -177.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 18' ' ' ILE . 61.1 tp -60.48 -48.88 79.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.994 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.469 ' HA ' HD12 ' A' ' 18' ' ' ILE . 10.1 t-20 -60.18 -35.62 75.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.415 -178.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.1 m -62.11 -43.82 98.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.776 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -66.92 -37.67 84.76 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.561 0.219 . . . . 0.0 110.858 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 15' ' ' ASN . 77.4 mt -60.39 -45.06 97.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.957 0.408 . . . . 0.0 110.286 176.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.06 94.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.887 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -59.45 -38.16 80.02 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.1 t -72.25 -21.92 61.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.289 -176.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 58.22 42.1 22.5 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 122.094 0.95 . . . . 0.0 109.109 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.457 ' HD2' HG12 ' A' ' 28' ' ' ILE . 25.3 ttmm -121.34 160.54 23.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.532 -176.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.9 p -88.13 145.02 26.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.703 0.287 . . . . 0.0 110.908 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.45 -37.5 83.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.073 0.463 . . . . 0.0 110.332 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -43.53 94.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.52 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -64.29 -42.46 96.39 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.692 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.512 ' O ' HG12 ' A' ' 32' ' ' ILE . 57.6 mt -63.53 -45.29 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.39 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.18 -39.0 77.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.703 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -65.92 -34.48 78.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.366 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.1 m -75.66 -32.31 60.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.78 0.324 . . . . 0.0 110.825 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 28' ' ' ILE . 47.7 mm -77.54 -44.26 29.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.125 0.488 . . . . 0.0 110.615 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.37 31.73 3.18 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.043 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.12 167.27 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.686 0.279 . . . . 0.0 110.368 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.1 m -72.92 148.57 89.49 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.158 177.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.54 -28.48 85.84 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.442 2.095 . . . . 0.0 111.583 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -68.68 -35.49 77.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.843 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.1 m -70.03 -36.29 74.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.748 0.785 . . . . 0.0 109.308 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -71.03 -34.55 71.4 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.586 175.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.56 -40.88 98.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.044 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 p -65.36 -22.87 66.86 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.801 0.334 . . . . 0.0 111.725 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -83.5 -37.96 22.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.107 0.48 . . . . 0.0 109.779 175.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.9 -37.33 87.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.803 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -81.04 -4.66 55.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.242 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.27 44.36 96.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.132 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.8 mt -89.3 -41.01 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.037 0.446 . . . . 0.0 110.252 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -146.3 148.45 32.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.557 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.8 mt -95.56 124.72 52.08 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.237 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -67.74 155.56 69.49 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.939 2.426 . . . . 0.0 112.005 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -67.4 150.87 48.36 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.614 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 45.7 ttm -51.73 -33.85 36.46 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -173.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.14 -37.37 91.62 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.354 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.27 -28.7 38.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.928 0.394 . . . . 0.0 110.495 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.5 t -63.8 -34.46 68.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.057 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' A' ' 51' ' ' MET . 28.2 mm-40 -54.73 -48.42 72.56 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.509 176.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.4 98.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.002 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.49 -50.85 69.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.778 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.37 -38.95 91.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.071 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.26 -43.96 85.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -62.02 -37.95 86.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.968 -177.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -91.46 -3.59 56.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.054 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 57.96 36.16 25.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.371 -177.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.0 pt -113.26 -177.07 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.292 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -92.39 152.24 19.84 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.443 ' O ' HG13 ' A' ' 69' ' ' ILE . 23.9 pttm -64.95 -30.04 71.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.074 0.464 . . . . 0.0 110.089 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.3 m -66.42 -19.06 65.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.663 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -63.04 -29.85 71.14 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.351 0.596 . . . . 0.0 110.471 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.42 ' HB3' ' CD1' ' A' ' 10' ' ' PHE . 78.4 mt -93.37 -19.89 20.88 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.808 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.451 ' O ' HG22 ' A' ' 69' ' ' ILE . 19.9 mt . . . . . 0 CA--C 1.539 0.557 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.159 -173.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HE3' HD11 ' A' ' 9' ' ' ILE . 58.3 tptt . . . . . 0 C--O 1.231 0.129 0 N-CA-C 110.039 -0.356 . . . . 0.0 110.039 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.78 -44.35 97.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.487 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.676 ' HD3' HG13 ' A' ' 48' ' ' ILE . 17.6 ttpp -70.84 -31.77 68.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.502 -178.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.72 -42.57 95.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.271 175.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.444 HD11 ' HE3' ' A' ' 5' ' ' LYS . 85.3 mt -62.95 -51.67 69.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.521 176.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -54.46 -49.04 70.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.339 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 p -66.27 -42.86 87.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.331 -178.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.19 -45.7 90.52 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.807 0.337 . . . . 0.0 110.487 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -59.0 -55.33 36.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.721 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.504 ' HG ' HD11 ' A' ' 18' ' ' ILE . 59.3 tp -58.47 -44.45 89.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.763 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -56.47 -34.97 67.4 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.976 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.582 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 17.6 m -59.51 -43.19 93.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.73 -178.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -73.8 -37.48 64.92 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.63 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.504 HD11 ' HG ' ' A' ' 14' ' ' LEU . 69.2 mt -64.44 -51.89 62.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.111 -178.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.7 -7.08 54.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.796 -175.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' A' ' 16' ' ' SER . 26.6 tttp -91.86 -17.12 25.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.167 0.508 . . . . 0.0 110.177 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -90.54 155.35 18.95 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.064 -177.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -81.14 -13.15 58.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.642 173.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -90.27 120.47 31.44 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.305 -0.862 . . . . 0.0 108.899 175.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.0 p -81.47 178.06 8.58 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.753 -171.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -52.59 -33.2 45.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.538 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -70.27 -44.32 68.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.58 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -61.16 -49.84 75.61 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.4 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.476 ' O ' HG12 ' A' ' 32' ' ' ILE . 55.5 mt -65.21 -42.61 94.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.163 -175.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.35 -38.26 76.87 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.492 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 26' ' ' LEU . 9.3 mtpm? -62.94 -37.34 86.65 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.286 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 m -78.69 -34.53 46.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.145 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 28' ' ' ILE . 49.3 mm -69.77 -44.52 79.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.006 0.432 . . . . 0.0 110.639 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.57 24.72 3.64 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.472 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.4 m -128.88 176.49 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.8 m -88.21 154.63 51.95 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.45 -26.48 63.43 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.516 2.144 . . . . 0.0 111.684 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -67.18 -40.69 86.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.594 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.4 m -66.61 -40.99 89.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.565 0.698 . . . . 0.0 109.445 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -66.74 -34.27 77.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.055 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -33.39 75.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.835 -178.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.4 p -67.73 -37.48 82.26 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.985 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.407 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 29.6 m0 -67.8 -36.55 80.63 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.162 0.506 . . . . 0.0 109.811 176.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.28 -36.52 83.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.512 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -83.04 -4.9 58.83 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.242 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.29 32.79 85.37 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.612 -177.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.9 mt -73.43 -52.3 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.832 0.349 . . . . 0.0 110.433 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.64 172.05 13.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.566 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.676 HG13 ' HD3' ' A' ' 7' ' ' LYS . 95.6 mt -119.82 129.72 25.21 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.407 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 60.1 Cg_endo -70.21 155.56 64.17 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.613 2.208 . . . . 0.0 111.878 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 54' ' ' VAL . 80.1 mtt180 -85.41 170.65 12.51 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.467 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.647 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 24.4 ptm -50.25 -35.46 27.06 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.793 0.683 . . . . 0.0 112.64 -172.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.17 -46.17 56.81 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 121.178 -0.534 . . . . 0.0 113.15 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -92.5 -22.4 19.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 50' ' ' ARG . 78.6 t -61.04 -42.6 93.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 110.755 177.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.647 ' HG2' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -67.15 -32.39 73.47 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.95 74.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.665 177.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.15 -50.3 73.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.696 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.84 -28.59 70.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.318 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -74.34 -39.2 62.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -71.94 -31.66 66.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.855 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -92.85 -6.32 49.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.771 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 m120 57.87 42.74 22.65 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.529 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.6 pt -122.98 178.48 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.585 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -98.78 170.77 8.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.702 0.287 . . . . 0.0 110.523 -176.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.81 -37.08 73.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.509 176.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.3 m -61.96 -43.94 97.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.398 -177.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -61.63 -23.37 66.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.819 -174.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.2 mt -90.81 -31.16 16.6 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.8 mm . . . . . 0 C--N 1.326 -0.43 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -170.266 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.465 ' HG2' ' OE1' ' A' ' 6' ' ' GLN . 21.6 pttm . . . . . 0 N--CA 1.448 -0.562 0 N-CA-C 110.121 -0.326 . . . . 0.0 110.121 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.465 ' OE1' ' HG2' ' A' ' 5' ' ' LYS . 1.1 mp0 -57.61 -46.8 83.63 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.236 0.541 . . . . 0.0 109.814 174.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -63.7 -37.56 87.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.437 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 12' ' ' GLU . . . -75.78 -35.12 60.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.691 -179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 5' ' ' LYS . 94.5 mt -71.2 -47.03 62.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.458 0.171 . . . . 0.0 110.971 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -54.92 -46.95 74.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.637 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.5 p -70.06 -42.55 72.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.991 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 8' ' ' ALA . 8.4 tp10 -58.14 -51.01 71.49 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.78 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.7 -55.75 31.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.562 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.59 ' O ' HG13 ' A' ' 18' ' ' ILE . 52.3 tp -55.35 -51.29 67.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.013 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.494 ' HA ' HD12 ' A' ' 18' ' ' ILE . 25.9 t-20 -61.35 -36.84 81.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.969 -175.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.3 m -68.02 -40.65 82.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.065 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -66.65 -40.15 88.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.633 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.59 HG13 ' O ' ' A' ' 14' ' ' LEU . 78.8 mt -55.47 -44.13 74.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.995 0.426 . . . . 0.0 110.805 177.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.85 -29.41 64.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.5 -178.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -80.62 -40.33 25.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.748 0.309 . . . . 0.0 111.071 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.2 m -67.77 -30.12 69.5 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 120.802 0.334 . . . . 0.0 110.147 175.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 58.67 69.7 0.71 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.265 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.401 ' HE2' ' HG3' ' A' ' 27' ' ' GLU . 21.0 tptm -133.42 157.88 44.46 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.467 ' OG1' ' HB2' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -75.19 136.22 41.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.733 0.302 . . . . 0.0 111.246 -178.665 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -60.39 -41.69 94.36 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.596 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.67 ' HG ' ' HG3' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -57.01 -43.59 81.94 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.709 177.622 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 1.4 tm-20 -59.65 -49.91 75.92 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.583 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 32' ' ' ILE . 55.0 mt -59.59 -47.91 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.646 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.11 92.35 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.984 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -63.3 -41.08 98.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.508 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.3 t -71.4 -19.38 62.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.045 0.45 . . . . 0.0 110.881 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 28' ' ' ILE . 96.4 mt -81.95 -44.78 20.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.114 0.483 . . . . 0.0 110.25 176.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 113.44 23.12 5.24 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.547 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.5 m -125.12 -176.19 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.3 m -101.7 156.72 34.86 Favored Pre-proline 0 C--N 1.319 -0.739 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.67 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 33.8 Cg_exo -56.65 -30.19 82.64 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.693 2.262 . . . . 0.0 112.301 178.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -63.93 -39.74 94.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.13 0.49 . . . . 0.0 110.358 174.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.5 m -67.34 -40.27 85.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.735 0.779 . . . . 0.0 109.059 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -64.74 -34.99 79.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.205 177.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -64.41 -37.81 88.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.343 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.4 p -64.83 -23.9 67.38 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.815 0.341 . . . . 0.0 111.079 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.406 ' CD1' ' HD3' ' A' ' 49' ' ' PRO . 26.5 m0 -88.8 -40.99 12.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.061 0.458 . . . . 0.0 109.978 177.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 35.6 t -65.44 -37.46 86.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.381 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.476 ' HB3' HG13 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -83.66 -0.95 52.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.305 178.201 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.49 46.34 94.01 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.251 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.476 HG13 ' HB3' ' A' ' 44' ' ' LYS . 73.8 mt -93.09 -49.22 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.857 0.36 . . . . 0.0 110.274 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.49 153.3 51.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.542 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.7 mt -105.36 125.75 32.67 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.841 177.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.452 ' HB2' ' HB2' ' A' ' 53' ' ' LYS . 63.6 Cg_endo -70.58 172.55 13.23 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.882 2.388 . . . . 0.0 112.089 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -92.5 168.4 11.29 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.622 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 10.6 mmt -50.84 -42.2 58.41 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -173.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.06 -33.35 64.11 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.666 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.452 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 94.7 mttt -86.01 -34.66 20.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.936 0.398 . . . . 0.0 110.418 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.8 t -62.97 -34.69 67.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.536 177.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' A' ' 51' ' ' MET . 28.8 mm-40 -60.97 -37.8 83.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 178.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.65 -41.22 79.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.846 0.355 . . . . 0.0 110.481 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.15 -49.51 77.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.441 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.12 -29.26 70.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.536 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -78.16 -40.61 37.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.846 -178.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.463 ' CE2' HG12 ' A' ' 28' ' ' ILE . 66.5 t80 -60.82 -41.66 96.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.78 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -87.02 -13.23 45.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.324 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 61.05 33.43 19.61 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.653 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.444 HG13 ' H ' ' A' ' 64' ' ' ASN . 1.5 pt -104.56 -87.31 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.499 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.444 ' H ' HG13 ' A' ' 63' ' ' ILE . 15.4 t-20 -176.12 163.0 2.58 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 176.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -69.68 -30.45 68.11 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.082 0.467 . . . . 0.0 110.105 176.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.2 m -62.89 -41.65 99.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.499 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -62.71 -25.22 68.06 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.703 -177.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.36 -39.84 10.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.58 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.5 mm . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.745 -174.158 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 25.6 pttm . . . . . 0 N--CA 1.457 -0.075 0 N-CA-C 112.33 0.493 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -39.66 86.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.352 0.596 . . . . 0.0 109.905 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.438 ' HA ' HD11 ' A' ' 48' ' ' ILE . 9.3 mtpm? -71.76 -26.8 62.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.288 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.75 -37.82 58.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.931 0.396 . . . . 0.0 110.693 177.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.4 mt -66.39 -51.61 56.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.374 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -54.02 -48.41 70.52 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.475 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.486 ' HB3' ' HA2' ' A' ' 45' ' ' GLY . 13.7 p -67.07 -46.89 72.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.865 -176.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.68 -41.07 76.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.944 0.402 . . . . 0.0 110.865 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.41 -53.7 32.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.38 178.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.3 tp -58.29 -39.72 80.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.675 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 11' ' ' SER . 3.5 t-20 -56.13 -40.47 73.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.351 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -65.82 -42.78 90.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.89 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -65.07 -39.04 92.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.978 0.418 . . . . 0.0 110.824 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.9 mt -71.21 -41.83 75.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.993 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.2 -29.62 69.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.925 0.393 . . . . 0.0 111.36 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -72.02 -31.23 65.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.335 0.588 . . . . 0.0 110.126 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.9 t -67.43 143.78 56.08 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.362 -176.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -87.99 -0.24 56.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.266 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -90.74 -177.39 4.98 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.195 0.521 . . . . 0.0 111.651 -175.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.475 ' O ' HG13 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -104.14 151.02 23.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.725 -178.635 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -66.17 -41.52 90.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.216 0.532 . . . . 0.0 109.796 178.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.654 ' HG ' ' HG3' ' A' ' 36' ' ' PRO . 1.3 tt -56.05 -47.31 78.14 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.532 174.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -60.99 -43.27 99.1 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 114.595 -1.184 . . . . 0.0 111.493 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.552 ' O ' HG12 ' A' ' 32' ' ' ILE . 78.0 mt -64.48 -53.59 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.587 177.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.09 94.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.79 -176.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.43 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 9.1 tmtt? -60.92 -39.67 90.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.122 -178.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.8 m -72.22 -27.87 62.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.552 HG12 ' O ' ' A' ' 28' ' ' ILE . 47.4 mm -70.3 -44.94 77.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-O 121.177 0.513 . . . . 0.0 110.233 176.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.8 20.17 4.64 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.687 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.5 m -128.02 169.84 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -82.85 144.34 47.97 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.364 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.654 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 11.6 Cg_endo -58.13 -28.69 84.74 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.779 2.319 . . . . 0.0 111.777 175.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.608 HE22 ' HG2' ' A' ' 36' ' ' PRO . 2.5 mp0 -59.2 -39.67 83.37 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.117 176.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.5 m -78.45 -37.65 43.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.044 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -61.97 -37.0 83.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.735 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -61.1 -42.54 98.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.485 HG22 HD12 ' A' ' 46' ' ' ILE . 40.1 p -69.26 -24.9 64.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.476 -178.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.654 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 51.5 m0 -73.04 -42.64 62.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.327 0.584 . . . . 0.0 109.532 174.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.5 t -67.67 -29.57 68.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.217 -177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -89.21 0.57 56.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.641 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.486 ' HA2' ' HB3' ' A' ' 11' ' ' SER . . . 74.32 13.44 81.49 Favored Glycine 0 C--O 1.235 0.167 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.59 178.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.485 HD12 HG22 ' A' ' 41' ' ' THR . 68.5 mt -66.97 -45.09 87.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.959 0.409 . . . . 0.0 110.036 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.28 160.53 40.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.025 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.438 HD11 ' HA ' ' A' ' 7' ' ' LYS . 31.9 mt -118.43 134.41 23.45 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.719 175.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.721 ' HB2' ' HB2' ' A' ' 53' ' ' LYS . 69.8 Cg_endo -72.25 169.46 21.52 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.89 2.393 . . . . 0.0 112.631 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -86.89 176.02 7.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.866 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -50.5 -47.81 57.15 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -171.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.74 -28.5 63.05 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.384 -0.436 . . . . 0.0 113.102 -177.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.721 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 3.4 mptp? -89.13 -38.52 14.26 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -61.51 -42.42 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.715 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -65.04 -33.53 76.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.78 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.75 -42.24 77.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.28 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.5 -48.76 76.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.718 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.18 -30.89 71.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.223 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.36 -35.9 40.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.84 0.353 . . . . 0.0 110.493 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -58.27 -40.91 83.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.885 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -94.1 -6.98 43.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.01 179.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 64.4 t30 55.49 67.75 0.97 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.63 -174.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.7 pt -139.07 -175.06 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.716 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -106.43 178.71 4.48 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.875 -0.416 . . . . 0.0 109.875 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HE3' ' HB2' ' A' ' 65' ' ' LYS . 13.6 ptmt -67.73 -35.71 79.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.686 0.279 . . . . 0.0 110.537 177.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 16.3 m -60.58 -38.1 83.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.576 -175.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -56.79 -34.28 67.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.604 -176.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.5 mt -94.54 -28.75 15.26 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.6 mm . . . . . 0 C--O 1.236 0.389 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -172.655 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.2 tttm . . . . . 0 N--CA 1.467 0.393 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -59.56 -42.7 93.03 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -173.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -65.21 -36.95 85.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.71 0.291 . . . . 0.0 111.506 -177.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.12 -43.72 82.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.71 -51.25 58.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.635 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -55.82 -49.4 73.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.036 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.549 ' HB2' ' HA3' ' A' ' 45' ' ' GLY . 40.0 t -61.36 -51.67 67.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.09 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -62.83 -36.38 83.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.876 0.369 . . . . 0.0 111.276 -173.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -72.51 -55.74 6.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.816 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 18' ' ' ILE . 50.5 tp -61.49 -45.58 93.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.548 -176.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -58.39 -38.96 78.39 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.069 0.461 . . . . 0.0 110.757 -175.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.1 m -62.04 -44.46 96.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.124 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -70.57 -31.86 69.04 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.389 -0.194 . . . . 0.0 111.061 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 14' ' ' LEU . 84.0 mt -63.81 -40.16 88.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.225 0.536 . . . . 0.0 110.21 176.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.46 -37.27 63.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.464 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -72.28 -33.98 67.84 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 p -75.94 -26.53 56.97 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.156 0.503 . . . . 0.0 109.656 174.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 62.56 30.78 17.1 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.685 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -94.47 150.33 20.37 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.94 174.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.519 ' OG1' ' HB2' ' A' ' 27' ' ' GLU . 1.3 p -75.79 146.32 40.07 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.946 0.403 . . . . 0.0 111.421 -176.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -58.87 -38.75 79.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.829 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.431 ' HG ' ' HB3' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -62.64 -44.98 94.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.249 177.704 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.519 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 0.8 OUTLIER -61.35 -52.06 66.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.885 -178.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.512 ' O ' HG12 ' A' ' 32' ' ' ILE . 61.6 mt -64.8 -40.36 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.109 -178.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.42 -43.22 75.1 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.521 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -64.43 -42.64 95.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.067 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.1 m -66.36 -29.7 69.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 28' ' ' ILE . 39.6 mm -74.56 -43.55 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.048 0.452 . . . . 0.0 110.346 176.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.57 18.54 4.41 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.321 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.3 m -126.67 173.87 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.721 0.296 . . . . 0.0 110.649 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.6 m -85.07 155.18 60.83 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.08 176.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.431 ' HB3' ' HG ' ' A' ' 26' ' ' LEU . 14.3 Cg_endo -56.77 -29.91 82.62 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.72 2.28 . . . . 0.0 112.147 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -66.03 -40.34 90.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.458 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.9 m -70.41 -37.07 74.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.707 0.765 . . . . 0.0 109.306 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -69.05 -34.69 75.59 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.961 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -64.47 -38.39 90.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.478 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.464 HG22 HD12 ' A' ' 46' ' ' ILE . 31.9 p -69.96 -22.68 63.14 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.011 -0.275 . . . . 0.0 111.279 177.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -76.99 -40.94 44.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.968 0.414 . . . . 0.0 110.055 175.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.1 t -64.9 -37.75 88.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.378 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.563 ' HB3' HG13 ' A' ' 46' ' ' ILE . 21.2 mmtt -71.02 -18.11 62.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.844 174.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.549 ' HA3' ' HB2' ' A' ' 11' ' ' SER . . . 69.89 39.19 75.55 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.152 -175.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.563 HG13 ' HB3' ' A' ' 44' ' ' LYS . 71.8 mt -85.47 -40.35 14.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.105 0.478 . . . . 0.0 110.594 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.54 147.67 41.53 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.738 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.3 mp -111.79 125.25 30.65 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.504 ' HB2' ' HB2' ' A' ' 53' ' ' LYS . 74.0 Cg_endo -75.13 174.66 12.41 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.987 2.458 . . . . 0.0 112.283 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -99.98 -168.09 1.55 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 53.0 tpp -50.34 -47.1 56.04 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.844 -168.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.7 -34.07 80.42 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 113.207 -175.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.504 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 9.7 mptt -92.87 -34.76 13.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.534 0.207 . . . . 0.0 111.065 -177.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.62 -42.8 96.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.781 0.324 . . . . 0.0 110.311 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -63.4 -38.92 93.02 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.86 -40.44 95.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.605 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.87 -50.13 67.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.234 176.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.31 -43.97 88.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.409 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -63.87 -42.04 97.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.204 0.526 . . . . 0.0 110.74 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -65.53 -33.3 75.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.004 -176.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -100.29 5.76 44.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.446 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 56.41 54.49 7.51 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.595 0.712 . . . . 0.0 111.011 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.9 pt -136.69 -171.45 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.806 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.406 ' HB2' ' OD1' ' A' ' 67' ' ' ASP . 35.9 m-80 -100.73 162.09 13.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.799 0.333 . . . . 0.0 110.191 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -60.21 -31.58 70.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.265 0.555 . . . . 0.0 110.952 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -72.62 -20.83 61.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.03 -176.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.406 ' OD1' ' HB2' ' A' ' 64' ' ' ASN . 6.5 m-20 -67.75 -24.72 65.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.112 0.482 . . . . 0.0 111.098 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.5 mt -92.98 -20.64 20.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.3 mm . . . . . 0 C--N 1.326 -0.453 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.986 -176.924 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt . . . . . 0 N--CA 1.453 -0.282 0 CA-C-O 120.878 0.371 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -64.16 -32.95 74.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.234 -175.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.527 ' HA ' HD11 ' A' ' 48' ' ' ILE . 41.4 mtpt -66.66 -32.54 73.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.974 0.416 . . . . 0.0 110.733 177.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.61 -37.37 59.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.4 174.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.7 mt -63.11 -48.83 85.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.997 178.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -59.67 -51.66 68.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.1 p -62.26 -37.32 85.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.809 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.75 -52.83 63.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.006 0.432 . . . . 0.0 110.449 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -67.63 -43.0 81.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.008 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.5 tp -61.71 -45.04 95.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 110.376 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -65.97 -34.04 77.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.559 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.1 t -53.95 -45.06 71.18 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.208 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -69.3 -49.26 57.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.965 0.412 . . . . 0.0 110.549 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.406 HG21 ' HG2' ' A' ' 25' ' ' GLN . 71.3 mt -64.09 -39.74 86.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.598 -175.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.18 -31.98 66.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.306 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -71.84 -41.02 68.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.269 0.556 . . . . 0.0 109.591 176.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.6 t -64.47 154.17 36.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.174 -176.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -99.15 24.01 8.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.946 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.531 ' HE3' ' HG3' ' A' ' 27' ' ' GLU . 41.7 tptt -109.09 150.76 27.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.661 -179.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 p -81.15 146.89 30.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.017 0.436 . . . . 0.0 111.834 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.406 ' HG2' HG21 ' A' ' 18' ' ' ILE . 53.4 mt-30 -61.04 -40.28 93.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.363 178.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.56 -45.91 81.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.824 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.531 ' HG3' ' HE3' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -57.8 -47.37 82.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.161 0.505 . . . . 0.0 110.671 -179.521 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.605 ' O ' HG12 ' A' ' 32' ' ' ILE . 62.9 mt -65.56 -48.89 81.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.636 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.33 84.15 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.718 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -64.12 -39.13 93.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.5 m -67.88 -34.69 77.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.882 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.605 HG12 ' O ' ' A' ' 28' ' ' ILE . 48.5 mm -65.14 -44.36 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.242 0.544 . . . . 0.0 109.537 174.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 118.33 18.78 4.85 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.021 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.93 160.04 20.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.993 0.425 . . . . 0.0 110.625 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.7 m -73.62 146.98 86.57 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.188 176.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.68 -26.21 71.79 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.605 2.204 . . . . 0.0 111.401 176.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -63.52 -43.48 97.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.302 176.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.6 m -70.82 -39.06 73.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.35 0.595 . . . . 0.0 109.843 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -63.42 -34.66 78.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.909 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -66.49 -39.69 88.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.019 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.0 p -68.07 -22.95 64.91 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.717 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.599 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 54.6 m0 -76.3 -45.16 33.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.241 0.543 . . . . 0.0 109.547 173.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.5 t -62.54 -31.05 71.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.527 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.772 ' HA ' ' HE2' ' A' ' 44' ' ' LYS . 6.9 mmpt? -85.75 -3.73 58.98 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.526 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.1 24.81 75.8 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.903 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.4 mt -77.74 -37.6 24.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.306 0.574 . . . . 0.0 110.13 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.21 150.1 33.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.168 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.527 HD11 ' HA ' ' A' ' 7' ' ' LYS . 86.8 mt -106.54 128.36 26.38 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.691 176.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.599 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 42.7 Cg_endo -64.97 153.37 78.57 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.547 2.165 . . . . 0.0 111.538 178.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 54' ' ' VAL . 48.8 mtt180 -90.51 173.93 7.81 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -178.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 82.8 mtp -54.97 -30.78 59.83 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -170.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.59 -45.15 96.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.565 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.584 ' N ' ' HE2' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -85.62 -31.49 22.55 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.48 -0.423 . . . . 0.0 111.078 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 50' ' ' ARG . 65.2 t -63.98 -34.16 66.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.805 0.336 . . . . 0.0 110.289 178.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -52.92 -42.47 65.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.74 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.78 -40.02 76.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.759 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.4 -48.12 82.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.513 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.97 -28.58 69.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.077 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.67 -41.84 59.56 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.095 0.474 . . . . 0.0 110.752 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -64.07 -40.61 96.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.965 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -91.0 -6.99 53.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.293 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.2 m120 54.78 57.71 5.45 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.511 0.672 . . . . 0.0 111.237 -176.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.5 pt -134.49 -171.84 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.823 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -96.71 160.43 14.38 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.7 -32.56 74.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.061 0.458 . . . . 0.0 110.212 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 18.7 p -74.63 -26.06 59.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.721 -179.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -61.81 -24.88 67.15 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -172.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.87 -19.85 22.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.736 0.303 . . . . 0.0 111.473 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.0 mm . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.102 -174.793 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.48 ' O ' HG13 ' A' ' 9' ' ' ILE . 61.6 mttp . . . . . 0 C--O 1.226 -0.136 0 N-CA-C 111.541 0.2 . . . . 0.0 111.541 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -58.49 -42.94 88.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.075 0.464 . . . . 0.0 110.866 -178.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -66.99 -36.53 82.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.861 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.0 -31.97 64.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.07 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 5' ' ' LYS . 85.7 mt -66.53 -42.5 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 174.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -57.83 -47.87 81.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.981 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 p -67.44 -46.85 71.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.098 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -57.83 -41.6 82.63 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.323 0.583 . . . . 0.0 110.327 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.82 -51.56 64.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.265 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 18' ' ' ILE . 43.6 tp -58.5 -48.05 82.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.335 -179.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -58.92 -32.86 69.94 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.717 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.3 m -58.67 -37.76 76.71 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -75.8 -46.52 30.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.99 178.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.523 HD11 ' HG ' ' A' ' 14' ' ' LEU . 52.3 mt -60.8 -40.82 86.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.619 -174.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.25 -12.83 60.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.793 -176.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -104.13 -17.64 14.83 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.142 0.496 . . . . 0.0 110.407 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.9 t -83.1 168.36 16.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.088 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -90.22 -3.68 57.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.281 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.629 ' HG2' ' OH ' ' A' ' 60' ' ' TYR . 1.9 mptm? -86.52 149.15 25.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.621 -176.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.5 p -98.35 167.37 10.88 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.378 176.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -60.17 -33.86 72.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.279 0.562 . . . . 0.0 110.303 178.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mt -68.05 -41.54 81.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.352 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -62.39 -50.75 70.3 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.559 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.48 ' O ' HG12 ' A' ' 32' ' ' ILE . 58.8 mt -63.37 -44.48 99.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.84 -177.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.99 -42.14 79.7 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.793 0.33 . . . . 0.0 111.064 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' C ' ' HD2' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -60.31 -43.91 95.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.51 177.819 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.3 m -74.99 -18.74 60.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.769 -174.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 28' ' ' ILE . 50.5 mm -87.52 -44.7 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.04 0.448 . . . . 0.0 109.925 175.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.56 28.6 2.28 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.032 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.422 ' HB ' ' HB ' ' A' ' 38' ' ' THR . 27.0 m -131.53 176.74 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.772 0.32 . . . . 0.0 110.721 -178.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 m -84.24 156.53 63.07 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.54 -33.66 93.34 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.577 2.185 . . . . 0.0 111.781 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -73.97 -27.67 61.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.347 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.422 ' HB ' ' HB ' ' A' ' 34' ' ' VAL . 1.8 m -71.14 -38.18 72.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -71.35 -40.52 70.63 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.284 -1.325 . . . . 0.0 110.456 177.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.402 ' HA ' ' HB2' ' A' ' 43' ' ' CYS . 17.7 t30 -68.23 -32.7 73.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.926 -176.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.516 HG22 HD12 ' A' ' 46' ' ' ILE . 1.9 p -67.32 -33.79 76.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.78 0.324 . . . . 0.0 110.665 176.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.523 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 35.0 m0 -70.17 -38.63 75.46 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 171.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 40' ' ' ASN . 96.3 m -62.45 -31.25 71.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.254 177.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.419 ' HB3' ' HE3' ' A' ' 44' ' ' LYS . 26.7 mtpp -84.75 -3.55 58.64 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 177.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.61 29.36 74.45 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.61 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.516 HD12 HG22 ' A' ' 41' ' ' THR . 75.6 mt -72.87 -49.48 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.126 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.82 156.77 46.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.069 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.2 mt -100.23 129.41 28.22 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.541 ' HG2' HG22 ' A' ' 54' ' ' VAL . 37.5 Cg_endo -64.82 169.3 11.86 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.625 2.217 . . . . 0.0 112.055 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 54' ' ' VAL . 9.8 ttm180 -75.9 160.32 30.03 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 48.6 ttm -50.43 -41.75 52.94 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -168.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.36 -47.57 90.44 Favored Glycine 0 CA--C 1.516 0.153 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.933 -177.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.406 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 49.6 mttp -76.47 -22.01 55.11 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.74 -0.271 . . . . 0.0 111.589 -178.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.541 HG22 ' HG2' ' A' ' 49' ' ' PRO . 94.3 t -65.4 -42.69 94.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 173.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -66.74 -32.97 74.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.125 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.84 -42.68 94.74 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.737 176.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 53' ' ' LYS . 95.0 mt -59.14 -49.79 76.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.799 177.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.21 91.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.83 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.3 -45.42 93.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.041 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . 0.629 ' OH ' ' HG2' ' A' ' 23' ' ' LYS . 85.2 t80 -59.46 -38.75 81.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.146 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -90.23 4.86 49.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.959 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 64.55 18.44 11.38 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.185 174.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.1 pt -111.58 179.42 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.033 0.444 . . . . 0.0 111.503 -174.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -93.36 162.6 13.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.563 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' H ' ' HD2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -66.07 -33.67 76.32 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.031 0.443 . . . . 0.0 110.109 179.277 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.403 ' N ' ' HG2' ' A' ' 65' ' ' LYS . 13.5 m -66.94 -21.2 65.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.866 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -73.78 -25.48 60.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 110.445 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 86.3 mt -93.81 -37.06 11.96 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.248 177.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 65' ' ' LYS . 48.8 mm . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.004 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.3 pttt . . . . . 0 CA--C 1.529 0.17 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -73.84 -30.72 62.83 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.744 -175.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.416 ' HE2' HG13 ' A' ' 48' ' ' ILE . 41.8 ttmt -62.3 -42.9 99.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.305 175.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.66 -40.89 92.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.8 -51.29 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.402 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 91.9 t80 -56.34 -49.8 73.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.413 -178.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.495 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 23.9 p -61.14 -45.99 92.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.106 -177.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -69.33 -42.42 75.37 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -59.58 -52.28 66.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.708 0.29 . . . . 0.0 110.716 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.456 ' O ' HG13 ' A' ' 18' ' ' ILE . 58.2 tp -62.98 -41.11 99.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.84 0.352 . . . . 0.0 110.481 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' A' ' 11' ' ' SER . 13.1 t-20 -56.28 -44.72 80.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.44 -177.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.7 p -60.64 -47.73 84.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.169 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -60.28 -38.55 83.94 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.657 0.265 . . . . 0.0 110.937 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 14' ' ' LEU . 88.2 mt -63.72 -48.64 85.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.931 0.396 . . . . 0.0 110.627 178.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.21 -32.63 74.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.469 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -76.04 -29.91 58.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.65 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.9 t -77.95 -11.85 59.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.382 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 65.28 14.24 9.29 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.517 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -87.97 150.34 23.5 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 120.851 0.358 . . . . 0.0 110.123 178.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.3 p -81.47 160.6 23.94 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 176.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -60.01 -36.73 77.85 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.384 0.611 . . . . 0.0 109.38 175.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.83 -44.89 91.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.905 177.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.11 -53.2 59.92 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.432 ' O ' HG13 ' A' ' 32' ' ' ILE . 53.7 mt -68.57 -42.67 83.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.88 -177.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.93 -45.66 91.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.978 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.47 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 8.0 tmtm? -63.08 -38.14 89.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.081 0.467 . . . . 0.0 109.952 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.4 m -67.42 -28.26 67.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.066 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 28' ' ' ILE . 73.9 mt -86.87 -44.76 16.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.98 0.419 . . . . 0.0 110.82 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.32 -13.89 8.31 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.096 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -82.78 159.02 3.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.819 0.343 . . . . 0.0 110.849 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 m -76.54 144.02 73.11 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.131 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.84 -33.55 88.75 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.108 2.539 . . . . 0.0 112.787 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -58.78 -45.39 89.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.924 0.392 . . . . 0.0 110.571 177.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.6 m -67.65 -38.42 83.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.62 0.724 . . . . 0.0 109.591 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.64 -42.17 98.17 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.08 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -69.29 -33.32 73.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.363 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.418 ' HA ' HD12 ' A' ' 46' ' ' ILE . 31.8 p -68.11 -23.29 64.89 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.825 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.673 ' CE2' ' HB3' ' A' ' 49' ' ' PRO . 31.5 m0 -77.57 -45.73 24.41 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 172.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.4 m -58.3 -37.16 74.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.825 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -89.15 10.49 21.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.715 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.08 40.38 93.44 Favored Glycine 0 C--N 1.329 0.186 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.872 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 41' ' ' THR . 72.9 mt -92.52 -58.76 3.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.246 0.546 . . . . 0.0 109.801 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.54 155.21 40.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.498 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.416 HG13 ' HE2' ' A' ' 7' ' ' LYS . 97.2 mt -100.98 129.12 27.92 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.673 ' HB3' ' CE2' ' A' ' 42' ' ' TRP . 61.6 Cg_endo -70.83 145.7 51.64 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.497 2.131 . . . . 0.0 111.482 177.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -76.7 169.72 17.77 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.124 178.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 51.1 ttp -59.29 -27.74 66.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -167.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.99 -32.05 82.78 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.289 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.476 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 3.2 mptp? -90.63 -36.05 14.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.722 0.296 . . . . 0.0 110.455 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.54 -39.89 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.056 0.455 . . . . 0.0 110.149 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.63 -41.6 95.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.739 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.87 85.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.18 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.56 -50.79 69.95 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.866 0.365 . . . . 0.0 110.45 177.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.49 72.39 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.657 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.44 -46.82 65.84 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.237 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -67.69 -38.52 83.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.139 0.495 . . . . 0.0 110.843 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -89.12 -6.13 57.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.143 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.9 m120 53.87 49.65 18.6 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.392 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.6 pt -129.46 -171.7 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.656 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -97.4 159.53 14.86 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -68.87 -30.6 69.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.996 0.427 . . . . 0.0 110.781 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.9 m -71.75 -22.56 61.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.401 -178.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -64.62 -27.91 69.26 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.954 0.407 . . . . 0.0 110.97 -178.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.472 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 97.8 mt -93.76 -20.73 19.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.314 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.8 mm . . . . . 0 C--N 1.329 -0.305 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -174.346 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.6 tptt . . . . . 0 C--O 1.234 0.241 0 CA-C-O 120.772 0.32 . . . . 0.0 111.278 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -67.14 -40.81 86.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.321 -173.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HA ' HD11 ' A' ' 48' ' ' ILE . 97.8 mttt -56.45 -34.4 66.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 111.166 178.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.91 -46.72 56.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.983 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.4 mt -68.3 -51.43 47.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.708 0.289 . . . . 0.0 110.958 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -58.56 -49.19 78.32 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.303 -177.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.5 t -68.74 -35.44 77.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.816 -177.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.85 -52.23 65.93 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.352 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -59.84 -46.88 87.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.7 tp -56.54 -45.87 80.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.399 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.91 -41.87 83.55 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.2 m -56.91 -51.6 68.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.356 -177.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -67.9 -43.55 79.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.103 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 86.9 mt -60.7 -47.57 92.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.855 0.36 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.31 -17.37 62.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.8 -176.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -81.44 -15.91 53.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.047 0.451 . . . . 0.0 111.416 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.0 t -100.5 139.53 36.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.722 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -100.51 94.88 6.37 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.596 ' HE2' ' HG3' ' A' ' 27' ' ' GLU . 71.0 tttt -161.64 -174.0 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -177.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.57 ' H ' ' HG2' ' A' ' 23' ' ' LYS . 12.6 p -101.55 138.31 38.71 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.403 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -61.45 -34.09 74.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.554 177.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.465 ' HG ' ' HG3' ' A' ' 36' ' ' PRO . 1.1 tt -54.37 -46.55 73.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.889 176.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.596 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 1.3 tm-20 -56.76 -45.6 81.98 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.152 0.501 . . . . 0.0 110.671 179.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.467 ' O ' HG13 ' A' ' 32' ' ' ILE . 54.9 mt -63.88 -47.99 88.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.617 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.24 -39.47 92.94 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.032 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 30' ' ' LYS . 13.5 tmtt? -62.92 -41.08 99.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.451 178.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.8 t -65.53 -40.49 92.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.467 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 28' ' ' ILE . 76.5 mt -64.08 -44.53 97.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.14 0.495 . . . . 0.0 110.175 176.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.72 23.95 5.44 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.073 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.2 m -123.7 174.46 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.6 0.238 . . . . 0.0 110.657 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.4 m -85.6 146.49 44.22 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 120.906 0.384 . . . . 0.0 110.618 178.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.465 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 52.4 Cg_exo -54.61 -37.01 90.88 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 123.112 2.541 . . . . 0.0 113.033 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -69.8 -28.72 65.97 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.644 0.259 . . . . 0.0 111.618 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.3 m -71.64 -38.8 70.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -67.35 -37.48 83.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.456 -1.247 . . . . 0.0 109.871 175.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -63.37 -44.16 95.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.514 HG22 HD12 ' A' ' 46' ' ' ILE . 3.1 p -63.64 -32.16 73.55 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.603 0.239 . . . . 0.0 111.593 179.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.509 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 43.3 m0 -70.01 -41.68 74.0 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.237 0.541 . . . . 0.0 109.791 175.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.9 t -71.54 -15.29 62.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.981 -177.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -94.97 -4.36 46.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 120.744 0.307 . . . . 0.0 110.923 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.91 25.13 70.09 Favored Glycine 0 N--CA 1.453 -0.168 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.005 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.514 HD12 HG22 ' A' ' 41' ' ' THR . 65.8 mt -80.59 -39.4 18.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.053 0.454 . . . . 0.0 110.617 -179.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.69 156.79 42.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.67 -178.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.451 HD11 ' HA ' ' A' ' 7' ' ' LYS . 97.3 mt -115.21 126.66 27.56 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.018 177.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.509 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 83.0 Cg_endo -73.6 166.49 29.66 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.229 2.619 . . . . 0.0 112.422 -179.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -79.77 174.89 11.13 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.893 0.378 . . . . 0.0 111.425 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.5 tpt -53.27 -34.7 58.33 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.063 -175.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.95 -31.08 60.96 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.875 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.496 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 13.9 mptt -99.26 -35.77 9.86 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.846 -0.208 . . . . 0.0 110.848 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.0 t -61.69 -42.03 92.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 110.767 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.473 ' NE2' ' HB2' ' A' ' 59' ' ' ASP . 1.0 OUTLIER -59.94 -42.56 94.26 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.037 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.17 -36.9 85.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.206 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.2 mt -60.38 -51.16 70.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.088 0.47 . . . . 0.0 110.689 177.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.71 -22.73 62.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.019 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.473 ' HB2' ' NE2' ' A' ' 55' ' ' GLN . 14.7 t70 -77.87 -41.07 37.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.614 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -59.18 -40.92 87.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.083 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -90.48 -7.95 51.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.854 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.9 t30 55.93 67.66 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.672 -176.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.8 pt -136.78 -168.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.298 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.417 ' HB2' ' OD2' ' A' ' 67' ' ' ASP . 53.5 m-80 -90.94 156.14 18.2 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 175.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.709 ' H ' ' HD2' ' A' ' 65' ' ' LYS . 9.1 mptt -68.02 -36.11 79.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.41 0.624 . . . . 0.0 109.334 -178.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.5 p -68.46 -19.3 64.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.79 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.417 ' OD2' ' HB2' ' A' ' 64' ' ' ASN . 5.1 m-20 -65.82 -30.49 71.13 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.991 0.424 . . . . 0.0 111.021 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.4 mt -93.39 -20.72 20.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.114 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 65' ' ' LYS . 41.5 mt . . . . . 0 C--N 1.325 -0.473 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.633 -174.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.431 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.158 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -67.88 -32.92 73.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.223 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -61.97 -46.01 91.15 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.252 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.16 -42.73 88.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.279 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.2 mt -63.74 -51.29 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -57.97 -49.94 75.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.216 -178.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.2 p -65.29 -46.33 80.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.715 -175.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -67.07 -36.37 81.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.92 0.391 . . . . 0.0 110.554 -178.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -62.35 -52.29 64.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.678 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.471 ' O ' HG13 ' A' ' 18' ' ' ILE . 65.3 tp -61.15 -45.01 96.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.009 178.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -56.36 -37.43 70.04 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.655 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 49.2 m -62.22 -40.55 96.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.12 177.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -66.93 -45.55 77.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.645 0.26 . . . . 0.0 110.718 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 14' ' ' LEU . 63.9 mt -55.49 -51.41 57.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.282 -177.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.25 -26.75 62.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.02 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 16' ' ' SER . 25.4 mttp -93.67 -0.87 55.87 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -175.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.6 m -98.6 -5.33 32.13 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.788 173.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 52.79 47.19 25.22 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.944 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -130.89 145.59 52.06 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.7 p -84.33 160.48 20.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.993 0.425 . . . . 0.0 111.422 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -58.59 -38.47 78.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.452 0.644 . . . . 0.0 109.606 175.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -60.93 -48.81 80.09 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.418 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -61.59 -35.38 77.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 0.0 111.787 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.0 mt -74.28 -47.55 40.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.784 0.326 . . . . 0.0 110.724 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.67 -30.75 70.93 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.039 0.447 . . . . 0.0 110.754 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.12 -42.09 76.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.515 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.7 t -77.41 -32.6 54.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.994 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.446 HD11 HD23 ' A' ' 57' ' ' LEU . 62.1 mt -74.39 -44.89 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -177.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.04 39.91 2.39 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.688 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 19.7 m -133.44 159.75 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.543 0.211 . . . . 0.0 110.693 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.2 m -77.47 145.42 71.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.583 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.1 -33.29 97.2 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 123.114 2.542 . . . . 0.0 113.259 -177.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -66.48 -31.58 72.41 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.023 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.3 m -78.61 -30.0 46.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.637 0.732 . . . . 0.0 109.692 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.401 ' HA ' ' CE3' ' A' ' 42' ' ' TRP . 57.0 t80 -71.23 -35.15 71.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.934 175.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -63.32 -36.83 84.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.991 -177.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -32.36 73.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.615 0.245 . . . . 0.0 111.421 177.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.568 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 27.1 m0 -74.99 -43.93 51.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.429 0.633 . . . . 0.0 109.683 176.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.9 t -67.23 -28.41 68.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.18 -177.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.615 ' HD3' HD11 ' A' ' 46' ' ' ILE . 32.1 tttp -85.17 -2.61 58.21 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.233 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.2 31.23 64.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 113.121 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.615 HD11 ' HD3' ' A' ' 44' ' ' LYS . 61.6 mt -89.61 -37.18 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.941 0.401 . . . . 0.0 110.765 -179.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.5 163.16 40.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.929 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.3 mt -111.95 134.64 21.34 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.655 176.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.568 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 60.5 Cg_endo -69.95 173.72 10.73 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.507 2.138 . . . . 0.0 112.086 178.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.416 ' O ' HG23 ' A' ' 54' ' ' VAL . 57.2 ttt180 -70.19 159.29 34.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.139 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 54.1 tpp -51.18 -45.83 61.92 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -172.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.11 -39.21 96.81 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.598 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -73.48 -29.36 62.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.659 0.266 . . . . 0.0 111.095 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 50' ' ' ARG . 93.9 t -65.69 -41.2 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.225 0.536 . . . . 0.0 109.645 173.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -63.2 -35.02 78.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.891 176.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.81 -35.91 82.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 110.732 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.446 HD23 HD11 ' A' ' 32' ' ' ILE . 77.7 mt -64.61 -51.96 59.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.396 176.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.99 82.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.821 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.76 -45.98 92.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.019 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -67.33 -31.13 71.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.183 -175.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -89.68 -5.0 57.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.919 0.39 . . . . 0.0 110.667 176.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.5 t30 59.18 52.34 6.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.672 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.7 pt -135.77 -171.49 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.124 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -102.35 159.84 15.06 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 176.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -65.9 -28.78 69.19 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -59.17 -25.65 64.1 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.288 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -76.1 -24.63 55.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.404 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.7 mt -94.49 -43.4 8.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.338 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.5 mm . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.258 -175.171 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.562 ' O ' HG13 ' A' ' 9' ' ' ILE . 52.0 tttm . . . . . 0 C--O 1.228 -0.041 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.535 ' HA ' HD12 ' A' ' 9' ' ' ILE . 6.6 tp-100 -55.79 -35.73 66.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.55 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -66.65 -35.65 80.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.021 0.438 . . . . 0.0 110.756 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.02 -34.05 59.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.543 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 5' ' ' LYS . 77.9 mt -60.4 -50.84 78.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.213 177.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -53.91 -45.11 71.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.235 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.4 t -61.23 -52.55 64.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.889 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.19 -53.32 59.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.497 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -64.42 -44.16 92.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.581 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.553 ' HG ' HD11 ' A' ' 18' ' ' ILE . 42.3 tp -61.24 -47.84 84.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.532 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -57.98 -35.81 71.72 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.812 -178.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 m -61.42 -42.24 98.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -77.62 -37.19 50.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.124 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.553 HD11 ' HG ' ' A' ' 14' ' ' LEU . 79.7 mt -57.71 -50.05 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.768 0.318 . . . . 0.0 110.902 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.08 -34.24 77.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.501 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -79.08 -26.39 43.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.732 -178.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.7 t -78.64 -33.26 47.35 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 173.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 65.07 28.45 12.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.275 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -96.65 145.25 25.94 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 167.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.2 p -71.53 156.53 39.32 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.594 -174.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -57.82 -35.52 70.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.288 0.566 . . . . 0.0 109.843 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.0 mt -61.35 -49.87 75.21 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.739 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -61.04 -43.19 99.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.746 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.524 ' O ' HG12 ' A' ' 32' ' ' ILE . 63.9 mt -64.68 -47.09 90.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.715 178.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.17 87.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.771 0.319 . . . . 0.0 110.685 178.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -58.81 -42.08 88.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.635 175.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -67.82 -40.71 83.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.808 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 28' ' ' ILE . 46.2 mm -69.3 -43.14 81.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.124 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.89 26.19 4.81 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.231 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.5 m -129.58 164.48 32.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.683 0.278 . . . . 0.0 110.558 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.3 m -71.88 144.15 87.62 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.269 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.77 -30.45 92.05 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 123.068 2.512 . . . . 0.0 112.505 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.473 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 44.2 mt-30 -75.2 -22.91 57.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.813 0.339 . . . . 0.0 111.32 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 m -77.61 -37.0 51.18 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -62.51 -35.09 78.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.707 173.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . 0.473 ' HB3' ' O ' ' A' ' 37' ' ' GLN . 2.8 t30 -54.07 -48.28 70.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.898 178.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 p -67.56 -24.22 65.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.725 0.298 . . . . 0.0 111.673 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.534 ' CE2' ' HB3' ' A' ' 49' ' ' PRO . 49.3 m0 -79.85 -47.79 14.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.28 0.562 . . . . 0.0 110.036 177.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 46.6 t -64.15 -29.11 70.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.054 -177.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -80.46 -8.19 59.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.586 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.22 37.25 80.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.962 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.6 mt -89.07 -39.32 12.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.53 147.41 27.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.199 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.6 mt -100.22 127.14 34.01 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.534 ' HB3' ' CE2' ' A' ' 42' ' ' TRP . 56.9 Cg_endo -68.64 174.46 8.46 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 123.017 2.478 . . . . 0.0 112.632 -178.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -75.91 153.52 36.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.855 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -50.95 -30.5 15.06 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.15 -47.53 60.75 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 121.439 -0.41 . . . . 0.0 113.184 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -89.35 -23.49 22.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.881 0.341 . . . . 0.0 111.191 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.421 HG22 ' HG2' ' A' ' 49' ' ' PRO . 98.5 t -62.79 -44.36 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.025 0.44 . . . . 0.0 110.192 176.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.472 ' OE1' ' HE2' ' A' ' 65' ' ' LYS . 51.7 tp60 -65.18 -32.59 74.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.0 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.53 -43.16 90.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.668 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.4 mt -59.17 -51.06 71.62 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.591 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.37 94.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.211 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -68.85 -36.49 78.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -61.17 -38.98 88.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.839 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -90.4 3.53 53.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.777 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 54.18 48.23 21.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.387 -177.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.3 pt -122.93 -172.24 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.234 176.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -101.65 160.33 14.55 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.629 ' O ' HG13 ' A' ' 69' ' ' ILE . 20.0 ptpt -58.31 -30.81 66.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.242 0.544 . . . . 0.0 109.598 177.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 m -60.26 -29.28 68.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.355 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.61 -28.95 70.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.137 0.494 . . . . 0.0 110.77 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.9 mt -95.14 -20.86 18.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.404 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.629 HG13 ' O ' ' A' ' 65' ' ' LYS . 24.6 mt . . . . . 0 C--N 1.33 -0.269 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -174.198 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.463 ' NZ ' ' HB2' ' A' ' 5' ' ' LYS . 4.7 ttmp? . . . . . 0 N--CA 1.455 -0.183 0 CA-C-O 121.126 0.489 . . . . 0.0 110.479 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -59.5 -34.9 73.17 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.422 176.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.595 ' HG2' HG13 ' A' ' 48' ' ' ILE . 64.5 mttp -71.13 -29.05 64.76 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.316 -178.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.91 -39.84 75.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.049 0.452 . . . . 0.0 110.079 177.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.7 mt -67.06 -44.44 88.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.896 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.558 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 89.5 t80 -55.34 -53.71 52.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.136 178.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 p -65.14 -46.15 82.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.753 -176.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -60.22 -42.31 94.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.632 0.253 . . . . 0.0 111.064 -177.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -63.86 -43.49 95.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.455 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 18' ' ' ILE . 31.2 tp -59.74 -51.37 70.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.585 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -55.98 -45.18 79.03 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.911 0.386 . . . . 0.0 111.303 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.8 m -60.15 -42.09 94.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.982 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -74.44 -38.79 62.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.83 0.348 . . . . 0.0 111.073 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.527 HG21 ' HG2' ' A' ' 25' ' ' GLN . 80.6 mt -67.89 -47.27 79.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.238 -178.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.09 -25.08 65.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.787 0.327 . . . . 0.0 111.366 -177.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -81.42 -20.98 39.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.195 0.522 . . . . 0.0 110.396 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.9 t -82.15 160.49 23.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.298 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.6 -34.59 58.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.365 -178.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -76.52 150.19 36.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.513 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.0 p -88.88 171.93 9.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.292 0.568 . . . . 0.0 111.731 -176.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.527 ' HG2' HG21 ' A' ' 18' ' ' ILE . 53.3 mt-30 -54.79 -37.1 65.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.298 173.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.87 -38.75 83.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.529 -178.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.79 -49.55 70.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.783 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.447 ' O ' HG13 ' A' ' 32' ' ' ILE . 62.5 mt -62.49 -44.03 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 -178.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.72 93.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.878 0.37 . . . . 0.0 111.061 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -68.27 -38.39 81.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.744 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.7 t -61.22 -43.08 99.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.271 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 28' ' ' ILE . 64.5 mt -69.56 -44.69 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.309 177.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.95 31.32 2.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.304 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.441 ' CG1' ' HD3' ' A' ' 53' ' ' LYS . 34.7 m -119.81 157.05 22.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.771 0.319 . . . . 0.0 110.544 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.6 m -69.44 144.31 94.3 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.773 176.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.87 -26.39 67.27 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.128 1.886 . . . . 0.0 111.903 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -64.54 -44.2 91.59 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 121.001 0.429 . . . . 0.0 110.676 175.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 m -69.03 -42.94 75.69 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.576 0.703 . . . . 0.0 109.269 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.92 -38.68 83.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.969 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -65.16 -45.01 86.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.904 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.404 HG22 HD12 ' A' ' 46' ' ' ILE . 26.5 p -64.22 -25.8 68.23 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.438 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.445 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 50.5 m0 -75.75 -45.98 33.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.203 0.525 . . . . 0.0 109.812 174.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 t -71.21 -18.78 62.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.037 -176.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -91.6 -3.99 55.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.313 176.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.26 29.08 66.89 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.563 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.404 HD12 HG22 ' A' ' 41' ' ' THR . 67.2 mt -84.52 -40.69 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.035 0.445 . . . . 0.0 110.361 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.68 154.95 38.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.18 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.595 HG13 ' HG2' ' A' ' 7' ' ' LYS . 73.3 mt -114.85 129.84 24.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.445 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 40.7 Cg_endo -65.57 -170.42 0.17 Allowed 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.066 2.51 . . . . 0.0 112.802 -178.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.576 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 3.6 mmp_? -87.64 162.45 17.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.201 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.6 ptp -53.57 -34.42 58.27 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.545 0.528 . . . . 0.0 112.183 -171.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.81 -40.64 98.63 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.489 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.441 ' HD3' ' CG1' ' A' ' 34' ' ' VAL . 14.8 ttmt -84.39 -29.35 26.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.775 0.321 . . . . 0.0 110.225 -177.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.418 ' HA ' HD12 ' A' ' 57' ' ' LEU . 90.5 t -63.78 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 171.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.88 -37.58 87.48 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.153 175.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.59 87.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.751 0.31 . . . . 0.0 111.04 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 54' ' ' VAL . 81.5 mt -62.8 -51.54 66.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.378 176.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.8 74.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.786 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.88 -42.17 97.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.743 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -64.28 -38.06 89.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.961 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.503 ' HB2' HG12 ' A' ' 63' ' ' ILE . 90.7 m-85 -92.65 -4.28 53.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.7 t30 61.91 27.5 16.72 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.559 0.695 . . . . 0.0 110.789 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.503 HG12 ' HB2' ' A' ' 61' ' ' PHE . 35.0 pt -107.93 -171.67 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.667 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -95.71 152.94 18.01 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -62.91 -29.08 70.5 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.098 0.475 . . . . 0.0 109.981 176.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.3 p -68.03 -24.85 65.15 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.142 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.92 -24.62 67.08 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.841 0.353 . . . . 0.0 111.173 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.558 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 91.1 mt -93.63 -20.91 19.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.898 0.38 . . . . 0.0 111.031 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.8 mm . . . . . 0 C--N 1.325 -0.466 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -172.515 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.3 mttt . . . . . 0 N--CA 1.46 0.061 0 N-CA-C 111.488 0.181 . . . . 0.0 111.488 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -56.64 -37.08 70.26 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.062 0.458 . . . . 0.0 110.288 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -64.32 -45.13 89.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.37 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.29 -45.04 64.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.453 -177.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.0 mt -63.68 -46.28 95.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.892 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -59.06 -45.12 91.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.955 0.407 . . . . 0.0 110.225 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.548 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 45.6 t -60.43 -53.75 53.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.942 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.83 -46.13 90.84 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.229 -176.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -62.5 -57.33 11.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.758 -176.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 17' ' ' TYR . 61.9 tp -61.38 -39.26 90.02 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.948 -177.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.548 ' HB2' ' O ' ' A' ' 11' ' ' SER . 6.5 t-20 -58.19 -35.87 72.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.512 -179.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -66.4 -42.4 87.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.443 -177.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.401 ' HD2' ' HA ' ' A' ' 14' ' ' LEU . 83.8 m-85 -65.35 -42.03 93.28 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.055 0.455 . . . . 0.0 109.921 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.7 mt -67.25 -39.5 83.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.194 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.86 -29.54 67.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.003 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -81.64 -33.9 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.955 0.407 . . . . 0.0 110.47 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.8 m -66.8 145.08 55.88 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.234 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -75.95 -24.16 55.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.095 0.474 . . . . 0.0 110.219 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -77.12 134.31 38.75 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.638 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.4 p -82.19 177.27 8.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.774 -174.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -55.32 -37.4 67.35 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.468 174.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.45 -50.34 63.68 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.71 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -64.27 -37.21 86.68 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.818 -175.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.19 -49.41 67.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.719 0.295 . . . . 0.0 110.316 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.59 80.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -57.29 -39.16 75.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.454 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.4 t -79.33 -25.16 42.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.963 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.3 mt -82.44 -44.75 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 110.656 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.81 4.12 15.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.3 m -100.18 156.14 4.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.4 m -69.74 149.01 96.76 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.794 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.92 -35.55 80.52 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.785 2.323 . . . . 0.0 112.257 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -66.22 -31.28 72.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.415 178.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.8 m -72.54 -44.91 61.5 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -65.87 -34.63 78.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.243 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -58.06 -43.82 87.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.971 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.4 p -63.8 -31.2 72.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.73 0.3 . . . . 0.0 111.296 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -74.1 -43.72 56.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.064 0.459 . . . . 0.0 110.203 177.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.67 -36.43 80.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.591 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.552 ' HB3' HG13 ' A' ' 46' ' ' ILE . 3.9 tmtm? -75.25 -11.99 60.19 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 176.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.54 ' HA3' ' HB2' ' A' ' 11' ' ' SER . . . 69.78 38.93 76.82 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.63 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.552 HG13 ' HB3' ' A' ' 44' ' ' LYS . 80.5 mt -84.68 -42.15 16.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.089 0.471 . . . . 0.0 110.227 178.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.16 153.81 36.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.644 -178.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 98.7 mt -103.27 127.29 30.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.722 176.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -68.23 179.18 3.05 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.443 2.762 . . . . 0.0 113.01 -177.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.411 ' O ' HG23 ' A' ' 54' ' ' VAL . 30.1 mmt180 -79.39 161.47 26.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.28 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.4 ptp -53.7 -33.61 56.05 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.59 0.556 . . . . 0.0 112.085 -175.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.31 -37.07 94.27 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.754 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -89.21 -27.22 20.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.727 -0.278 . . . . 0.0 110.947 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 50' ' ' ARG . 87.3 t -63.64 -40.36 88.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 172.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -60.31 -38.88 85.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.262 175.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.81 94.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.077 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.28 -49.4 77.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.394 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.15 -32.82 74.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.157 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -72.72 -41.4 65.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.656 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -59.95 -44.94 94.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.184 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -87.38 -9.55 54.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.257 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.8 t30 59.14 57.61 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.768 0.794 . . . . 0.0 110.233 -176.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.5 pt -133.64 178.23 5.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.914 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -96.3 168.87 10.31 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -64.85 -32.23 73.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.243 0.544 . . . . 0.0 110.128 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.5 m -73.89 -20.98 60.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.51 -177.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.73 -23.98 67.42 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.729 0.299 . . . . 0.0 111.332 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -94.06 -19.9 20.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.255 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 66.9 mt . . . . . 0 C--N 1.327 -0.383 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -171.815 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.48 1.061 0 CA-C-O 120.389 0.137 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.8 t 60.38 66.72 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.213 0 CA-C-O 121.756 0.789 . . . . 0.0 109.659 -172.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -126.28 141.84 51.76 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.256 -0.884 . . . . 0.0 109.831 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -74.49 126.12 30.07 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.994 0.426 . . . . 0.0 110.663 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.476 ' O ' HG13 ' A' ' 9' ' ' ILE . 50.1 tptt -67.16 -34.38 77.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.083 -175.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -59.68 -49.32 78.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.664 -0.243 . . . . 0.0 110.847 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.979 ' HG2' HG13 ' A' ' 48' ' ' ILE . 33.1 mtmm -63.26 -30.16 71.35 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 121.167 -0.213 . . . . 0.0 111.35 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -72.26 -31.12 65.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.881 177.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 5' ' ' LYS . 86.4 mt -76.3 -49.24 25.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-O 120.765 0.317 . . . . 0.0 110.194 176.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 88.5 t80 -53.53 -49.11 68.32 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.931 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 13.1 p -65.56 -42.36 91.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.557 -0.292 . . . . 0.0 110.758 179.504 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.56 ' HG3' ' HE2' ' A' ' 72' ' ' LYS . 22.6 tp10 -55.95 -48.71 75.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.945 0.402 . . . . 0.0 110.673 178.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -67.91 -48.0 67.2 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.228 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 53.0 tp -60.01 -48.21 82.66 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.761 -179.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 m-20 -58.48 -32.37 68.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.385 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.445 ' O ' ' HD2' ' A' ' 20' ' ' LYS . 38.4 m -59.18 -48.58 81.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.755 0.312 . . . . 0.0 110.41 177.579 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -69.43 -40.37 77.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.037 -178.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.15 -47.05 94.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.963 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.52 -7.22 50.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.612 -177.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' HD2' ' O ' ' A' ' 16' ' ' SER . 0.6 OUTLIER -90.38 -11.59 40.11 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.11 0.481 . . . . 0.0 110.067 175.301 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.9 t -99.76 159.11 15.3 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.855 -0.612 . . . . 0.0 109.751 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -100.94 4.39 42.53 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.862 0.363 . . . . 0.0 110.456 178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 56.5 mttm -87.95 134.3 33.75 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.617 173.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 35.7 p -71.99 165.27 24.58 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 121.169 0.509 . . . . 0.0 111.794 -176.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -56.52 -36.66 69.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.142 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.14 -29.26 68.11 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.704 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -70.59 -52.85 18.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.807 177.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 51.3 mt -63.68 -36.9 78.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.978 -176.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.85 -40.89 73.51 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.318 -0.401 . . . . 0.0 112.045 -178.543 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 32.9 mttp -70.48 -38.47 74.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.87 0.367 . . . . 0.0 110.764 -177.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m -65.36 -38.14 89.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.818 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.1 mm -72.56 -44.58 60.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.243 178.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.83 37.43 1.55 Allowed Glycine 0 N--CA 1.445 -0.732 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.056 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.3 m -130.89 176.43 8.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.75 0.31 . . . . 0.0 110.452 -179.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.3 m -94.04 152.53 40.51 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.18 177.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 13.0 Cg_endo -56.24 -35.37 95.51 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.901 2.401 . . . . 0.0 112.741 -177.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -67.01 -31.2 71.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.209 178.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 29.8 m -72.66 -39.1 67.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.359 0.6 . . . . 0.0 109.564 178.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -71.23 -34.78 71.09 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.525 -0.761 . . . . 0.0 110.174 179.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -59.46 -42.75 92.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.511 -0.768 . . . . 0.0 111.77 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 20.3 p -70.71 -27.63 64.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.596 0.236 . . . . 0.0 111.178 -177.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.532 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 50.1 m0 -69.72 -45.0 69.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.114 0.483 . . . . 0.0 109.858 175.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 34.9 t -67.59 -27.28 66.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.894 -177.399 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 90.2 mttt -88.72 -0.07 56.96 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.334 177.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.06 34.4 89.82 Favored Glycine 0 C--N 1.329 0.165 0 C-N-CA 121.247 -0.501 . . . . 0.0 113.143 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.1 mt -89.52 -33.63 6.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.018 0.437 . . . . 0.0 110.354 -178.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.55 151.24 33.52 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 -177.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.979 HG13 ' HG2' ' A' ' 7' ' ' LYS . 71.0 mt -107.73 126.99 28.6 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.86 174.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.532 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 29.2 Cg_endo -62.15 166.42 12.72 Favored 'Trans proline' 0 N--CA 1.465 -0.204 0 C-N-CA 123.111 2.541 . . . . 0.0 112.146 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -75.61 170.13 16.75 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.173 178.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 58.2 ttp -53.68 -39.13 64.86 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.853 -174.493 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.9 -29.81 71.52 Favored Glycine 0 CA--C 1.519 0.313 0 C-N-CA 121.09 -0.576 . . . . 0.0 112.833 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.512 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 50.6 mttp -94.38 -33.89 12.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 122.836 -0.214 . . . . 0.0 111.457 -178.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 91.6 t -62.41 -44.12 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.225 0.536 . . . . 0.0 109.818 176.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 46.9 tp60 -64.13 -38.31 90.6 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.385 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.71 -41.27 98.12 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.883 179.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 53' ' ' LYS . 97.3 mt -60.58 -52.03 66.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.53 178.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.68 -37.64 88.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.875 -0.602 . . . . 0.0 111.237 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -65.96 -35.7 81.32 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.874 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 44.5 t80 -74.71 -34.53 62.62 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.244 -178.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -86.23 -5.52 59.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.91 -179.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 59.62 55.53 4.0 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.57 0.7 . . . . 0.0 109.846 -174.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 40.6 pt -138.2 175.99 7.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.758 178.671 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -93.61 147.49 22.96 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -61.37 -29.95 70.23 Favored 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.682 -0.407 . . . . 0.0 110.041 176.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 14.7 m -59.7 -28.08 67.0 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.379 177.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 46.4 m-20 -68.94 -24.42 64.27 Favored 'General case' 0 C--N 1.334 -0.096 0 CA-C-O 120.835 0.35 . . . . 0.0 110.818 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.3 mt -93.62 -23.67 18.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.335 -179.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.4 mm -88.79 -42.23 14.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.641 -175.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -87.3 149.95 24.2 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 120.824 0.345 . . . . 0.0 111.123 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.473 ' OD1' ' HG2' ' A' ' 73' ' ' LYS . 10.5 t70 -67.09 153.69 43.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.783 -174.8 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.56 ' HE2' ' HG3' ' A' ' 12' ' ' GLU . 53.5 mtmt -78.83 41.53 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.146 0.498 . . . . 0.0 111.296 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.473 ' HG2' ' OD1' ' A' ' 71' ' ' ASP . 49.7 mmtm -83.68 46.93 1.21 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.927 176.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.3 mt -70.47 74.6 0.55 Allowed 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.591 -0.732 . . . . 0.0 112.37 -173.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -117.75 105.86 12.43 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 169.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 43.0 mm -57.87 128.29 18.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.353 0.597 . . . . 0.0 111.542 -173.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -140.3 124.65 17.81 Favored 'General case' 0 N--CA 1.442 -0.866 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 178.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 8.6 t -42.89 125.56 3.52 Favored 'General case' 0 C--N 1.317 -0.808 0 O-C-N 124.603 1.19 . . . . 0.0 112.274 -171.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 2.8 p -118.67 88.38 34.7 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 114.705 -1.134 . . . . 0.0 111.056 -174.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.69 120.34 8.18 Favored 'Trans proline' 0 C--O 1.235 0.347 0 C-N-CA 122.391 2.061 . . . . 0.0 111.494 177.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.7 tt -128.49 141.05 47.58 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.993 179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -82.38 67.68 8.51 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.241 0.543 . . . . 0.0 111.0 -176.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.7 p -172.99 178.56 2.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.322 -0.854 . . . . 0.0 109.454 178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -93.75 59.57 2.12 Favored Glycine 0 N--CA 1.447 -0.576 0 C-N-CA 120.905 -0.664 . . . . 0.0 112.049 179.218 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -96.47 149.04 22.18 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.7 t -78.12 137.59 38.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.034 0.445 . . . . 0.0 111.28 -178.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -139.52 147.52 41.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.964 -0.562 . . . . 0.0 109.603 175.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -113.69 162.54 16.13 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 120.999 0.428 . . . . 0.0 111.83 -176.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -134.4 146.85 50.25 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.844 176.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 33.1 m80 -104.23 -71.49 0.73 Allowed 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.004 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 67.99 102.19 0.05 Allowed 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.814 0.697 . . . . 0.0 112.115 -177.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -142.44 132.12 24.01 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.0 172.555 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.9 p-80 -79.07 111.17 15.01 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.319 0.581 . . . . 0.0 110.313 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.2 t-80 . . . . . 0 C--O 1.248 0.977 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.539 -177.521 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.904 ' HG2' HG23 ' A' ' 2' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.073 0 N-CA-C 110.135 -0.32 . . . . 0.0 110.135 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.904 HG23 ' HG2' ' A' ' 1' ' ' MET . 21.1 t 71.83 9.46 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.662 0 CA-C-O 121.669 0.747 . . . . 0.0 110.925 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -91.84 143.79 26.15 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 121.967 -0.458 . . . . 0.0 110.895 178.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -136.04 164.44 28.0 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.743 178.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.448 ' O ' HG13 ' A' ' 9' ' ' ILE . 22.6 tptm -61.95 -47.3 85.48 Favored 'General case' 0 C--N 1.329 -0.297 0 O-C-N 122.983 0.177 . . . . 0.0 111.101 -177.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -56.8 -44.31 81.81 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.248 0.547 . . . . 0.0 110.42 179.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 88.7 mttt -61.9 -40.94 97.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.791 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.79 -47.61 74.53 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.003 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 5' ' ' LYS . 68.2 mt -60.35 -49.11 85.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.839 0.352 . . . . 0.0 110.94 -179.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -59.11 -48.6 81.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.132 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.424 ' HB3' ' CA ' ' A' ' 45' ' ' GLY . 19.9 p -65.76 -42.1 91.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.261 -178.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -57.21 -45.88 83.43 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-O 120.537 0.208 . . . . 0.0 111.373 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.1 m-20 -66.08 -57.8 6.89 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.567 177.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.0 tp -55.21 -46.02 75.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.189 -175.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -64.06 -42.37 97.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.711 -176.284 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 79.8 p -65.9 -35.54 80.92 Favored 'General case' 0 CA--C 1.532 0.266 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.0 m-85 -70.91 -48.95 50.86 Favored 'General case' 0 CA--C 1.519 -0.213 0 CA-C-O 121.115 0.483 . . . . 0.0 109.924 178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 88.7 mt -63.71 -47.17 92.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.273 -178.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.42 -10.18 59.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.847 -177.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.1 ttpp -73.39 -34.38 65.5 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 175.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.0 t -82.08 169.39 16.73 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.207 -0.906 . . . . 0.0 109.741 178.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -100.87 18.46 19.47 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.218 0.532 . . . . 0.0 110.801 -178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.8 tptp -89.75 159.16 17.2 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.582 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.8 p -95.74 153.99 17.45 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.661 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.16 -40.93 82.68 Favored 'General case' 0 CA--C 1.52 -0.188 0 CA-C-O 121.381 0.61 . . . . 0.0 109.587 175.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.717 HD22 ' HE3' ' A' ' 30' ' ' LYS . 0.4 OUTLIER -56.57 -46.09 80.95 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.754 -1.112 . . . . 0.0 111.385 -179.384 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -63.96 -44.8 91.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.035 0.445 . . . . 0.0 110.845 -179.269 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 69.8 mt -67.42 -38.66 81.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.815 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.65 -44.05 93.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.87 178.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.717 ' HE3' HD22 ' A' ' 26' ' ' LEU . 99.8 mttt -60.77 -35.35 76.19 Favored 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.984 178.168 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.7 m -69.18 -31.46 70.1 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.957 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.1 mm -84.36 -44.7 17.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.482 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 124.85 -12.23 7.76 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 121.033 -0.603 . . . . 0.0 111.945 -178.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.1 m -88.78 167.06 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.1 0.476 . . . . 0.0 111.121 -178.472 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.3 m -92.16 149.28 38.35 Favored Pre-proline 0 C--N 1.319 -0.726 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.989 177.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_exo -52.48 -27.97 34.11 Favored 'Trans proline' 0 CA--C 1.532 0.399 0 C-N-CA 122.9 2.4 . . . . 0.0 112.704 176.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -56.77 -48.07 78.7 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 121.193 0.521 . . . . 0.0 110.73 173.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 11.6 m -70.69 -40.77 72.71 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.087 179.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -61.95 -34.92 76.99 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.264 -179.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -61.66 -42.18 98.56 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.49 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 41.4 p -67.55 -22.18 65.42 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.762 -0.375 . . . . 0.0 111.174 -179.337 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.476 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 51.6 m0 -79.39 -45.2 20.0 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.172 0.51 . . . . 0.0 109.848 175.302 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.3 t -67.06 -35.91 80.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.261 -177.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 65.6 mttt -85.92 1.16 51.09 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-N 116.461 -0.336 . . . . 0.0 111.419 178.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.424 ' CA ' ' HB3' ' A' ' 11' ' ' SER . . . 60.86 48.61 85.38 Favored Glycine 0 C--N 1.33 0.249 0 C-N-CA 121.0 -0.619 . . . . 0.0 113.013 179.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.8 mt -104.04 -38.85 5.24 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 121.231 0.539 . . . . 0.0 110.043 178.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -137.79 156.37 48.04 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.303 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.8 mt -123.93 128.71 25.03 Favored Pre-proline 0 C--N 1.325 -0.474 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.351 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.476 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 74.2 Cg_endo -72.61 159.26 49.22 Favored 'Trans proline' 0 C--O 1.234 0.278 0 C-N-CA 123.227 2.618 . . . . 0.0 112.357 179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.428 ' O ' HG23 ' A' ' 54' ' ' VAL . 92.7 mtt180 -96.26 179.5 5.02 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.993 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 96.9 mmm -50.82 -41.15 57.19 Favored 'General case' 0 N--CA 1.469 0.483 0 O-C-N 123.701 0.626 . . . . 0.0 112.622 -171.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.29 -34.52 48.16 Favored Glycine 0 CA--C 1.522 0.509 0 C-N-CA 121.229 -0.51 . . . . 0.0 113.447 -179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -101.01 -27.15 13.44 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 117.1 0.45 . . . . 0.0 111.051 -179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.428 HG23 ' O ' ' A' ' 50' ' ' ARG . 80.5 t -62.47 -39.36 84.1 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.548 177.229 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 28.6 mm-40 -62.98 -32.27 73.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.276 179.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.1 -43.99 66.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.848 0.356 . . . . 0.0 110.485 177.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.21 -45.82 86.58 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.804 178.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.29 -28.6 69.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.445 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -78.69 -38.2 39.8 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.96 0.409 . . . . 0.0 110.468 179.461 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 26.1 t80 -62.94 -36.13 82.4 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.382 -0.826 . . . . 0.0 111.719 -176.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -101.99 -7.42 22.38 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.532 177.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.7 t-20 51.93 71.27 0.47 Allowed 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 121.786 0.803 . . . . 0.0 110.919 -173.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.4 pt -137.16 -179.85 3.16 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.05 -0.977 . . . . 0.0 110.058 -179.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.0 m-80 -95.15 155.39 16.75 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.42 ' O ' HG13 ' A' ' 69' ' ' ILE . 60.1 pttt -60.24 -32.77 71.45 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.92 0.391 . . . . 0.0 110.287 178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 20.0 m -66.73 -26.56 67.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.626 -178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 -62.05 -25.62 67.79 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-O 120.956 0.408 . . . . 0.0 111.418 -177.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.8 mt -94.67 -20.47 19.52 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.268 178.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 65' ' ' LYS . 63.9 mt -97.28 -31.26 3.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -170.509 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -63.54 148.43 48.78 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.65 0.738 . . . . 0.0 112.758 -172.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -82.67 109.68 17.06 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.223 -0.899 . . . . 0.0 109.163 175.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -85.42 14.35 5.56 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.047 0.451 . . . . 0.0 111.108 -173.608 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -101.9 19.48 18.26 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.204 0.526 . . . . 0.0 110.62 179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 77.7 mt -76.36 80.14 3.1 Favored 'General case' 0 N--CA 1.447 -0.598 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.843 175.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 48.0 m-80 -59.81 113.16 2.13 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.574 -178.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.779 HD12 ' H ' ' A' ' 76' ' ' ILE . 4.2 mp -65.24 157.54 5.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 114.791 -1.095 . . . . 0.0 109.433 176.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.4 79.0 0.39 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.596 0.713 . . . . 0.0 111.408 -179.435 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.641 ' O ' ' HD3' ' A' ' 80' ' ' PRO . 3.6 m -108.23 158.4 17.49 Favored 'General case' 0 C--N 1.313 -0.986 0 CA-C-N 114.668 -1.151 . . . . 0.0 109.194 174.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.9 t -106.38 88.54 3.34 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-O 120.596 0.236 . . . . 0.0 110.719 179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.641 ' HD3' ' O ' ' A' ' 78' ' ' THR . 8.1 Cg_exo -71.6 134.84 24.97 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.894 2.396 . . . . 0.0 111.898 -179.276 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 9.2 tt -92.54 133.61 33.28 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.427 179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.67 ' HG2' ' H ' ' A' ' 83' ' ' SER . 16.9 tt0 66.46 -177.25 0.19 Allowed 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 115.214 -0.903 . . . . 0.0 110.077 -178.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.67 ' H ' ' HG2' ' A' ' 82' ' ' GLU . 34.2 m 69.91 -175.12 0.19 Allowed 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 123.016 0.526 . . . . 0.0 111.281 179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -108.8 157.32 15.25 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.304 -179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -112.82 129.16 56.54 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.748 0.309 . . . . 0.0 110.639 -177.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 19.1 p -93.55 119.59 32.79 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.155 179.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 61.8 tp -91.18 107.98 19.57 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.541 178.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -87.91 -178.42 6.01 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 109.94 -0.392 . . . . 0.0 109.94 177.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.5 t60 -141.95 135.88 29.82 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.737 0.304 . . . . 0.0 110.634 -176.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 25.6 m80 -93.33 122.05 35.34 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 176.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 22.0 t-80 -84.19 146.06 28.03 Favored 'General case' 0 C--N 1.322 -0.618 0 C-N-CA 120.716 -0.393 . . . . 0.0 110.805 -177.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -63.2 141.49 58.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.905 176.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.5 m-70 -51.35 -62.24 1.74 Allowed 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.235 0.54 . . . . 0.0 110.473 -178.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.9 t-160 . . . . . 0 C--O 1.247 0.931 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 172.558 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.0 ptm . . . . . 0 N--CA 1.482 1.144 0 CA-C-O 120.923 0.392 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 5.9 p -90.15 106.71 17.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.58 0.705 . . . . 0.0 110.613 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -88.23 -29.88 20.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.515 179.672 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.464 ' CB ' ' HE2' ' A' ' 7' ' ' LYS . 18.2 m-20 -121.92 99.0 6.21 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.35 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -68.04 -50.9 52.47 Favored 'General case' 0 C--N 1.32 -0.691 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.416 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -66.89 -31.9 72.8 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.936 -175.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.566 ' HA ' HD11 ' A' ' 48' ' ' ILE . 35.7 ttpt -71.08 -40.48 71.55 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.694 -179.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.27 -38.9 92.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.804 177.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 73.5 mt -68.3 -49.63 64.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.209 176.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.546 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 80.7 t80 -56.45 -47.37 79.27 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.913 179.721 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 33.1 t -62.21 -49.43 75.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.677 -178.043 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 64.0 tt0 -65.12 -38.61 91.23 Favored 'General case' 0 C--N 1.333 -0.126 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.865 -177.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.437 ' HB3' ' HA ' ' A' ' 68' ' ' LEU . 62.3 m-20 -58.16 -52.98 63.29 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.829 0.347 . . . . 0.0 110.66 177.527 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.42 ' O ' HG13 ' A' ' 18' ' ' ILE . 64.6 tp -64.31 -48.22 76.47 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.871 -179.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 59.5 t30 -63.49 -33.84 76.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.346 -174.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 67.9 m -64.72 -39.44 93.65 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.626 0.25 . . . . 0.0 111.032 178.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.5 m-85 -68.71 -35.75 77.57 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 179.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 14' ' ' LEU . 65.3 mt -65.81 -45.35 91.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.1 0.476 . . . . 0.0 110.453 177.602 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.63 -31.89 71.36 Favored 'General case' 0 C--O 1.234 0.242 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.283 -179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 28.0 ttpp -76.32 -33.96 59.01 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.194 0.521 . . . . 0.0 110.31 179.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 23.0 t -72.29 164.91 25.49 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.419 -0.81 . . . . 0.0 110.399 176.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.2 tt0 -82.31 -31.73 29.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.193 0.52 . . . . 0.0 110.313 178.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.479 ' HA ' ' CE ' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -70.29 148.33 48.64 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.355 -173.9 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.464 ' OG1' ' HG2' ' A' ' 27' ' ' GLU . 51.5 p -89.21 165.99 14.09 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.262 -176.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 40.1 mt-30 -53.19 -40.61 64.53 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.429 174.312 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.54 -42.94 77.71 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 114.836 -1.074 . . . . 0.0 110.753 -176.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' HG2' ' OG1' ' A' ' 24' ' ' THR . 58.5 mm-40 -57.91 -43.86 86.48 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.192 179.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.536 ' O ' HG12 ' A' ' 32' ' ' ILE . 62.7 mt -66.05 -45.07 91.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.715 -179.714 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.81 -41.52 82.34 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.013 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 68.4 mmtt -57.99 -45.6 86.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.432 178.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.3 m -75.67 -30.72 59.49 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.611 -176.173 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.536 HG12 ' O ' ' A' ' 28' ' ' ILE . 48.3 mm -72.28 -44.56 63.51 Favored 'Isoleucine or valine' 0 C--O 1.235 0.334 0 CA-C-O 121.017 0.436 . . . . 0.0 110.145 178.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.41 19.47 7.93 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.565 -0.826 . . . . 0.0 112.136 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.4 m -115.72 159.23 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 120.855 0.36 . . . . 0.0 110.394 -179.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.6 m -75.83 143.18 74.28 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.146 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 12.9 Cg_endo -58.22 -29.58 88.06 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.912 2.408 . . . . 0.0 112.862 -179.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -65.09 -35.01 79.79 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.9 0.381 . . . . 0.0 110.959 177.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.1 m -75.9 -37.57 58.69 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.456 0.646 . . . . 0.0 109.411 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 31.7 t80 -64.74 -35.58 81.53 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.533 -0.758 . . . . 0.0 109.768 176.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -60.19 -44.74 94.83 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.604 -0.725 . . . . 0.0 111.367 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.41 HG22 HD12 ' A' ' 46' ' ' ILE . 11.5 p -64.68 -22.14 66.91 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.767 0.284 . . . . 0.0 111.767 -178.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.566 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 45.1 m0 -76.61 -43.77 37.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.247 0.546 . . . . 0.0 109.608 175.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 43.8 t -67.38 -32.17 72.89 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.444 -0.798 . . . . 0.0 111.402 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -83.86 -0.12 49.9 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.3 179.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 66.48 30.77 77.1 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 121.21 -0.519 . . . . 0.0 112.83 178.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.41 HD12 HG22 ' A' ' 41' ' ' THR . 71.1 mt -89.01 -42.84 14.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-O 120.784 0.326 . . . . 0.0 110.53 -178.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -142.5 153.91 44.05 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.236 -177.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.566 HD11 ' HA ' ' A' ' 7' ' ' LYS . 89.7 mt -108.6 129.09 24.42 Favored Pre-proline 0 C--N 1.327 -0.373 0 CA-C-N 115.903 -0.59 . . . . 0.0 109.567 175.805 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.566 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 41.5 Cg_endo -64.93 159.28 46.91 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.71 2.274 . . . . 0.0 112.099 179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.1 ttm180 -63.22 156.22 26.02 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 177.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 49.2 ttm -50.2 -40.12 46.17 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.43 0.456 . . . . 0.0 112.184 -175.172 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.33 -29.95 70.09 Favored Glycine 0 CA--C 1.52 0.349 0 C-N-CA 121.078 -0.582 . . . . 0.0 113.0 179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.711 ' HE3' ' HA ' ' A' ' 53' ' ' LYS . 0.0 OUTLIER -85.32 -34.87 21.76 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 122.543 -0.387 . . . . 0.0 110.648 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.8 t -60.69 -41.49 88.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.36 0.6 . . . . 0.0 109.76 175.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -61.4 -39.0 89.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.441 -0.799 . . . . 0.0 110.545 177.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.57 -40.94 93.35 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.754 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 93.4 mt -63.04 -51.2 67.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.443 178.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.62 -34.41 76.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.668 179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -65.94 -42.0 90.59 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.291 178.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -64.33 -36.74 85.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.894 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.445 ' HB2' HG12 ' A' ' 63' ' ' ILE . 73.5 m-85 -84.79 -12.36 53.81 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.505 177.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.3 t30 62.32 34.27 15.91 Favored 'General case' 0 CA--C 1.53 0.21 0 CA-C-O 121.728 0.775 . . . . 0.0 110.059 -177.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.445 HG12 ' HB2' ' A' ' 61' ' ' PHE . 41.5 pt -111.97 -173.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.054 -179.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.9 m-80 -92.62 146.47 23.64 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 175.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.2 pttm -68.38 -29.53 68.25 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 176.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.64 ' O ' ' HG3' ' A' ' 70' ' ' GLU . 51.0 m -59.63 -32.12 70.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.495 -0.775 . . . . 0.0 111.537 177.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -61.16 -24.46 66.31 Favored 'General case' 0 N--CA 1.468 0.432 0 CA-C-O 120.985 0.421 . . . . 0.0 111.307 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.546 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 70.8 mt -90.88 -21.16 21.56 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.323 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 71.1 mt -91.03 -49.33 13.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.953 -173.573 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.64 ' HG3' ' O ' ' A' ' 66' ' ' SER . 1.4 pp20? -75.53 151.79 37.89 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-O 121.403 0.62 . . . . 0.0 112.075 -173.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -69.99 132.68 46.29 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.373 -178.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.434 ' HZ3' ' HB2' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -99.51 6.71 45.81 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.916 -172.53 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -88.88 31.08 0.87 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.644 0.735 . . . . 0.0 110.315 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 65.1 mt -78.23 72.8 4.78 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.961 178.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 34.2 t-20 -154.52 144.76 22.0 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.161 -1.052 . . . . 0.0 108.161 176.27 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.9 mm -65.14 130.55 30.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 121.454 0.645 . . . . 0.0 112.214 -171.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -166.35 112.76 0.85 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 114.7 -1.136 . . . . 0.0 108.672 176.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.9 t -76.26 140.37 41.54 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 51.0 t -126.66 87.57 56.19 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.186 -175.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 25.7 Cg_exo -63.07 109.01 0.85 Allowed 'Trans proline' 0 C--O 1.236 0.382 0 C-N-CA 122.448 2.099 . . . . 0.0 110.831 173.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.616 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.0 mp -77.85 131.83 33.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.765 -175.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -86.72 87.51 7.47 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 174.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 26.1 t -77.13 122.67 25.32 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.699 -175.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -106.07 -77.97 1.14 Allowed Glycine 0 N--CA 1.446 -0.682 0 CA-C-N 115.637 -0.71 . . . . 0.0 111.808 176.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -153.08 155.18 36.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.853 0.359 . . . . 0.0 110.815 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.8 p -112.45 115.87 29.38 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.835 -0.621 . . . . 0.0 110.682 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 88.9 mt -88.54 134.23 33.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.146 0.498 . . . . 0.0 111.471 -176.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.427 ' H ' ' HG2' ' A' ' 88' ' ' GLU . 7.1 pt-20 -70.35 138.33 51.33 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.555 -0.748 . . . . 0.0 109.961 175.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 51.9 m-70 -97.19 84.81 3.56 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 111.855 0.317 . . . . 0.0 111.855 -169.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.5 t60 54.97 88.49 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 O-C-N 123.529 0.518 . . . . 0.0 112.052 168.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -91.57 -36.02 13.93 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -172.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 2.5 m170 61.33 -87.51 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -169.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -144.01 22.44 1.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.046 0.45 . . . . 0.0 111.181 172.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.406 ' O ' ' ND1' ' A' ' 94' ' ' HIS . 6.5 p80 . . . . . 0 C--O 1.248 0.995 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.315 168.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 1.0 0 CA-C-O 121.297 0.57 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.4 m -112.59 129.9 67.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.475 178.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 35.5 tptt -103.56 -17.57 15.12 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.163 -175.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -149.65 147.13 27.73 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.707 -175.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.474 ' O ' HG13 ' A' ' 9' ' ' ILE . 43.3 mtpt -60.21 -43.4 96.01 Favored 'General case' 0 C--O 1.222 -0.355 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 -177.473 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -62.87 -35.58 80.45 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.857 0.361 . . . . 0.0 110.622 -176.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.41 ' HE2' ' O ' ' A' ' 45' ' ' GLY . 51.6 mtpt -71.43 -34.94 70.74 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.011 0.434 . . . . 0.0 110.471 178.451 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.09 -43.04 55.32 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.327 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 5' ' ' LYS . 76.2 mt -61.71 -42.17 93.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.323 178.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 69.4 t80 -59.95 -48.61 80.99 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.852 0.358 . . . . 0.0 111.096 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.3 p -67.92 -38.52 83.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.06 -177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -66.14 -42.33 89.24 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 110.34 -0.244 . . . . 0.0 110.34 176.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.481 ' OD1' ' HE3' ' A' ' 72' ' ' LYS . 75.1 m-20 -58.98 -50.15 75.17 Favored 'General case' 0 CA--C 1.516 -0.363 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.527 175.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 35.6 tp -55.53 -46.72 77.04 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.148 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -58.75 -36.79 74.9 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.57 178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 13.8 m -55.33 -52.35 63.77 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-O 121.095 0.474 . . . . 0.0 110.997 -178.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 32.7 m-85 -76.34 -31.98 58.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.008 -172.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.433 HG21 ' HG2' ' A' ' 25' ' ' GLN . 80.9 mt -73.31 -45.07 53.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.836 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.63 -22.14 61.74 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.892 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -80.03 -39.91 28.87 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.789 -0.449 . . . . 0.0 109.789 176.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.9 m -73.72 173.58 9.61 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.982 178.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -103.33 -21.73 13.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.755 -174.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.65 ' HE2' ' HG3' ' A' ' 27' ' ' GLU . 8.1 tptm -78.14 145.23 35.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.518 -174.243 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.442 ' O ' HG13 ' A' ' 28' ' ' ILE . 29.1 p -74.21 157.72 35.38 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.639 -176.221 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.495 HE21 ' HE1' ' A' ' 39' ' ' PHE . 53.3 mt-30 -63.46 -36.98 85.55 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.876 177.421 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.41 -46.98 85.37 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.362 175.603 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.65 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 6.5 mm-40 -59.76 -45.18 93.03 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.154 178.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.63 ' O ' HG12 ' A' ' 32' ' ' ILE . 72.3 mt -60.13 -52.2 64.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.526 178.439 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.6 -38.86 78.89 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.549 -177.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -62.56 -44.73 95.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.475 -0.329 . . . . 0.0 110.974 179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 61.7 m -75.63 -21.32 57.84 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.271 -179.012 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.63 HG12 ' O ' ' A' ' 28' ' ' ILE . 39.8 mm -72.87 -44.01 58.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-O 121.217 0.532 . . . . 0.0 109.671 172.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 113.83 31.42 2.31 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.031 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 24.3 m -136.59 176.01 8.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.887 0.375 . . . . 0.0 110.518 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 20.2 m -89.83 150.44 43.87 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.892 174.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -57.99 -24.39 65.07 Favored 'Trans proline' 0 CA--C 1.531 0.366 0 C-N-CA 122.761 2.307 . . . . 0.0 111.95 177.569 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -56.64 -48.52 77.35 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.146 -0.479 . . . . 0.0 109.78 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 3.1 m -70.03 -31.62 69.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.633 0.73 . . . . 0.0 110.033 -177.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.495 ' HE1' HE21 ' A' ' 25' ' ' GLN . 32.1 t80 -69.83 -35.81 75.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.105 179.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -69.33 -38.47 78.2 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.853 -178.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.501 HG22 HD12 ' A' ' 46' ' ' ILE . 3.3 p -65.54 -24.43 67.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.959 0.409 . . . . 0.0 110.977 177.427 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.485 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 53.8 m0 -77.38 -41.86 38.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.312 0.577 . . . . 0.0 109.831 173.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 14.9 t -65.24 -29.18 69.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.44 -0.8 . . . . 0.0 111.065 -177.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 22.3 mmtm -89.12 3.61 51.26 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.878 177.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.41 ' O ' ' HE2' ' A' ' 7' ' ' LYS . . . 62.5 29.46 73.54 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.967 -0.635 . . . . 0.0 112.842 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.501 HD12 HG22 ' A' ' 41' ' ' THR . 71.9 mt -76.26 -41.81 36.85 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 121.235 0.54 . . . . 0.0 109.649 179.262 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.02 137.62 26.17 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.295 178.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 99.2 mt -92.81 120.74 67.01 Favored Pre-proline 0 C--N 1.322 -0.609 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 174.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.485 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 30.0 Cg_endo -60.08 150.28 79.89 Favored 'Trans proline' 0 N--CA 1.462 -0.356 0 C-N-CA 122.888 2.392 . . . . 0.0 111.898 -177.263 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 18.6 mtp180 -66.49 161.88 21.89 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.187 -177.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 4.9 ppp? -57.22 -29.47 63.77 Favored 'General case' 0 N--CA 1.465 0.314 0 N-CA-C 111.974 0.361 . . . . 0.0 111.974 -171.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -67.98 -28.21 73.47 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.356 178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.1 tptt -87.02 -32.81 19.82 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.841 0.353 . . . . 0.0 110.187 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 60.1 t -62.42 -36.22 73.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.112 176.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 27.2 mm-40 -57.59 -43.12 84.37 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.179 177.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.68 -45.02 92.0 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.732 179.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.5 mt -62.63 -49.46 75.08 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.048 -0.523 . . . . 0.0 110.896 179.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.58 -38.2 89.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.202 -178.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -68.95 -39.79 79.33 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.623 -178.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -58.46 -43.47 88.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.715 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 81.5 m-85 -87.83 -12.16 45.76 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.152 -178.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 9.3 t30 63.48 49.95 2.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.989 0.9 . . . . 0.0 109.541 -174.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 37.7 pt -126.46 -176.46 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.669 177.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 38.6 t30 -100.85 156.63 17.26 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 -179.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -62.49 -29.77 70.79 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.912 0.387 . . . . 0.0 110.436 178.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.4 p -68.95 -29.85 68.17 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.845 -179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -64.51 -24.05 67.48 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.13 -176.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -93.72 -30.8 14.7 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.222 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 43.8 mm -89.93 -49.24 13.94 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 N-CA-C 112.278 0.473 . . . . 0.0 112.278 -171.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -73.6 159.74 32.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.431 0.634 . . . . 0.0 112.61 -170.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 46.0 t0 -71.04 144.46 50.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.791 -177.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.481 ' HE3' ' OD1' ' A' ' 13' ' ' ASN . 31.8 ttmt -98.59 12.93 33.74 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.572 0.701 . . . . 0.0 110.537 -173.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.568 ' O ' ' HD3' ' A' ' 73' ' ' LYS . 15.0 tmtt? -84.45 4.78 30.06 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.72 0.772 . . . . 0.0 110.05 177.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.5 mt -78.5 12.95 1.75 Allowed 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.157 -0.928 . . . . 0.0 111.682 -177.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 70.68 91.29 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.55 179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.0 mp -114.75 137.79 47.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.028 176.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -83.2 88.6 6.91 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.622 0.725 . . . . 0.0 110.391 -175.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 6.7 t -123.13 170.15 10.5 Favored 'General case' 0 C--N 1.314 -0.944 0 CA-C-N 115.042 -0.981 . . . . 0.0 110.059 176.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.3 t -114.9 86.71 13.77 Favored Pre-proline 0 C--N 1.327 -0.379 0 CA-C-O 120.755 0.312 . . . . 0.0 110.931 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -96.96 178.96 0.46 Allowed 'Trans proline' 0 N--CA 1.453 -0.888 0 C-N-CA 123.156 2.571 . . . . 0.0 113.065 -179.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.4 tt -132.1 136.5 56.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.292 -0.413 . . . . 0.0 109.961 176.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -107.88 120.21 41.65 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.861 -177.364 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.9 m -77.21 152.34 34.8 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.333 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -111.79 -53.54 0.52 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.265 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 37.3 p90 -159.76 173.4 16.07 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 110.178 -0.304 . . . . 0.0 110.178 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 10.7 m -124.4 134.04 53.23 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 109.509 -0.552 . . . . 0.0 109.509 177.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.524 ' O ' HD12 ' A' ' 87' ' ' LEU . 2.4 pp -113.26 118.44 34.65 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.604 0.716 . . . . 0.0 111.836 -174.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 55.9 mt-10 -142.7 -174.04 4.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.508 173.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 23.8 p-80 43.89 78.69 0.05 Allowed 'General case' 0 N--CA 1.466 0.332 0 O-C-N 124.14 0.9 . . . . 0.0 111.739 178.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.412 ' CD2' ' H ' ' A' ' 90' ' ' HIS . 4.8 p80 -88.94 99.22 12.24 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.124 -179.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -87.98 132.95 34.06 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.45 -0.795 . . . . 0.0 110.193 -175.515 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -115.14 98.66 6.91 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.864 0.364 . . . . 0.0 110.15 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 16.5 t-80 -143.16 83.15 1.78 Allowed 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.0 t60 . . . . . 0 C--O 1.246 0.908 0 CA-C-O 118.427 -0.797 . . . . 0.0 109.073 -178.486 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.6 p -101.22 135.73 36.26 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.118 0.485 . . . . 0.0 111.23 -176.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.7 mttm -138.21 -76.75 0.38 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.153 175.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -83.5 118.58 23.87 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.207 -177.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.407 ' HA ' ' HD3' ' A' ' 5' ' ' LYS . 70.7 mmtt -69.37 -29.74 67.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.279 -177.252 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 56.4 tp60 -71.37 -36.77 71.57 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -178.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.537 ' HA ' HD11 ' A' ' 48' ' ' ILE . 63.8 mttp -58.89 -39.02 80.2 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.119 173.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.87 -42.32 90.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.726 178.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.3 mt -60.57 -50.02 82.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.562 177.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 39.6 t80 -60.4 -53.98 51.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.944 -179.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.484 ' HB3' ' HA2' ' A' ' 45' ' ' GLY . 30.8 p -63.61 -44.48 93.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.722 -175.331 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -60.79 -47.22 87.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.649 0.261 . . . . 0.0 110.824 -177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.43 -47.24 82.73 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.573 179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.475 ' O ' HG13 ' A' ' 18' ' ' ILE . 54.5 tp -63.19 -47.41 82.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.795 -179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -56.62 -40.89 76.17 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.642 -179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 23.3 t -59.37 -47.63 84.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.425 179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -63.93 -46.53 84.32 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.65 179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.475 HG13 ' O ' ' A' ' 14' ' ' LEU . 84.2 mt -54.36 -51.69 46.29 Favored 'Isoleucine or valine' 0 C--O 1.235 0.313 0 CA-C-O 120.905 0.383 . . . . 0.0 111.26 -178.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.93 -40.95 87.75 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.27 -177.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 1.031 ' HE2' ' HA ' ' A' ' 20' ' ' LYS . 1.9 mmpt? -76.74 -19.32 57.78 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.49 0.552 . . . . 0.0 112.49 -176.226 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 50.6 m -83.42 -13.62 54.42 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-O 120.647 0.26 . . . . 0.0 110.493 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 57.58 47.29 16.25 Favored 'General case' 0 C--O 1.234 0.272 0 CA-C-O 121.842 0.83 . . . . 0.0 109.854 -178.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -126.01 138.91 53.77 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.132 -0.94 . . . . 0.0 109.27 179.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.444 ' OG1' ' HB2' ' A' ' 27' ' ' GLU . 34.5 p -71.55 150.71 44.5 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.03 -177.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.445 ' NE2' ' H ' ' A' ' 25' ' ' GLN . 2.1 mp0 -54.4 -38.12 65.85 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.414 177.65 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.534 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -63.72 -47.18 82.13 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.768 -179.706 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.444 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 0.6 OUTLIER -58.75 -46.23 87.92 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.031 0.443 . . . . 0.0 111.079 -178.174 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 45.3 mt -66.21 -39.33 84.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.246 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.65 -38.89 82.65 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.103 178.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.534 ' HG3' ' O ' ' A' ' 26' ' ' LEU . 29.0 mtpp -60.58 -40.9 93.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.102 0.477 . . . . 0.0 110.832 177.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.0 m -70.31 -23.29 62.82 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.606 -0.725 . . . . 0.0 110.995 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.4 HD11 ' CD2' ' A' ' 57' ' ' LEU . 69.1 mt -87.71 -44.58 15.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-O 121.403 0.62 . . . . 0.0 110.253 177.197 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 108.66 20.48 8.08 Favored Glycine 0 N--CA 1.446 -0.672 0 CA-C-N 115.475 -0.784 . . . . 0.0 111.534 -176.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.1 m -111.77 173.82 2.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 120.954 0.407 . . . . 0.0 110.79 -177.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.7 m -93.74 144.43 28.17 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.475 177.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -53.1 -32.47 59.19 Favored 'Trans proline' 0 C--N 1.347 0.463 0 C-N-CA 123.128 2.552 . . . . 0.0 113.073 -179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 43.2 tt0 -61.17 -40.11 92.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.15 0.5 . . . . 0.0 110.607 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.5 m -73.55 -39.02 65.04 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.738 -178.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 30.7 t80 -64.84 -34.88 79.42 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.103 178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.9 t30 -63.51 -41.35 98.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.846 -179.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 11.3 p -67.68 -22.31 65.3 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-O 120.757 0.313 . . . . 0.0 111.671 179.675 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.615 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 50.6 m0 -75.72 -41.26 53.95 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.175 0.512 . . . . 0.0 109.976 174.269 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 35.2 t -66.25 -29.25 69.45 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.385 -0.825 . . . . 0.0 110.759 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -83.2 -6.41 59.47 Favored 'General case' 0 N--CA 1.451 -0.414 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.099 178.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.484 ' HA2' ' HB3' ' A' ' 11' ' ' SER . . . 70.07 23.93 76.84 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.883 -178.601 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 71.9 mt -81.26 -44.21 20.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-O 121.182 0.515 . . . . 0.0 110.292 -178.144 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -133.97 153.2 51.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.05 -177.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.537 HD11 ' HA ' ' A' ' 7' ' ' LYS . 93.9 mt -111.79 126.92 27.64 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.745 176.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.615 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 56.4 Cg_endo -68.98 152.28 73.32 Favored 'Trans proline' 0 N--CA 1.459 -0.527 0 C-N-CA 122.612 2.208 . . . . 0.0 111.456 176.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.411 ' O ' HG23 ' A' ' 54' ' ' VAL . 2.9 ttm180 -75.32 167.01 22.73 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 -179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.8 ptp -54.34 -26.51 30.15 Favored 'General case' 0 N--CA 1.471 0.601 0 N-CA-C 112.958 0.725 . . . . 0.0 112.958 -172.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.17 -41.6 99.71 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.892 -0.67 . . . . 0.0 112.108 179.419 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -88.25 -21.21 24.61 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 122.797 -0.237 . . . . 0.0 111.056 -179.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.436 HG21 HD11 ' A' ' 69' ' ' ILE . 98.3 t -64.75 -42.82 96.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.033 0.444 . . . . 0.0 110.337 175.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 50.5 tp60 -61.32 -36.52 80.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.707 178.073 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.43 -35.52 81.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.002 0.43 . . . . 0.0 110.818 179.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.464 HD22 HD11 ' A' ' 14' ' ' LEU . 66.9 mt -67.76 -51.86 44.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.355 174.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.15 -41.26 92.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.857 -0.61 . . . . 0.0 111.47 -177.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -67.7 -34.59 77.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.996 0.427 . . . . 0.0 110.677 -177.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 77.7 t80 -70.6 -41.9 71.68 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.02 0.438 . . . . 0.0 110.763 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.504 ' HB2' HG12 ' A' ' 63' ' ' ILE . 60.3 m-85 -86.98 -5.53 59.05 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.899 -175.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.4 t-20 66.95 14.8 9.98 Favored 'General case' 0 N--CA 1.465 0.322 0 CA-C-O 121.67 0.748 . . . . 0.0 110.443 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.504 HG12 ' HB2' ' A' ' 61' ' ' PHE . 40.3 pt -91.93 -173.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.016 179.818 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 91.0 m-20 -101.6 153.41 19.77 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 120.991 0.424 . . . . 0.0 110.518 179.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 43.4 pttt -62.43 -30.71 71.43 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.996 -179.173 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -66.04 -32.61 74.19 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.776 -0.647 . . . . 0.0 112.054 -176.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -53.85 -35.0 61.03 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -175.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.0 mt -93.78 -30.02 15.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.515 -0.311 . . . . 0.0 111.701 -177.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.436 HD11 HG21 ' A' ' 54' ' ' VAL . 47.6 mm -93.6 -19.42 6.67 Favored 'Isoleucine or valine' 0 C--O 1.238 0.459 0 N-CA-C 112.222 0.453 . . . . 0.0 112.222 -171.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -63.88 170.45 3.45 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 121.821 0.82 . . . . 0.0 112.696 -173.202 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -134.02 163.56 29.29 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 114.36 -1.291 . . . . 0.0 108.409 -177.088 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.9 tttm -85.83 -2.15 57.95 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.132 0.491 . . . . 0.0 110.344 -177.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt -84.52 10.36 11.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.941 175.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 74.3 mt -88.88 84.19 6.65 Favored 'General case' 0 N--CA 1.447 -0.614 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.954 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 70.49 118.48 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 114.448 -1.251 . . . . 0.0 110.065 -176.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.589 HD12 ' H ' ' A' ' 76' ' ' ILE . 4.0 mp -71.32 137.11 24.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.712 -174.775 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -78.65 77.32 5.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.282 0.563 . . . . 0.0 109.93 177.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.603 ' O ' ' HD3' ' A' ' 80' ' ' PRO . 15.3 t -126.33 -172.52 2.64 Favored 'General case' 0 C--N 1.315 -0.905 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.082 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.5 p -107.36 88.11 3.78 Favored Pre-proline 0 CA--C 1.538 0.494 0 CA-C-O 121.481 0.658 . . . . 0.0 110.593 179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.603 ' HD3' ' O ' ' A' ' 78' ' ' THR . 17.1 Cg_exo -66.64 107.14 1.2 Allowed 'Trans proline' 0 C--O 1.236 0.423 0 C-N-CA 123.049 2.499 . . . . 0.0 112.789 -175.236 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 5.8 tt -88.28 123.29 40.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.156 174.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -144.26 122.53 12.27 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-N 115.223 -0.898 . . . . 0.0 110.49 -176.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.9 p -80.63 113.2 18.65 Favored 'General case' 0 C--N 1.32 -0.676 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 171.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.42 -6.3 86.44 Favored Glycine 0 N--CA 1.45 -0.421 0 C-N-CA 120.942 -0.647 . . . . 0.0 113.576 -173.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 55.1 m-85 59.48 -162.24 0.25 Allowed 'General case' 0 C--O 1.233 0.22 0 CA-C-O 120.903 0.382 . . . . 0.0 110.03 -179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 1.9 m -85.27 12.25 8.46 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 121.346 0.593 . . . . 0.0 109.591 173.491 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 97.3 mt 64.17 -161.03 0.29 Allowed 'General case' 0 C--O 1.233 0.23 0 CA-C-N 115.109 -0.951 . . . . 0.0 109.991 -176.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -77.0 -35.13 57.35 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.625 0.25 . . . . 0.0 110.34 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.4 t-80 59.4 26.54 15.46 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-O 121.751 0.786 . . . . 0.0 109.6 -179.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 45.8 t-80 -96.24 109.24 21.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.14 -0.937 . . . . 0.0 110.695 -174.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 11.2 p-80 -133.34 147.16 51.83 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.942 -0.572 . . . . 0.0 109.759 177.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 6.6 p-80 -105.45 137.41 43.31 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.996 0.427 . . . . 0.0 111.265 -178.359 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 9.6 t-160 -78.73 -17.96 55.02 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.293 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.9 m80 . . . . . 0 C--O 1.25 1.109 0 CA-C-O 118.381 -0.819 . . . . 0.0 109.833 175.042 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptt? . . . . . 0 N--CA 1.482 1.148 0 CA-C-O 120.454 0.169 . . . . 0.0 111.081 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 13.9 p -110.7 -26.28 3.23 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 120.946 0.403 . . . . 0.0 111.002 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -107.16 126.83 52.89 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.067 -0.346 . . . . 0.0 110.067 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.465 ' CB ' ' HD3' ' A' ' 7' ' ' LYS . 23.8 m-20 -60.23 114.15 2.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.403 -175.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.514 ' O ' HG13 ' A' ' 9' ' ' ILE . 21.7 mttm -69.92 -37.53 75.96 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.59 179.058 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -63.06 -43.4 98.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.003 0.43 . . . . 0.0 110.169 -179.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.549 ' HA ' HD11 ' A' ' 48' ' ' ILE . 42.5 mtpt -63.21 -36.92 85.25 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.742 175.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.94 -38.38 86.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.054 178.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.514 HG13 ' O ' ' A' ' 5' ' ' LYS . 83.8 mt -62.64 -51.43 72.18 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.732 178.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.416 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 87.6 t80 -55.1 -49.7 71.05 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.03 179.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.494 ' OG ' ' HA2' ' A' ' 45' ' ' GLY . 55.3 m -63.45 -43.65 96.77 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.492 -179.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -59.49 -47.08 86.88 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 120.807 0.336 . . . . 0.0 110.684 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.5 m-20 -60.73 -55.09 37.29 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.595 179.246 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.453 ' O ' HG13 ' A' ' 18' ' ' ILE . 59.4 tp -58.73 -47.51 84.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.203 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.557 ' HA ' HD12 ' A' ' 18' ' ' ILE . 60.5 t30 -61.92 -33.11 73.66 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.176 -175.402 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 55.5 m -65.6 -42.22 91.88 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.771 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -67.91 -34.57 76.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.775 0.321 . . . . 0.0 110.405 178.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.557 HD12 ' HA ' ' A' ' 15' ' ' ASN . 92.3 mt -63.0 -48.61 87.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.886 178.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.2 -42.63 88.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.008 0.433 . . . . 0.0 111.337 -178.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -78.28 -5.52 52.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.259 -0.428 . . . . 0.0 112.149 -176.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.8 t -76.91 -15.76 59.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.594 175.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 73.51 -37.71 0.39 Allowed 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.714 0.805 . . . . 0.0 111.54 -178.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.565 ' HE3' ' N ' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -66.58 157.74 31.6 Favored 'General case' 0 N--CA 1.448 -0.534 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 174.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 3.4 p -86.06 159.2 19.63 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-O 121.364 0.602 . . . . 0.0 112.338 -171.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.538 ' HG2' HG21 ' A' ' 18' ' ' ILE . 51.8 mt-30 -57.2 -37.65 72.52 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 114.982 -1.008 . . . . 0.0 110.6 -179.684 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.426 ' HG ' ' HB3' ' A' ' 36' ' ' PRO . 0.5 OUTLIER -64.56 -40.07 94.9 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.701 179.213 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -61.58 -40.36 94.49 Favored 'General case' 0 C--O 1.235 0.32 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.179 179.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.549 HD12 HG23 ' A' ' 18' ' ' ILE . 62.4 mt -72.73 -42.07 61.98 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 CA-C-N 116.238 -0.437 . . . . 0.0 109.966 177.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.52 -46.58 86.46 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.806 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -26.24 67.01 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.771 0.32 . . . . 0.0 111.118 -178.644 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.5 m -77.46 -36.23 53.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.385 178.624 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.502 HG12 ' O ' ' A' ' 28' ' ' ILE . 47.5 mm -68.3 -44.1 84.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.88 175.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.93 29.13 3.91 Favored Glycine 0 N--CA 1.448 -0.562 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.28 178.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.6 m -127.29 161.87 33.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 -179.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 7.8 p -72.12 145.46 88.63 Favored Pre-proline 0 C--N 1.321 -0.646 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.639 179.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.426 ' HB3' ' HG ' ' A' ' 26' ' ' LEU . 10.8 Cg_endo -54.88 -35.59 89.36 Favored 'Trans proline' 0 C--N 1.344 0.337 0 C-N-CA 123.007 2.472 . . . . 0.0 113.47 -176.16 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 53.2 mt-30 -75.55 -24.69 56.72 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.995 0.368 . . . . 0.0 111.995 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 68.9 m -74.85 -32.89 62.03 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 121.738 0.78 . . . . 0.0 109.191 175.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 34.2 t80 -71.32 -34.61 70.73 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 114.976 -1.011 . . . . 0.0 109.034 172.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 -68.38 -38.51 81.42 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.302 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.512 HG22 HD12 ' A' ' 46' ' ' ILE . 1.1 p -64.71 -25.04 67.76 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.7 0.285 . . . . 0.0 111.243 178.252 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.523 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 51.6 m0 -74.6 -38.66 62.55 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.937 -0.394 . . . . 0.0 109.937 173.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.8 t -66.06 -27.98 68.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.647 177.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 64.7 mmtt -84.3 -5.13 59.23 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.402 177.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.494 ' HA2' ' OG ' ' A' ' 11' ' ' SER . . . 66.16 32.11 81.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.729 -179.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.512 HD12 HG22 ' A' ' 41' ' ' THR . 64.4 mt -85.87 -31.99 6.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.971 0.415 . . . . 0.0 110.827 -178.592 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.51 148.61 25.83 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.502 -178.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.549 HD11 ' HA ' ' A' ' 7' ' ' LYS . 80.3 mt -101.2 130.57 24.65 Favored Pre-proline 0 C--N 1.322 -0.601 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.344 172.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.56 ' HB2' ' HB3' ' A' ' 53' ' ' LYS . 46.5 Cg_endo -67.0 162.0 40.05 Favored 'Trans proline' 0 C--O 1.235 0.341 0 C-N-CA 122.617 2.211 . . . . 0.0 111.668 177.334 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 16.5 ttt85 -82.83 167.13 18.38 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 -177.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.5 ptp -50.52 -36.92 36.36 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 113.051 0.759 . . . . 0.0 113.051 -170.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -65.33 -35.37 91.4 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.45 -178.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.56 ' HB3' ' HB2' ' A' ' 49' ' ' PRO . 1.0 OUTLIER -85.49 -32.86 22.0 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.815 0.34 . . . . 0.0 110.161 -178.818 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.445 HG22 ' HG2' ' A' ' 49' ' ' PRO . 84.9 t -62.78 -39.5 85.11 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.359 177.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.9 tp60 -59.69 -37.77 79.71 Favored 'General case' 0 C--O 1.224 -0.251 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.571 178.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.74 -42.17 91.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.829 0.347 . . . . 0.0 110.687 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 87.9 mt -63.23 -50.34 70.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.708 177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.08 -25.87 66.44 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.391 -178.65 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -76.2 -41.59 48.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.739 0.304 . . . . 0.0 110.508 -179.04 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 88.7 t80 -56.88 -44.77 82.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.775 179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -87.6 -6.0 58.49 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.274 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 56.6 t30 51.3 65.8 1.38 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.947 -176.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.5 pt -135.34 177.15 7.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.116 178.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -94.67 156.06 16.58 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 177.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 66' ' ' SER . 0.0 OUTLIER -58.29 -30.15 66.4 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.833 0.349 . . . . 0.0 111.162 -179.771 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.414 ' N ' ' HD2' ' A' ' 65' ' ' LYS . 18.5 m -66.33 -18.29 65.27 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.869 -178.321 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -73.15 -34.01 65.82 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 121.116 0.484 . . . . 0.0 110.576 176.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.416 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 90.4 mt -94.14 -43.44 8.48 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.449 -177.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.402 HD13 ' CD1' ' A' ' 10' ' ' PHE . 36.1 mm -78.15 -50.56 19.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.399 -174.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -91.2 159.81 15.87 Favored 'General case' 0 N--CA 1.443 -0.79 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.036 -174.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.4 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 17.4 t70 -80.6 133.81 35.82 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 174.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.8 mmtp -83.53 33.63 0.47 Allowed 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 113.244 0.831 . . . . 0.0 113.244 -171.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.405 ' HG2' ' O ' ' A' ' 73' ' ' LYS . 62.4 tttp -84.82 5.17 29.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 122.268 1.033 . . . . 0.0 108.777 168.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 71' ' ' ASP . 94.5 mt -76.16 87.24 3.02 Favored 'General case' 0 N--CA 1.44 -0.932 0 CA-C-N 114.347 -1.297 . . . . 0.0 111.632 -174.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -74.43 100.22 3.76 Favored 'General case' 0 C--N 1.316 -0.862 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 165.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 40.4 mm -56.74 117.99 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.764 -168.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -99.4 82.96 2.74 Favored 'General case' 0 C--N 1.319 -0.746 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.521 178.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 9.5 t -64.74 149.39 49.29 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.193 -0.912 . . . . 0.0 110.551 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 40.9 t -108.67 90.47 7.44 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.825 -176.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -66.7 -164.74 0.09 OUTLIER 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.78 2.32 . . . . 0.0 111.849 178.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 45.3 mt -53.18 120.9 1.94 Allowed 'Isoleucine or valine' 0 C--O 1.236 0.364 0 CA-C-O 121.3 0.571 . . . . 0.0 110.427 177.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -76.83 -175.32 3.41 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.047 -0.979 . . . . 0.0 110.588 -175.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.6 m -65.33 151.47 46.16 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.905 -0.589 . . . . 0.0 109.84 175.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.484 ' O ' HD22 ' A' ' 87' ' ' LEU . . . -53.69 -68.67 1.52 Allowed Glycine 0 CA--C 1.519 0.31 0 O-C-N 123.49 0.494 . . . . 0.0 113.139 -177.406 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 1.1 t80 61.08 -164.41 0.24 Allowed 'General case' 0 C--O 1.236 0.36 0 CA-C-O 120.794 0.33 . . . . 0.0 110.425 178.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 3.6 m -99.05 103.38 15.31 Favored 'General case' 0 C--N 1.321 -0.644 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 172.601 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.484 HD22 ' O ' ' A' ' 84' ' ' GLY . 2.0 pt? -134.66 177.77 7.53 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.889 0.376 . . . . 0.0 110.96 -174.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -138.72 149.21 44.83 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.696 -176.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 58.8 m80 -129.67 175.22 8.99 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.541 178.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 23.6 m170 70.43 -68.85 0.19 Allowed 'General case' 0 N--CA 1.465 0.291 0 O-C-N 123.981 0.801 . . . . 0.0 111.83 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 41.3 t-80 53.95 59.33 4.33 Favored 'General case' 0 C--N 1.331 -0.206 0 N-CA-C 109.486 -0.561 . . . . 0.0 109.486 -174.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 65.87 78.77 0.26 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.275 -175.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -151.19 104.69 3.14 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.055 178.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 23.5 m170 . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.489 -0.767 . . . . 0.0 110.373 179.234 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.458 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.084 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.4 ' HB ' ' O ' ' A' ' 1' ' ' MET . 92.0 t 75.71 117.37 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.287 0 O-C-N 123.653 0.596 . . . . 0.0 110.62 179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.9 tmtt? -93.86 74.04 4.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.586 -0.734 . . . . 0.0 109.546 -176.577 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -124.37 6.36 8.37 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.264 -174.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -57.16 -50.06 74.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.795 0.331 . . . . 0.0 110.86 -178.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 27.6 tp60 -65.25 -32.52 74.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.555 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -63.5 -47.47 81.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.253 178.427 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.91 -49.04 79.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.84 179.392 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 77.8 mt -57.23 -51.01 74.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.844 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.3 t80 -58.81 -54.99 40.91 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.416 -178.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.1 p -64.83 -41.67 95.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.499 -175.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -63.63 -47.08 82.81 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.864 0.364 . . . . 0.0 110.965 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.728 HD21 ' HA ' ' A' ' 71' ' ' ASP . 93.7 m-20 -70.2 -41.97 72.98 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.849 -178.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 66.1 tp -59.18 -44.63 92.18 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.016 0.436 . . . . 0.0 110.115 176.407 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -60.08 -32.9 71.39 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.498 179.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.4 m -65.54 -36.28 83.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.953 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 62.7 m-85 -77.03 -33.68 57.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.812 0.339 . . . . 0.0 110.557 179.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 86.5 mt -65.08 -46.99 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.388 177.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.61 -5.14 41.28 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.201 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.3 tttp -86.29 -22.92 26.51 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.333 0.587 . . . . 0.0 109.657 178.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.1 t -104.28 177.4 4.86 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.975 179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.1 -1.19 40.14 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.038 0.447 . . . . 0.0 110.209 179.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.2 mptt -77.92 130.19 36.26 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.977 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 65.0 p -79.34 168.37 19.61 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.613 -0.721 . . . . 0.0 110.472 178.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -57.13 -33.32 67.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.524 175.083 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.46 HD23 ' HB3' ' A' ' 36' ' ' PRO . 12.1 mt -71.48 -44.26 65.05 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 115.822 -0.627 . . . . 0.0 111.388 177.234 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.523 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 5.4 mm-40 -65.45 -39.99 92.68 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.902 -179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 62.7 mt -71.02 -40.13 75.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 C-N-CA 120.757 -0.377 . . . . 0.0 110.12 177.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.94 -45.55 86.45 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.242 179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.523 ' HG3' ' O ' ' A' ' 27' ' ' GLU . 0.0 OUTLIER -68.69 -26.7 65.42 Favored 'General case' 0 C--O 1.232 0.152 0 CA-C-O 120.859 0.361 . . . . 0.0 110.849 -178.749 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.1 m -74.67 -43.76 53.64 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.299 179.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 50.8 mm -70.8 -44.73 75.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 121.176 0.512 . . . . 0.0 110.184 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.19 31.15 3.38 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.811 -0.709 . . . . 0.0 111.56 -178.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.2 m -122.34 163.37 20.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 110.291 -0.262 . . . . 0.0 110.291 -179.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 16.0 m -71.11 146.91 93.2 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 116.278 -0.419 . . . . 0.0 109.901 177.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.46 ' HB3' HD23 ' A' ' 26' ' ' LEU . 14.7 Cg_endo -57.03 -33.14 95.1 Favored 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 122.699 2.266 . . . . 0.0 112.116 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -66.37 -35.79 81.23 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.154 0.502 . . . . 0.0 110.546 177.276 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 27.4 m -67.99 -39.28 83.3 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.592 0.71 . . . . 0.0 109.298 -177.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -71.22 -34.73 71.09 Favored 'General case' 0 C--N 1.32 -0.716 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.838 177.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 10.9 t30 -66.01 -40.13 90.85 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.084 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 p -65.32 -22.91 66.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.72 0.295 . . . . 0.0 111.447 178.149 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.511 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 52.4 m0 -77.64 -40.75 40.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.235 0.54 . . . . 0.0 109.885 173.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 46.0 t -63.72 -33.28 75.3 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.878 178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -84.43 -4.92 59.19 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.501 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.97 35.82 92.6 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.629 -177.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 49.5 mm -81.72 -41.59 18.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.331 0.586 . . . . 0.0 110.074 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -145.57 154.29 42.0 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.373 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 98.6 mt -108.36 131.31 21.85 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 116.004 -0.543 . . . . 0.0 109.577 177.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.511 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 48.6 Cg_endo -66.64 158.05 57.81 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.932 2.422 . . . . 0.0 111.73 178.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 71.5 mtp85 -93.58 -175.68 3.85 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.729 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 88.9 mtp -56.92 -30.6 64.13 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 -171.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -64.35 -38.65 96.12 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.868 -0.682 . . . . 0.0 112.762 -179.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.402 ' HA ' ' HD2' ' A' ' 53' ' ' LYS . 10.5 mptt -97.12 -28.58 14.05 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 111.931 0.345 . . . . 0.0 111.931 -177.046 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 79.4 t -59.71 -36.94 68.66 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.239 0 CA-C-O 121.129 0.49 . . . . 0.0 109.966 174.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -59.31 -42.32 91.12 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.849 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.21 -40.85 77.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.734 -179.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.4 mt -63.49 -50.86 67.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.188 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.6 -35.44 79.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.012 0.434 . . . . 0.0 110.889 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -70.44 -44.34 68.03 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.141 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 50.1 t80 -65.25 -36.74 85.04 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.32 -176.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -90.84 -4.51 56.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.099 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 55.48 48.91 17.86 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.357 0.599 . . . . 0.0 110.27 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.4 pt -127.15 -177.71 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.431 -179.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -98.62 161.66 13.55 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 178.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.473 ' O ' HG13 ' A' ' 69' ' ' ILE . 63.6 pttt -63.68 -32.2 73.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.304 0.573 . . . . 0.0 109.925 177.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 35.8 t -66.37 -27.9 68.22 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.287 -176.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -66.87 -25.64 66.5 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.899 0.381 . . . . 0.0 111.172 -176.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.4 mt -94.56 -23.36 17.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.959 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.473 HG13 ' O ' ' A' ' 65' ' ' LYS . 72.7 mt -84.97 -51.76 13.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.608 -175.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -95.76 153.95 17.47 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-O 121.086 0.469 . . . . 0.0 111.087 -176.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.728 ' HA ' HD21 ' A' ' 13' ' ' ASN . 24.2 t70 -83.26 171.01 14.04 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.948 -176.562 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.8 pttt -78.22 33.58 0.19 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.163 0.506 . . . . 0.0 111.226 -177.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -84.57 16.0 3.44 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.193 0.521 . . . . 0.0 110.713 -179.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.3 mt -80.35 73.29 7.24 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 115.628 -0.715 . . . . 0.0 110.827 -178.108 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 -125.69 -170.72 2.23 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.644 -0.707 . . . . 0.0 109.671 178.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 53.1 mt -77.97 133.71 29.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.705 0 CA-C-O 120.998 0.428 . . . . 0.0 110.542 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -165.39 125.4 1.82 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.539 HG21 ' H ' ' A' ' 94' ' ' HIS . 37.8 p -47.98 138.5 8.96 Favored 'General case' 0 C--N 1.319 -0.736 0 O-C-N 123.962 0.789 . . . . 0.0 112.315 -176.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 39.8 t -107.75 90.95 6.81 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.273 -173.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 73.2 Cg_endo -73.82 -164.64 0.22 Allowed 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.762 2.308 . . . . 0.0 111.872 178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 81' ' ' ILE . 4.1 mp -85.47 129.57 37.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.158 0.504 . . . . 0.0 110.09 179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.406 ' HG2' ' N ' ' A' ' 83' ' ' SER . 29.8 tt0 -154.84 168.15 27.87 Favored 'General case' 0 C--N 1.316 -0.867 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.406 ' N ' ' HG2' ' A' ' 82' ' ' GLU . 21.1 t -51.78 126.85 19.11 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.135 176.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.57 -102.01 0.18 Allowed Glycine 0 N--CA 1.444 -0.777 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.194 -173.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 22.4 t80 58.31 80.11 0.19 Allowed 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 -171.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 89.2 m 65.47 82.42 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.104 -0.953 . . . . 0.0 109.162 -167.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.402 ' H ' ' HG ' ' A' ' 87' ' ' LEU . 3.9 pp -83.13 147.52 28.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.442 -174.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -85.08 160.29 20.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.132 178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 49.3 m-70 -66.22 113.37 4.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.029 -178.18 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -80.6 105.36 11.79 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 175.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.8 t-80 -102.45 -71.55 0.72 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.767 0.317 . . . . 0.0 110.867 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -138.96 158.72 43.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.776 179.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -131.55 149.46 52.5 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 175.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.539 ' H ' HG21 ' A' ' 78' ' ' THR . 6.0 t60 . . . . . 0 C--O 1.244 0.791 0 CA-C-O 118.728 -0.653 . . . . 0.0 109.349 -178.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.48 1.053 0 N-CA-C 110.099 -0.334 . . . . 0.0 110.099 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.7 t -85.52 95.54 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 120.881 0.372 . . . . 0.0 110.373 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.659 ' HA ' ' HE3' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -90.95 -39.42 12.26 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.707 177.055 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.548 ' HB3' ' HZ3' ' A' ' 7' ' ' LYS . 12.7 t70 71.42 111.48 0.06 Allowed 'General case' 0 N--CA 1.466 0.37 0 O-C-N 124.066 0.854 . . . . 0.0 110.526 -179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 95.0 mttt -69.13 -35.05 75.96 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.584 -173.23 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 26.3 mp0 -64.28 -34.66 78.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.362 -176.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.548 ' HZ3' ' HB3' ' A' ' 4' ' ' ASP . 4.7 ttmp? -63.43 -36.79 84.92 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.838 176.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.38 -33.07 62.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.905 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.6 mt -72.19 -43.26 66.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.266 -0.424 . . . . 0.0 109.857 176.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.42 ' CD1' ' HB3' ' A' ' 68' ' ' LEU . 67.5 t80 -53.17 -57.33 10.83 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.444 -0.798 . . . . 0.0 110.834 178.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 5.3 p -63.14 -46.94 84.87 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.663 -176.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 18.1 tp10 -59.32 -48.55 81.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.235 -178.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.2 t30 -72.4 -40.16 67.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.804 -177.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 18' ' ' ILE . 61.1 tp -60.48 -48.88 79.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.994 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.469 ' HA ' HD12 ' A' ' 18' ' ' ILE . 10.1 t-20 -60.18 -35.62 75.78 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.415 -178.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 37.1 m -62.11 -43.82 98.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.776 178.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.2 m-85 -66.92 -37.67 84.76 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.561 0.219 . . . . 0.0 110.858 178.644 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 15' ' ' ASN . 77.4 mt -60.39 -45.06 97.19 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-O 120.957 0.408 . . . . 0.0 110.286 176.654 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -62.01 -40.06 94.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.887 178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -59.45 -38.16 80.02 Favored 'General case' 0 C--O 1.233 0.23 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.009 177.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 17.1 t -72.25 -21.92 61.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.289 -176.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 13.4 tp10 58.22 42.1 22.5 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 122.094 0.95 . . . . 0.0 109.109 -177.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.457 ' HD2' HG12 ' A' ' 28' ' ' ILE . 25.3 ttmm -121.34 160.54 23.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 114.993 -1.003 . . . . 0.0 109.532 -176.11 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.9 p -88.13 145.02 26.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.703 0.287 . . . . 0.0 110.908 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -61.45 -37.5 83.79 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.073 0.463 . . . . 0.0 110.332 -179.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -43.53 94.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.52 178.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -64.29 -42.46 96.39 Favored 'General case' 0 N--CA 1.441 -0.915 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.692 -179.134 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.512 ' O ' HG12 ' A' ' 32' ' ' ILE . 57.6 mt -63.53 -45.29 98.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.39 179.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.18 -39.0 77.79 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.703 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -65.92 -34.48 78.21 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.366 177.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.1 m -75.66 -32.31 60.14 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 120.78 0.324 . . . . 0.0 110.825 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 28' ' ' ILE . 47.7 mm -77.54 -44.26 29.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.125 0.488 . . . . 0.0 110.615 179.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 109.37 31.73 3.18 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.043 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.0 m -130.12 167.27 25.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 120.686 0.279 . . . . 0.0 110.368 -179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 12.1 m -72.92 148.57 89.49 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.158 177.624 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 31.6 Cg_exo -58.54 -28.48 85.84 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.442 2.095 . . . . 0.0 111.583 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 24.9 mt-30 -68.68 -35.49 77.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.843 176.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 9.1 m -70.03 -36.29 74.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.748 0.785 . . . . 0.0 109.308 -178.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 37.3 t80 -71.03 -34.55 71.4 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.586 175.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.56 -40.88 98.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.044 179.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 5.5 p -65.36 -22.87 66.86 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-O 120.801 0.334 . . . . 0.0 111.725 179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 35.6 m0 -83.5 -37.96 22.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.107 0.48 . . . . 0.0 109.779 175.263 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 52.5 t -64.9 -37.33 87.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.569 -0.741 . . . . 0.0 110.803 178.046 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 18.0 mmtp -81.04 -4.66 55.94 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.242 178.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 59.27 44.36 96.55 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.924 -0.655 . . . . 0.0 112.132 -176.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.8 mt -89.3 -41.01 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 CA-C-O 121.037 0.446 . . . . 0.0 110.252 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -146.3 148.45 32.43 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.557 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 96.8 mt -95.56 124.72 52.08 Favored Pre-proline 0 C--N 1.324 -0.535 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.237 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_endo -67.74 155.56 69.49 Favored 'Trans proline' 0 N--CA 1.462 -0.379 0 C-N-CA 122.939 2.426 . . . . 0.0 112.005 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 20.9 ttt85 -67.4 150.87 48.36 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 177.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.614 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 45.7 ttm -51.73 -33.85 36.46 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 112.6 0.593 . . . . 0.0 112.6 -173.38 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.14 -37.37 91.62 Favored Glycine 0 CA--C 1.518 0.231 0 C-N-CA 120.921 -0.657 . . . . 0.0 112.354 179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.27 -28.7 38.32 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.928 0.394 . . . . 0.0 110.495 177.576 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 64.5 t -63.8 -34.46 68.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.057 175.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.614 ' HG2' ' O ' ' A' ' 51' ' ' MET . 28.2 mm-40 -54.73 -48.42 72.56 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.509 176.706 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.46 -41.4 98.62 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.002 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.5 mt -62.49 -50.85 69.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.778 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.37 -38.95 91.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.071 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -66.26 -43.96 85.02 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.969 -179.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 31.5 t80 -62.02 -37.95 86.83 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.968 -177.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -91.46 -3.59 56.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.054 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 57.96 36.16 25.92 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.371 -177.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 35.0 pt -113.26 -177.07 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.292 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -92.39 152.24 19.84 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 178.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.443 ' O ' HG13 ' A' ' 69' ' ' ILE . 23.9 pttm -64.95 -30.04 71.01 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.074 0.464 . . . . 0.0 110.089 177.65 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 16.3 m -66.42 -19.06 65.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.663 -179.724 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -63.04 -29.85 71.14 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 121.351 0.596 . . . . 0.0 110.471 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.42 ' HB3' ' CD1' ' A' ' 10' ' ' PHE . 78.4 mt -93.37 -19.89 20.88 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.808 -179.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.451 ' O ' HG22 ' A' ' 69' ' ' ILE . 19.9 mt -104.92 8.1 9.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.557 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.159 -173.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -48.62 150.45 1.4 Allowed 'General case' 0 CA--C 1.532 0.257 0 CA-C-O 121.777 0.799 . . . . 0.0 112.426 179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.1 t0 -142.21 136.97 30.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.86 -1.064 . . . . 0.0 109.115 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.435 ' HD2' ' HA ' ' A' ' 72' ' ' LYS . 27.6 mmmt -112.18 15.91 20.31 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 -176.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 tmtt? -88.27 2.53 52.16 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-O 122.674 1.226 . . . . 0.0 108.405 169.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 78.8 mt -92.98 87.41 5.76 Favored 'General case' 0 N--CA 1.439 -0.984 0 CA-C-N 113.924 -1.489 . . . . 0.0 108.707 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 32.3 t-20 73.49 102.54 0.07 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.479 1.112 . . . . 0.0 109.165 -174.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 57.6 mt -72.77 132.48 33.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.464 -0.789 . . . . 0.0 112.071 -170.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -136.41 96.37 3.35 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 173.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 10.5 p -48.59 107.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -169.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.411 HG13 ' O ' ' A' ' 79' ' ' VAL . 4.6 p -113.0 86.81 9.53 Favored Pre-proline 0 CA--C 1.537 0.477 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.163 170.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -77.16 137.7 17.36 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.498 2.132 . . . . 0.0 113.327 -172.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.413 HD12 ' N ' ' A' ' 81' ' ' ILE . 4.1 mp -109.75 126.95 66.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 172.472 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -86.33 79.65 8.97 Favored 'General case' 0 C--N 1.312 -1.035 0 CA-C-O 121.289 0.566 . . . . 0.0 110.243 -179.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 49.1 m -148.1 -164.49 2.03 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.485 178.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -91.76 109.0 3.67 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.219 -0.991 . . . . 0.0 113.167 -177.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 69.8 m-85 -82.78 72.43 9.85 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.104 0.478 . . . . 0.0 109.943 174.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 7.2 m -72.04 111.84 7.61 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.3 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 81.8 mt -87.66 99.8 12.34 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.818 -177.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -71.45 139.21 49.56 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 176.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -136.7 113.19 10.05 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.525 0.679 . . . . 0.0 112.308 -170.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -116.84 -161.36 0.8 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 114.987 -1.006 . . . . 0.0 109.229 173.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 37.2 m170 -98.11 170.22 9.06 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.912 0.387 . . . . 0.0 110.835 -178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.6 t60 -83.86 112.41 20.1 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.598 177.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -82.36 138.95 34.34 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.001 -178.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.2 p80 . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.359 -0.829 . . . . 0.0 109.346 178.127 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 110.077 -0.342 . . . . 0.0 110.077 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.9 m -84.48 7.0 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 0.0 112.161 -175.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 79.2 mttt -80.79 -175.34 5.25 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-O 121.094 0.473 . . . . 0.0 111.646 179.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.635 ' HB2' ' HB3' ' A' ' 7' ' ' LYS . 7.4 m-20 -62.72 113.75 3.2 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.36 -0.837 . . . . 0.0 111.738 -173.722 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' HE3' HD11 ' A' ' 9' ' ' ILE . 58.3 tptt -67.24 -45.78 75.72 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.039 175.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -61.78 -44.35 97.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.487 -178.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.676 ' HD3' HG13 ' A' ' 48' ' ' ILE . 17.6 ttpp -70.84 -31.77 68.59 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.502 -178.109 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.72 -42.57 95.15 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.271 175.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.444 HD11 ' HE3' ' A' ' 5' ' ' LYS . 85.3 mt -62.95 -51.67 69.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.521 176.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -54.46 -49.04 70.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.339 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 p -66.27 -42.86 87.87 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.331 -178.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -63.19 -45.7 90.52 Favored 'General case' 0 C--O 1.236 0.344 0 CA-C-O 120.807 0.337 . . . . 0.0 110.487 179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -59.0 -55.33 36.6 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.721 177.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.504 ' HG ' HD11 ' A' ' 18' ' ' ILE . 59.3 tp -58.47 -44.45 89.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.763 -179.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -56.47 -34.97 67.4 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.976 -179.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.582 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 17.6 m -59.51 -43.19 93.45 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.73 -178.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -73.8 -37.48 64.92 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.63 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.504 HD11 ' HG ' ' A' ' 14' ' ' LEU . 69.2 mt -64.44 -51.89 62.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.031 -0.532 . . . . 0.0 111.111 -178.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.7 -7.08 54.64 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.796 -175.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.582 ' HB2' ' O ' ' A' ' 16' ' ' SER . 26.6 tttp -91.86 -17.12 25.73 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.167 0.508 . . . . 0.0 110.177 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 32.7 t -90.54 155.35 18.95 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.064 -177.096 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -81.14 -13.15 58.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.642 173.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -90.27 120.47 31.44 Favored 'General case' 0 N--CA 1.441 -0.907 0 CA-C-N 115.305 -0.862 . . . . 0.0 108.899 175.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 68.0 p -81.47 178.06 8.58 Favored 'General case' 0 C--N 1.318 -0.779 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.753 -171.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -52.59 -33.2 45.04 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.341 -0.845 . . . . 0.0 110.538 175.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.423 ' O ' ' HG3' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -70.27 -44.32 68.67 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.58 -179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -61.16 -49.84 75.61 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.4 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.476 ' O ' HG12 ' A' ' 32' ' ' ILE . 55.5 mt -65.21 -42.61 94.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.163 -175.684 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.35 -38.26 76.87 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.492 -178.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 26' ' ' LEU . 9.3 mtpm? -62.94 -37.34 86.65 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.286 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.6 m -78.69 -34.53 46.08 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.145 -179.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 28' ' ' ILE . 49.3 mm -69.77 -44.52 79.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 121.006 0.432 . . . . 0.0 110.639 179.203 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 116.57 24.72 3.64 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.448 -0.882 . . . . 0.0 112.472 178.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 22.4 m -128.88 176.49 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.8 m -88.21 154.63 51.95 Favored Pre-proline 0 C--N 1.32 -0.714 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 176.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.45 -26.48 63.43 Favored 'Trans proline' 0 C--N 1.347 0.488 0 C-N-CA 122.516 2.144 . . . . 0.0 111.684 177.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.2 mt-30 -67.18 -40.69 86.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.594 177.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.4 m -66.61 -40.99 89.09 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.565 0.698 . . . . 0.0 109.445 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 14.0 t80 -66.74 -34.27 77.46 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 114.99 -1.005 . . . . 0.0 110.055 178.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -65.01 -33.39 75.92 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.421 -0.808 . . . . 0.0 110.835 -178.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 50.4 p -67.73 -37.48 82.26 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.985 -178.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.407 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 29.6 m0 -67.8 -36.55 80.63 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.162 0.506 . . . . 0.0 109.811 176.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 51.9 t -63.28 -36.52 83.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.512 177.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.8 mmtt -83.04 -4.9 58.83 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.242 178.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 64.29 32.79 85.37 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.612 -177.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 69.9 mt -73.43 -52.3 22.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.832 0.349 . . . . 0.0 110.433 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -135.64 172.05 13.57 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.566 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.676 HG13 ' HD3' ' A' ' 7' ' ' LYS . 95.6 mt -119.82 129.72 25.21 Favored Pre-proline 0 C--N 1.323 -0.565 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 177.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.407 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 60.1 Cg_endo -70.21 155.56 64.17 Favored 'Trans proline' 0 N--CA 1.462 -0.337 0 C-N-CA 122.613 2.208 . . . . 0.0 111.878 178.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 54' ' ' VAL . 80.1 mtt180 -85.41 170.65 12.51 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.467 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.647 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 24.4 ptm -50.25 -35.46 27.06 Favored 'General case' 0 N--CA 1.465 0.3 0 O-C-N 123.793 0.683 . . . . 0.0 112.64 -172.599 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.17 -46.17 56.81 Favored Glycine 0 CA--C 1.522 0.471 0 C-N-CA 121.178 -0.534 . . . . 0.0 113.15 -179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -92.5 -22.4 19.59 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 50' ' ' ARG . 78.6 t -61.04 -42.6 93.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.757 0.313 . . . . 0.0 110.755 177.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.647 ' HG2' ' O ' ' A' ' 51' ' ' MET . 0.0 OUTLIER -67.15 -32.39 73.47 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 110.019 -0.363 . . . . 0.0 110.019 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.21 -44.95 74.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.665 177.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.5 mt -61.15 -50.3 73.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.696 177.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.84 -28.59 70.12 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.318 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -74.34 -39.2 62.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 13.3 t80 -71.94 -31.66 66.56 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.855 -177.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -92.85 -6.32 49.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.771 176.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.8 m120 57.87 42.74 22.65 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.529 178.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.6 pt -122.98 178.48 3.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.585 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.4 m-80 -98.78 170.77 8.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.702 0.287 . . . . 0.0 110.523 -176.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.81 -37.08 73.15 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.509 176.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.542 ' O ' ' HG2' ' A' ' 70' ' ' GLU . 1.3 m -61.96 -43.94 97.79 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.622 -0.717 . . . . 0.0 111.398 -177.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -61.63 -23.37 66.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.819 -174.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.2 mt -90.81 -31.16 16.6 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.8 mm -93.72 -51.49 11.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.94 0.718 . . . . 0.0 112.94 -170.266 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.542 ' HG2' ' O ' ' A' ' 66' ' ' SER . 9.4 pt-20 -86.87 147.23 25.88 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 121.336 0.589 . . . . 0.0 112.03 -173.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -84.69 160.07 20.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.366 -0.833 . . . . 0.0 111.233 -174.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.897 ' H ' ' HD3' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -80.69 -3.69 51.61 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.914 -176.616 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.867 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 6.9 mmpt? -84.58 16.85 2.96 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.267 0.556 . . . . 0.0 110.537 175.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.442 HD12 ' HB2' ' A' ' 70' ' ' GLU . 59.7 mt -93.08 8.72 38.87 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.416 174.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -80.58 143.05 33.48 Favored 'General case' 0 C--N 1.319 -0.747 0 N-CA-C 108.519 -0.919 . . . . 0.0 108.519 175.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.819 ' H ' HD12 ' A' ' 76' ' ' ILE . 3.7 mp -61.09 113.77 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.315 -0.927 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 178.128 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -156.4 107.62 2.44 Favored 'General case' 0 C--N 1.314 -0.975 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.332 -174.629 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 1.7 m 63.62 22.46 13.16 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.271 175.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 60.8 t -134.08 86.28 37.5 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.526 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -75.13 112.64 3.6 Favored 'Trans proline' 0 N--CA 1.46 -0.468 0 C-N-CA 122.874 2.383 . . . . 0.0 110.807 173.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.643 HG12 ' H ' ' A' ' 83' ' ' SER . 12.8 tt -63.5 138.43 22.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 CA-C-O 121.169 0.509 . . . . 0.0 111.269 -177.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -86.98 20.83 2.49 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.671 0.748 . . . . 0.0 110.621 -176.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.643 ' H ' HG12 ' A' ' 81' ' ' ILE . 65.0 m -154.72 172.42 17.95 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.987 179.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 99.54 44.72 2.26 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.529 -0.843 . . . . 0.0 112.716 176.187 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -76.08 130.23 38.01 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 174.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 17.2 m -83.96 85.56 7.3 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.346 0.593 . . . . 0.0 111.528 -176.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.714 HD23 ' H ' ' A' ' 87' ' ' LEU . 1.8 pt? -96.94 -171.51 2.25 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 172.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -72.45 100.88 2.8 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.096 0.474 . . . . 0.0 111.493 -174.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -134.57 172.39 12.99 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.957 175.476 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 50.5 p-80 -69.51 141.5 53.88 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.829 -0.434 . . . . 0.0 109.829 177.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 28.8 m80 -102.89 -56.73 2.17 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.849 0.357 . . . . 0.0 110.724 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -121.46 116.65 25.11 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.443 -176.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -100.8 66.94 1.21 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.982 0.42 . . . . 0.0 110.816 -179.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 19.9 t-80 . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.68 -0.676 . . . . 0.0 109.238 174.792 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.6 mtt . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.683 0.277 . . . . 0.0 110.887 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.3 t -114.78 105.93 19.62 Favored 'Isoleucine or valine' 0 C--O 1.236 0.357 0 CA-C-O 120.967 0.413 . . . . 0.0 110.667 -176.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -161.3 126.45 3.61 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.087 179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -65.13 96.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 174.117 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.465 ' HG2' ' OE1' ' A' ' 6' ' ' GLN . 21.6 pttm -69.44 -29.86 67.66 Favored 'General case' 0 C--N 1.322 -0.615 0 C-N-CA 120.37 -0.532 . . . . 0.0 110.121 -176.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.465 ' OE1' ' HG2' ' A' ' 5' ' ' LYS . 1.1 mp0 -57.61 -46.8 83.63 Favored 'General case' 0 C--O 1.231 0.093 0 CA-C-O 121.236 0.541 . . . . 0.0 109.814 174.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 40.5 ttmt -63.7 -37.56 87.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.349 -0.841 . . . . 0.0 110.437 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.406 ' O ' ' HB2' ' A' ' 12' ' ' GLU . . . -75.78 -35.12 60.2 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.691 -179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.536 HG21 ' HA ' ' A' ' 71' ' ' ASP . 94.5 mt -71.2 -47.03 62.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.458 0.171 . . . . 0.0 110.971 179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.4 t80 -54.92 -46.95 74.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.637 179.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 16.5 p -70.06 -42.55 72.7 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.991 179.517 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 8' ' ' ALA . 8.4 tp10 -58.14 -51.01 71.49 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.78 -179.349 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -58.7 -55.75 31.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.562 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.59 ' O ' HG13 ' A' ' 18' ' ' ILE . 52.3 tp -55.35 -51.29 67.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.013 -178.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.494 ' HA ' HD12 ' A' ' 18' ' ' ILE . 25.9 t-20 -61.35 -36.84 81.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.969 -175.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.3 m -68.02 -40.65 82.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.065 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 33.7 m-85 -66.65 -40.15 88.56 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.633 178.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.59 HG13 ' O ' ' A' ' 14' ' ' LEU . 78.8 mt -55.47 -44.13 74.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.995 0.426 . . . . 0.0 110.805 177.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.85 -29.41 64.36 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.5 -178.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 24.4 mmtm -80.62 -40.33 25.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.748 0.309 . . . . 0.0 111.071 179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 55.2 m -67.77 -30.12 69.5 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-O 120.802 0.334 . . . . 0.0 110.147 175.219 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 58.67 69.7 0.71 Allowed 'General case' 0 C--O 1.233 0.187 0 CA-C-N 115.298 -0.864 . . . . 0.0 110.265 -178.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.401 ' HE2' ' HG3' ' A' ' 27' ' ' GLU . 21.0 tptm -133.42 157.88 44.46 Favored 'General case' 0 C--N 1.321 -0.667 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.467 ' OG1' ' HB2' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -75.19 136.22 41.03 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.733 0.302 . . . . 0.0 111.246 -178.665 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -60.39 -41.69 94.36 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.596 -179.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.67 ' HG ' ' HG3' ' A' ' 36' ' ' PRO . 1.0 OUTLIER -57.01 -43.59 81.94 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-N 115.368 -0.833 . . . . 0.0 110.709 177.622 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.467 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 1.4 tm-20 -59.65 -49.91 75.92 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.583 179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.48 ' O ' HG13 ' A' ' 32' ' ' ILE . 55.0 mt -59.59 -47.91 89.3 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.358 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.646 -179.02 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.47 -39.11 92.35 Favored 'General case' 0 C--O 1.235 0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.984 179.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -63.3 -41.08 98.93 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.508 178.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 23.3 t -71.4 -19.38 62.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.045 0.45 . . . . 0.0 110.881 -179.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 28' ' ' ILE . 96.4 mt -81.95 -44.78 20.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.114 0.483 . . . . 0.0 110.25 176.357 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 113.44 23.12 5.24 Favored Glycine 0 N--CA 1.446 -0.652 0 CA-C-N 115.634 -0.712 . . . . 0.0 111.547 -175.571 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.5 m -125.12 -176.19 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.3 m -101.7 156.72 34.86 Favored Pre-proline 0 C--N 1.319 -0.739 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.67 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 33.8 Cg_exo -56.65 -30.19 82.64 Favored 'Trans proline' 0 CA--C 1.531 0.357 0 C-N-CA 122.693 2.262 . . . . 0.0 112.301 178.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -63.93 -39.74 94.85 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.13 0.49 . . . . 0.0 110.358 174.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.5 m -67.34 -40.27 85.86 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.735 0.779 . . . . 0.0 109.059 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 42.4 t80 -64.74 -34.99 79.63 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 114.788 -1.096 . . . . 0.0 110.205 177.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -64.41 -37.81 88.84 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.701 -0.681 . . . . 0.0 111.343 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 68.4 p -64.83 -23.9 67.38 Favored 'General case' 0 CA--C 1.529 0.172 0 CA-C-O 120.815 0.341 . . . . 0.0 111.079 -179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.406 ' CD1' ' HD3' ' A' ' 49' ' ' PRO . 26.5 m0 -88.8 -40.99 12.78 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.061 0.458 . . . . 0.0 109.978 177.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 35.6 t -65.44 -37.46 86.96 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.381 -177.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.476 ' HB3' HG13 ' A' ' 46' ' ' ILE . 0.9 OUTLIER -83.66 -0.95 52.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.305 178.201 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 62.49 46.34 94.01 Favored Glycine 0 N--CA 1.45 -0.423 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.251 -177.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.476 HG13 ' HB3' ' A' ' 44' ' ' LYS . 73.8 mt -93.09 -49.22 13.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.857 0.36 . . . . 0.0 110.274 -179.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -136.49 153.3 51.07 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.542 -178.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 95.7 mt -105.36 125.75 32.67 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.841 177.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.452 ' HB2' ' HB2' ' A' ' 53' ' ' LYS . 63.6 Cg_endo -70.58 172.55 13.23 Favored 'Trans proline' 0 N--CA 1.463 -0.273 0 C-N-CA 122.882 2.388 . . . . 0.0 112.089 179.329 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -92.5 168.4 11.29 Favored 'General case' 0 C--N 1.322 -0.592 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 178.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.622 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 10.6 mmt -50.84 -42.2 58.41 Favored 'General case' 0 N--CA 1.469 0.475 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -173.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.06 -33.35 64.11 Favored Glycine 0 C--N 1.331 0.26 0 C-N-CA 121.092 -0.575 . . . . 0.0 112.666 -178.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.452 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 94.7 mttt -86.01 -34.66 20.72 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.936 0.398 . . . . 0.0 110.418 179.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 61.8 t -62.97 -34.69 67.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.536 177.058 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.622 ' HG2' ' O ' ' A' ' 51' ' ' MET . 28.8 mm-40 -60.97 -37.8 83.71 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.809 178.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.65 -41.22 79.66 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.846 0.355 . . . . 0.0 110.481 179.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 81.5 mt -60.15 -49.51 77.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.441 176.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.12 -29.26 70.1 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.536 -178.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -78.16 -40.61 37.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.846 -178.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.463 ' CE2' HG12 ' A' ' 28' ' ' ILE . 66.5 t80 -60.82 -41.66 96.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.78 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -87.02 -13.23 45.05 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.324 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 61.05 33.43 19.61 Favored 'General case' 0 CA--C 1.532 0.285 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.653 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.444 HG13 ' H ' ' A' ' 64' ' ' ASN . 1.5 pt -104.56 -87.31 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.499 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.444 ' H ' HG13 ' A' ' 63' ' ' ILE . 15.4 t-20 -176.12 163.0 2.58 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.776 -0.824 . . . . 0.0 108.776 176.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.3 pttt -69.68 -30.45 68.11 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-O 121.082 0.467 . . . . 0.0 110.105 176.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 15.2 m -62.89 -41.65 99.5 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.499 -178.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -62.71 -25.22 68.06 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.703 -177.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.5 mt -93.36 -39.84 10.71 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.58 -177.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.5 mm -77.46 -39.81 28.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.745 -174.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -93.54 172.93 7.96 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-O 120.905 0.383 . . . . 0.0 111.997 -173.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.536 ' HA ' HG21 ' A' ' 9' ' ' ILE . 5.3 t0 -66.69 160.64 25.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.789 -0.642 . . . . 0.0 110.765 -175.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -81.13 19.99 0.86 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.517 0.675 . . . . 0.0 110.439 -176.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -84.14 14.06 4.59 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.615 -178.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.2 mt -75.19 78.44 2.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.571 -0.741 . . . . 0.0 110.132 178.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -84.72 108.06 17.23 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.598 -179.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 47.2 mt -69.63 151.18 9.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.98 178.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -76.05 13.92 0.79 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 121.006 0.431 . . . . 0.0 111.933 -176.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.3 p -86.21 -167.01 1.71 Allowed 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.66 178.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.423 ' HA ' ' HD2' ' A' ' 80' ' ' PRO . 5.6 p -105.08 89.35 2.94 Favored Pre-proline 0 CA--C 1.54 0.563 0 CA-C-O 121.176 0.512 . . . . 0.0 110.496 178.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 79' ' ' VAL . 18.3 Cg_endo -57.01 141.39 94.05 Favored 'Trans proline' 0 C--O 1.237 0.451 0 C-N-CA 123.303 2.669 . . . . 0.0 113.14 -174.063 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 59.3 mt -65.86 143.36 15.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 115.556 -0.747 . . . . 0.0 110.515 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.546 ' CD ' ' H ' ' A' ' 82' ' ' GLU . 1.8 mp0 -55.59 103.21 0.09 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.243 -179.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 23.1 t -138.61 135.14 34.62 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -93.18 177.46 38.09 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.876 -0.678 . . . . 0.0 112.258 -177.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 62.8 t80 -144.21 133.07 22.55 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 178.633 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 18.7 p -97.09 131.87 43.45 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.955 0.407 . . . . 0.0 111.275 -178.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -104.44 131.98 51.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -75.27 128.15 34.78 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.52 176.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -107.83 133.77 51.73 Favored 'General case' 0 C--N 1.322 -0.594 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -79.34 -39.56 32.43 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.504 -0.316 . . . . 0.0 110.844 -176.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 61.75 90.89 0.07 Allowed 'General case' 0 CA--C 1.53 0.19 0 O-C-N 123.684 0.615 . . . . 0.0 111.658 177.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -134.93 113.75 11.84 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 174.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -80.32 -10.02 59.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.43 -174.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 . . . . . 0 C--O 1.246 0.914 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 176.294 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.822 ' HB3' ' HB2' ' A' ' 5' ' ' LYS . 1.9 mpt? . . . . . 0 N--CA 1.476 0.845 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.4 m -137.49 132.8 45.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.679 -0.237 . . . . 0.0 111.141 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 79.2 mttt 61.74 103.23 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.499 0 O-C-N 123.728 0.642 . . . . 0.0 112.585 176.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 20.7 t70 71.62 29.09 2.67 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 122.016 0.913 . . . . 0.0 109.01 -177.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.822 ' HB2' ' HB3' ' A' ' 1' ' ' MET . 25.6 pttm -70.08 -24.31 63.21 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 114.415 -1.266 . . . . 0.0 112.33 -172.047 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.09 -39.66 86.91 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.352 0.596 . . . . 0.0 109.905 -179.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.438 ' HA ' HD11 ' A' ' 48' ' ' ILE . 9.3 mtpm? -71.76 -26.8 62.59 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.288 -179.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.75 -37.82 58.97 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.931 0.396 . . . . 0.0 110.693 177.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 82.4 mt -66.39 -51.61 56.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.374 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.6 t80 -54.02 -48.41 70.52 Favored 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.355 -0.839 . . . . 0.0 111.475 -179.22 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.486 ' HB3' ' HA2' ' A' ' 45' ' ' GLY . 13.7 p -67.07 -46.89 72.94 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.865 -176.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -56.68 -41.07 76.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.944 0.402 . . . . 0.0 110.865 -179.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -66.41 -53.7 32.71 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.38 178.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 56.3 tp -58.29 -39.72 80.04 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.675 -179.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 11' ' ' SER . 3.5 t-20 -56.13 -40.47 73.83 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.351 179.603 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.8 t -65.82 -42.78 90.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.89 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 27.6 m-85 -65.07 -39.04 92.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.978 0.418 . . . . 0.0 110.824 178.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 91.9 mt -71.21 -41.83 75.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.993 -179.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -67.2 -29.62 69.34 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.925 0.393 . . . . 0.0 111.36 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 41.9 tttm -72.02 -31.23 65.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.335 0.588 . . . . 0.0 110.126 177.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 22.9 t -67.43 143.78 56.08 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.085 -0.961 . . . . 0.0 111.362 -176.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -87.99 -0.24 56.77 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.266 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -90.74 -177.39 4.98 Favored 'General case' 0 N--CA 1.447 -0.602 0 CA-C-O 121.195 0.521 . . . . 0.0 111.651 -175.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.475 ' O ' HG13 ' A' ' 28' ' ' ILE . 0.2 OUTLIER -104.14 151.02 23.82 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.725 -178.635 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -66.17 -41.52 90.2 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.216 0.532 . . . . 0.0 109.796 178.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.654 ' HG ' ' HG3' ' A' ' 36' ' ' PRO . 1.3 tt -56.05 -47.31 78.14 Favored 'General case' 0 N--CA 1.452 -0.336 0 CA-C-N 115.029 -0.987 . . . . 0.0 109.532 174.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 62.9 tt0 -60.99 -43.27 99.1 Favored 'General case' 0 N--CA 1.439 -0.987 0 CA-C-N 114.595 -1.184 . . . . 0.0 111.493 -178.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.552 ' O ' HG12 ' A' ' 32' ' ' ILE . 78.0 mt -64.48 -53.59 40.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.587 177.111 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.26 -42.09 94.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.79 -176.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.43 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 9.1 tmtt? -60.92 -39.67 90.28 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.122 -178.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 38.8 m -72.22 -27.87 62.81 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.552 HG12 ' O ' ' A' ' 28' ' ' ILE . 47.4 mm -70.3 -44.94 77.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.196 0 CA-C-O 121.177 0.513 . . . . 0.0 110.233 176.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.8 20.17 4.64 Favored Glycine 0 N--CA 1.448 -0.538 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.687 -177.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.5 m -128.02 169.84 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 110.167 -0.309 . . . . 0.0 110.167 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 m -82.85 144.34 47.97 Favored Pre-proline 0 C--N 1.318 -0.773 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.364 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.654 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 11.6 Cg_endo -58.13 -28.69 84.74 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.779 2.319 . . . . 0.0 111.777 175.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.608 HE22 ' HG2' ' A' ' 36' ' ' PRO . 2.5 mp0 -59.2 -39.67 83.37 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.117 176.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.5 m -78.45 -37.65 43.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.044 -178.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -61.97 -37.0 83.15 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.427 -0.806 . . . . 0.0 110.735 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 53.0 t30 -61.1 -42.54 98.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.485 HG22 HD12 ' A' ' 46' ' ' ILE . 40.1 p -69.26 -24.9 64.04 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.476 -178.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.654 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 51.5 m0 -73.04 -42.64 62.91 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.327 0.584 . . . . 0.0 109.532 174.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 17.5 t -67.67 -29.57 68.88 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.141 -0.936 . . . . 0.0 111.217 -177.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 74.3 mttt -89.21 0.57 56.66 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.641 178.476 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.486 ' HA2' ' HB3' ' A' ' 11' ' ' SER . . . 74.32 13.44 81.49 Favored Glycine 0 C--O 1.235 0.167 0 C-N-CA 120.991 -0.623 . . . . 0.0 113.59 178.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.485 HD12 HG22 ' A' ' 41' ' ' THR . 68.5 mt -66.97 -45.09 87.96 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-O 120.959 0.409 . . . . 0.0 110.036 -179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -143.28 160.53 40.32 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.025 -178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.438 HD11 ' HA ' ' A' ' 7' ' ' LYS . 31.9 mt -118.43 134.41 23.45 Favored Pre-proline 0 C--N 1.322 -0.59 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.719 175.642 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.721 ' HB2' ' HB2' ' A' ' 53' ' ' LYS . 69.8 Cg_endo -72.25 169.46 21.52 Favored 'Trans proline' 0 CA--C 1.529 0.234 0 C-N-CA 122.89 2.393 . . . . 0.0 112.631 179.704 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 82.6 mtt180 -86.89 176.02 7.89 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.866 178.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -50.5 -47.81 57.15 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -171.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -58.74 -28.5 63.05 Favored Glycine 0 N--CA 1.453 -0.21 0 C-N-CA 121.384 -0.436 . . . . 0.0 113.102 -177.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.721 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 3.4 mptp? -89.13 -38.52 14.26 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 110.1 -0.333 . . . . 0.0 110.1 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 96.8 t -61.51 -42.42 93.87 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.177 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.715 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -65.04 -33.53 76.26 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.78 179.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -68.75 -42.24 77.79 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.28 177.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -63.5 -48.76 76.27 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.718 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.18 -30.89 71.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.223 -179.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -79.36 -35.9 40.17 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.84 0.353 . . . . 0.0 110.493 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 46.2 t80 -58.27 -40.91 83.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.885 -179.579 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -94.1 -6.98 43.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.01 179.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 64.4 t30 55.49 67.75 0.97 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 115.736 -0.665 . . . . 0.0 110.63 -174.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.7 pt -139.07 -175.06 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.354 -0.839 . . . . 0.0 109.716 179.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 38.7 m-80 -106.43 178.71 4.48 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.875 -0.416 . . . . 0.0 109.875 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.446 ' HE3' ' HB2' ' A' ' 65' ' ' LYS . 13.6 ptmt -67.73 -35.71 79.26 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.686 0.279 . . . . 0.0 110.537 177.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.423 ' N ' ' HG3' ' A' ' 65' ' ' LYS . 16.3 m -60.58 -38.1 83.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.576 -175.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -56.79 -34.28 67.5 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.604 -176.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.5 mt -94.54 -28.75 15.26 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.144 0.424 . . . . 0.0 112.144 -178.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 48.6 mm -88.15 -37.18 10.22 Favored 'Isoleucine or valine' 0 C--O 1.236 0.389 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -172.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -76.22 147.69 38.19 Favored 'General case' 0 N--CA 1.449 -0.515 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 -178.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 41.4 t0 -79.11 167.89 20.41 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.07 0.462 . . . . 0.0 110.572 -176.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.9 ptpp? -80.04 28.97 0.28 Allowed 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.305 -172.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -84.49 44.23 1.02 Allowed 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 108.879 -0.786 . . . . 0.0 108.879 171.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.1 mt -77.96 76.97 4.47 Favored 'General case' 0 N--CA 1.441 -0.901 0 CA-C-N 114.893 -1.049 . . . . 0.0 111.514 -172.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -92.98 33.17 1.19 Allowed 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 172.445 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.431 HG22 ' N ' ' A' ' 77' ' ' ASP . 20.4 mm -81.63 166.46 2.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 114.775 -1.102 . . . . 0.0 109.583 -177.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.431 ' N ' HG22 ' A' ' 76' ' ' ILE . 4.4 p-10 -72.11 10.13 0.82 Allowed 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 121.01 0.433 . . . . 0.0 111.937 -179.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.534 ' O ' ' HD3' ' A' ' 80' ' ' PRO . 0.2 OUTLIER -82.8 -164.07 0.81 Allowed 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.764 176.686 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.6 p -106.91 89.06 4.06 Favored Pre-proline 0 C--N 1.324 -0.502 0 CA-C-O 121.021 0.439 . . . . 0.0 110.765 177.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.534 ' HD3' ' O ' ' A' ' 78' ' ' THR . 52.6 Cg_exo -54.54 114.01 1.63 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.759 2.306 . . . . 0.0 112.252 -178.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 13.4 tt -86.65 157.36 3.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.437 -177.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -68.78 106.89 2.83 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.85 0.357 . . . . 0.0 110.164 174.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 9.8 t -99.89 -174.15 2.63 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.981 -178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -99.65 142.58 16.04 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.909 -175.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 60.6 t80 -89.09 115.39 26.59 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.076 -0.713 . . . . 0.0 109.076 176.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 86.7 m -67.13 125.55 26.39 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.254 0.549 . . . . 0.0 111.641 -175.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.3 tt -98.67 97.7 8.93 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 174.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -105.66 87.86 2.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.4 0.619 . . . . 0.0 110.606 -176.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -101.28 3.25 40.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.124 179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 24.6 m80 -121.82 161.04 23.43 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.829 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 15.0 p-80 -122.99 139.08 54.45 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 170.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 16.4 t-160 -94.14 -79.13 0.42 Allowed 'General case' 0 C--N 1.321 -0.664 0 C-N-CA 120.138 -0.625 . . . . 0.0 110.39 -178.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 67.7 t60 67.86 141.17 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 121.767 0.794 . . . . 0.0 111.884 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 10.3 p80 . . . . . 0 C--O 1.246 0.886 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.733 176.66 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.478 0.946 0 N-CA-C 110.125 -0.324 . . . . 0.0 110.125 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.423 HG12 ' O ' ' A' ' 3' ' ' LYS . 71.7 t 74.3 -58.86 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.268 0 O-C-N 123.613 0.571 . . . . 0.0 112.194 174.05 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.586 ' HG2' ' N ' ' A' ' 4' ' ' ASP . 59.0 tttp 66.21 176.97 0.22 Allowed 'General case' 0 N--CA 1.47 0.552 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -174.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.586 ' N ' ' HG2' ' A' ' 3' ' ' LYS . 21.9 t70 67.64 34.03 4.72 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-O 122.01 0.909 . . . . 0.0 109.683 173.216 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 64.2 tttm -71.17 -25.25 62.46 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 114.58 -1.191 . . . . 0.0 112.545 -172.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -59.56 -42.7 93.03 Favored 'General case' 0 N--CA 1.466 0.368 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -173.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.488 ' HZ3' ' CG ' ' A' ' 4' ' ' ASP . 2.2 ptpp? -65.21 -36.95 85.78 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.71 0.291 . . . . 0.0 111.506 -177.367 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.12 -43.72 82.61 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.96 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.2 mt -66.71 -51.25 58.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.635 178.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 93.5 t80 -55.82 -49.4 73.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.036 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.549 ' HB2' ' HA3' ' A' ' 45' ' ' GLY . 40.0 t -61.36 -51.67 67.84 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.09 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -62.83 -36.38 83.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.876 0.369 . . . . 0.0 111.276 -173.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m-20 -72.51 -55.74 6.49 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.816 178.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.427 ' O ' HG13 ' A' ' 18' ' ' ILE . 50.5 tp -61.49 -45.58 93.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.548 -176.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 33.3 t-20 -58.39 -38.96 78.39 Favored 'General case' 0 C--O 1.235 0.304 0 CA-C-O 121.069 0.461 . . . . 0.0 110.757 -175.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.1 m -62.04 -44.46 96.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.124 -179.191 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 71.8 m-85 -70.57 -31.86 69.04 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 122.389 -0.194 . . . . 0.0 111.061 -178.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 14' ' ' LEU . 84.0 mt -63.81 -40.16 88.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.225 0.536 . . . . 0.0 110.21 176.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.46 -37.27 63.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.464 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.3 mtpt -72.28 -33.98 67.84 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -177.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 30.1 p -75.94 -26.53 56.97 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 121.156 0.503 . . . . 0.0 109.656 174.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.1 tt0 62.56 30.78 17.1 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.685 176.089 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.3 mtpp -94.47 150.33 20.37 Favored 'General case' 0 N--CA 1.44 -0.942 0 CA-C-N 115.382 -0.826 . . . . 0.0 108.94 174.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.519 ' OG1' ' HB2' ' A' ' 27' ' ' GLU . 1.3 p -75.79 146.32 40.07 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.946 0.403 . . . . 0.0 111.421 -176.429 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -58.87 -38.75 79.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.829 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.431 ' HG ' ' HB3' ' A' ' 36' ' ' PRO . 0.6 OUTLIER -62.64 -44.98 94.9 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.249 177.704 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.519 ' HB2' ' OG1' ' A' ' 24' ' ' THR . 0.8 OUTLIER -61.35 -52.06 66.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.885 -178.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.512 ' O ' HG12 ' A' ' 32' ' ' ILE . 61.6 mt -64.8 -40.36 88.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.109 -178.055 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -55.42 -43.22 75.1 Favored 'General case' 0 C--O 1.233 0.234 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.521 -178.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -64.43 -42.64 95.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.067 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 46.1 m -66.36 -29.7 69.93 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.538 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.512 HG12 ' O ' ' A' ' 28' ' ' ILE . 39.6 mm -74.56 -43.55 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.048 0.452 . . . . 0.0 110.346 176.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 119.57 18.54 4.41 Favored Glycine 0 N--CA 1.447 -0.606 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.321 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.3 m -126.67 173.87 11.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-O 120.721 0.296 . . . . 0.0 110.649 -179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.6 m -85.07 155.18 60.83 Favored Pre-proline 0 C--N 1.32 -0.678 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.08 176.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.431 ' HB3' ' HG ' ' A' ' 26' ' ' LEU . 14.3 Cg_endo -56.77 -29.91 82.62 Favored 'Trans proline' 0 C--N 1.346 0.441 0 C-N-CA 122.72 2.28 . . . . 0.0 112.147 -179.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 48.7 tt0 -66.03 -40.34 90.93 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.458 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.9 m -70.41 -37.07 74.39 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.707 0.765 . . . . 0.0 109.306 -179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 32.9 t80 -69.05 -34.69 75.59 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.176 -0.92 . . . . 0.0 109.961 177.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 9.0 t30 -64.47 -38.39 90.86 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.478 179.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.464 HG22 HD12 ' A' ' 46' ' ' ILE . 31.9 p -69.96 -22.68 63.14 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 121.011 -0.275 . . . . 0.0 111.279 177.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 54.2 m0 -76.99 -40.94 44.94 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.968 0.414 . . . . 0.0 110.055 175.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 50.1 t -64.9 -37.75 88.66 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.378 177.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.563 ' HB3' HG13 ' A' ' 46' ' ' ILE . 21.2 mmtt -71.02 -18.11 62.6 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.844 174.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.549 ' HA3' ' HB2' ' A' ' 11' ' ' SER . . . 69.89 39.19 75.55 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.152 -175.576 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.563 HG13 ' HB3' ' A' ' 44' ' ' LYS . 71.8 mt -85.47 -40.35 14.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.105 0.478 . . . . 0.0 110.594 -179.676 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -139.54 147.67 41.53 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.738 -178.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 48' ' ' ILE . 4.3 mp -111.79 125.25 30.65 Favored Pre-proline 0 C--N 1.324 -0.516 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 177.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.504 ' HB2' ' HB2' ' A' ' 53' ' ' LYS . 74.0 Cg_endo -75.13 174.66 12.41 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.987 2.458 . . . . 0.0 112.283 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 31.7 mtm180 -99.98 -168.09 1.55 Allowed 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 111.879 0.325 . . . . 0.0 111.879 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 53.0 tpp -50.34 -47.1 56.04 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.449 -0.796 . . . . 0.0 112.844 -168.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.7 -34.07 80.42 Favored Glycine 0 CA--C 1.519 0.333 0 C-N-CA 120.745 -0.74 . . . . 0.0 113.207 -175.313 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.504 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 9.7 mptt -92.87 -34.76 13.7 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.534 0.207 . . . . 0.0 111.065 -177.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.62 -42.8 96.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.781 0.324 . . . . 0.0 110.311 177.489 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.5 tm0? -63.4 -38.92 93.02 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.816 -0.438 . . . . 0.0 109.816 179.162 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.86 -40.44 95.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.605 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.3 mt -64.87 -50.13 67.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.234 176.368 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -58.31 -43.97 88.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.409 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.5 t70 -63.87 -42.04 97.61 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.204 0.526 . . . . 0.0 110.74 179.395 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -65.53 -33.3 75.6 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.004 -176.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -100.29 5.76 44.57 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.446 -179.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 56.41 54.49 7.51 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.595 0.712 . . . . 0.0 111.011 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.9 pt -136.69 -171.45 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 115.778 -0.647 . . . . 0.0 109.806 177.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.406 ' HB2' ' OD1' ' A' ' 67' ' ' ASP . 35.9 m-80 -100.73 162.09 13.15 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.799 0.333 . . . . 0.0 110.191 177.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 59.0 pttt -60.21 -31.58 70.3 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.265 0.555 . . . . 0.0 110.952 177.332 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.2 p -72.62 -20.83 61.21 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.584 -0.734 . . . . 0.0 112.03 -176.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.406 ' OD1' ' HB2' ' A' ' 64' ' ' ASN . 6.5 m-20 -67.75 -24.72 65.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 121.112 0.482 . . . . 0.0 111.098 -179.305 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 90.5 mt -92.98 -20.64 20.39 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.858 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 47.3 mm -90.79 -49.3 13.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.986 -176.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 73.2 mm-40 -89.21 162.74 15.73 Favored 'General case' 0 N--CA 1.444 -0.744 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.759 -177.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.591 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 12.4 t70 -80.85 157.6 25.63 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 178.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.402 ' H ' ' HG2' ' A' ' 72' ' ' LYS . 18.1 pttm -83.82 12.99 5.23 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-O 121.267 0.556 . . . . 0.0 111.232 -177.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.3 ttmm -92.45 21.62 5.2 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.257 177.363 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.591 ' HG ' ' O ' ' A' ' 71' ' ' ASP . 57.8 mt -78.55 88.59 4.49 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-O 121.22 0.534 . . . . 0.0 111.838 -173.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -74.5 103.22 4.75 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-N 115.252 -0.885 . . . . 0.0 109.336 169.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.7 mm -71.54 132.27 33.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.118 -176.134 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 31.5 m-20 -104.25 91.72 4.04 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 115.836 -0.62 . . . . 0.0 109.634 -179.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -65.12 100.9 0.48 Allowed 'General case' 0 C--N 1.313 -0.981 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.256 177.47 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.1 t -123.41 87.75 51.75 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.991 178.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 65.4 Cg_endo -73.19 178.24 6.82 Favored 'Trans proline' 0 CA--C 1.529 0.266 0 C-N-CA 122.806 2.337 . . . . 0.0 112.479 -178.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 11.9 tt -127.82 134.38 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.157 0.503 . . . . 0.0 110.398 178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -81.96 94.82 7.22 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.443 -179.233 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.5 m -114.9 159.13 21.06 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.744 -178.334 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -97.74 -122.36 4.45 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.8 -176.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 77.8 m-85 -114.37 -178.93 3.49 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.009 0.433 . . . . 0.0 110.986 -175.241 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.7 t -113.22 177.18 4.72 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 173.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 76.1 mt -90.66 135.95 33.38 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.946 0.403 . . . . 0.0 110.33 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -81.62 175.16 10.72 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.473 0.654 . . . . 0.0 110.989 -177.167 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 63.8 m80 -104.63 81.28 1.76 Allowed 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 106.671 -1.603 . . . . 0.0 106.671 163.652 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -79.4 52.8 1.42 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.199 -0.91 . . . . 0.0 111.683 -165.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 42.6 m-70 63.19 -173.48 0.16 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.793 0.806 . . . . 0.0 112.91 175.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -145.2 170.38 16.37 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 114.725 -1.125 . . . . 0.0 109.57 -177.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 51.8 m80 -91.48 13.03 18.82 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.697 0.761 . . . . 0.0 110.509 -178.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 73.4 t60 . . . . . 0 C--O 1.247 0.934 0 CA-C-N 114.605 -1.18 . . . . 0.0 108.272 176.37 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ttt . . . . . 0 N--CA 1.481 1.098 0 CA-C-O 120.643 0.258 . . . . 0.0 110.329 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.9 p -146.57 162.42 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 -179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 18.1 tptm 68.17 86.45 0.13 Allowed 'General case' 0 C--O 1.233 0.202 0 CA-C-O 121.763 0.792 . . . . 0.0 109.605 -176.594 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.694 ' HB2' ' HD3' ' A' ' 7' ' ' LYS . 5.0 m-20 -70.78 129.37 38.91 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 114.835 -1.075 . . . . 0.0 111.754 -170.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -69.7 -41.67 75.09 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.393 -0.822 . . . . 0.0 110.91 179.321 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 55.1 tp60 -64.16 -32.95 74.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.234 -175.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.694 ' HD3' ' HB2' ' A' ' 4' ' ' ASP . 41.4 mtpt -66.66 -32.54 73.93 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.974 0.416 . . . . 0.0 110.733 177.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -75.61 -37.37 59.85 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.4 174.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.461 HG23 ' HB2' ' A' ' 71' ' ' ASP . 71.7 mt -63.11 -48.83 85.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.997 178.185 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.6 t80 -59.67 -51.66 68.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.852 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 18.1 p -62.26 -37.32 85.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.809 -178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -59.75 -52.83 63.82 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.006 0.432 . . . . 0.0 110.449 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 34.7 m-80 -67.63 -43.0 81.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.008 -177.572 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 59.5 tp -61.71 -45.04 95.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.931 0.396 . . . . 0.0 110.376 178.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 -65.97 -34.04 77.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.559 -178.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.1 t -53.95 -45.06 71.18 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.208 -178.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -69.3 -49.26 57.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.965 0.412 . . . . 0.0 110.549 179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.406 HG21 ' HG2' ' A' ' 25' ' ' GLN . 71.3 mt -64.09 -39.74 86.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 115.533 -0.758 . . . . 0.0 111.598 -175.195 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.18 -31.98 66.42 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.306 -179.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 18.4 ttpt -71.84 -41.02 68.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.269 0.556 . . . . 0.0 109.591 176.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 16.6 t -64.47 154.17 36.67 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 114.959 -1.019 . . . . 0.0 111.174 -176.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -99.15 24.01 8.41 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.558 -0.747 . . . . 0.0 109.946 -178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.531 ' HE3' ' HG3' ' A' ' 27' ' ' GLU . 41.7 tptt -109.09 150.76 27.35 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.661 -179.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 6.1 p -81.15 146.89 30.31 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.017 0.436 . . . . 0.0 111.834 -178.215 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.406 ' HG2' HG21 ' A' ' 18' ' ' ILE . 53.4 mt-30 -61.04 -40.28 93.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.363 178.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -56.56 -45.91 81.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.824 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.531 ' HG3' ' HE3' ' A' ' 23' ' ' LYS . 0.8 OUTLIER -57.8 -47.37 82.8 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.161 0.505 . . . . 0.0 110.671 -179.521 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.605 ' O ' HG12 ' A' ' 32' ' ' ILE . 62.9 mt -65.56 -48.89 81.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.636 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.59 -46.33 84.15 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.718 -177.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -64.12 -39.13 93.36 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.529 -179.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.5 m -67.88 -34.69 77.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.882 179.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.605 HG12 ' O ' ' A' ' 28' ' ' ILE . 48.5 mm -65.14 -44.36 95.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.242 0.544 . . . . 0.0 109.537 174.466 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 118.33 18.78 4.85 Favored Glycine 0 N--CA 1.445 -0.751 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.021 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.0 m -119.93 160.04 20.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-O 120.993 0.425 . . . . 0.0 110.625 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 50.7 m -73.62 146.98 86.57 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.188 176.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 14.1 Cg_endo -57.68 -26.21 71.79 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.605 2.204 . . . . 0.0 111.401 176.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -63.52 -43.48 97.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.302 176.016 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 26.6 m -70.82 -39.06 73.28 Favored 'General case' 0 N--CA 1.452 -0.331 0 CA-C-O 121.35 0.595 . . . . 0.0 109.843 179.264 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -63.42 -34.66 78.23 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.909 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 11.6 t30 -66.49 -39.69 88.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.019 179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 57.0 p -68.07 -22.95 64.91 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.577 -0.449 . . . . 0.0 110.717 178.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.599 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 54.6 m0 -76.3 -45.16 33.71 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.241 0.543 . . . . 0.0 109.547 173.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 42.5 t -62.54 -31.05 71.77 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.527 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.772 ' HA ' ' HE2' ' A' ' 44' ' ' LYS . 6.9 mmpt? -85.75 -3.73 58.98 Favored 'General case' 0 N--CA 1.447 -0.6 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.526 179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.1 24.81 75.8 Favored Glycine 0 CA--C 1.52 0.389 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.903 -178.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.4 mt -77.74 -37.6 24.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.306 0.574 . . . . 0.0 110.13 -179.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -148.21 150.1 33.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.168 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.527 HD11 ' HA ' ' A' ' 7' ' ' LYS . 86.8 mt -106.54 128.36 26.38 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.691 176.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.599 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 42.7 Cg_endo -64.97 153.37 78.57 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.547 2.165 . . . . 0.0 111.538 178.679 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.454 ' O ' HG23 ' A' ' 54' ' ' VAL . 48.8 mtt180 -90.51 173.93 7.81 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 110.021 -0.362 . . . . 0.0 110.021 -178.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 82.8 mtp -54.97 -30.78 59.83 Favored 'General case' 0 N--CA 1.466 0.344 0 N-CA-C 112.859 0.689 . . . . 0.0 112.859 -170.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -59.59 -45.15 96.1 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.824 -0.703 . . . . 0.0 112.565 179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.584 ' N ' ' HE2' ' A' ' 53' ' ' LYS . 0.8 OUTLIER -85.62 -31.49 22.55 Favored 'General case' 0 C--N 1.327 -0.397 0 O-C-N 122.48 -0.423 . . . . 0.0 111.078 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 50' ' ' ARG . 65.2 t -63.98 -34.16 66.71 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 CA-C-O 120.805 0.336 . . . . 0.0 110.289 178.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -52.92 -42.47 65.43 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.74 175.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -69.78 -40.02 76.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.759 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 97.3 mt -61.4 -48.12 82.66 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.513 177.483 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.97 -28.58 69.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.077 179.422 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -74.67 -41.84 59.56 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.095 0.474 . . . . 0.0 110.752 179.516 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -64.07 -40.61 96.63 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.965 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 85.2 m-85 -91.0 -6.99 53.22 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.293 -178.474 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 15.2 m120 54.78 57.71 5.45 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.511 0.672 . . . . 0.0 111.237 -176.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.5 pt -134.49 -171.84 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.1 -0.955 . . . . 0.0 109.823 179.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -96.71 160.43 14.38 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 110.214 -0.291 . . . . 0.0 110.214 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tmmt? -65.7 -32.56 74.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.061 0.458 . . . . 0.0 110.212 -178.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.651 ' O ' ' HG2' ' A' ' 70' ' ' GLU . 18.7 p -74.63 -26.06 59.64 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.721 -179.072 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 87.6 m-20 -61.81 -24.88 67.15 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -172.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 85.7 mt -90.87 -19.85 22.91 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.736 0.303 . . . . 0.0 111.473 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 35.0 mm -87.8 -42.11 14.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.102 -174.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.651 ' HG2' ' O ' ' A' ' 66' ' ' SER . 7.8 pt-20 -83.12 144.16 30.04 Favored 'General case' 0 N--CA 1.449 -0.491 0 CA-C-O 121.258 0.551 . . . . 0.0 111.466 -177.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.461 ' HB2' HG23 ' A' ' 9' ' ' ILE . 11.1 t70 -108.36 126.12 52.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.701 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.584 ' NZ ' ' HB2' ' A' ' 72' ' ' LYS . 2.3 ttmp? 68.04 8.4 6.48 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.759 172.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.519 ' HB3' ' OE2' ' A' ' 70' ' ' GLU . 0.2 OUTLIER -92.61 4.58 53.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.78 0.8 . . . . 0.0 109.446 174.43 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 73.7 mt -94.31 63.04 3.0 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 114.544 -1.207 . . . . 0.0 109.086 178.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 67.7 107.59 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.54 -170.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 48.0 mm -44.55 123.87 0.78 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 115.428 -0.805 . . . . 0.0 112.729 -171.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -82.42 87.58 6.62 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 114.79 -1.095 . . . . 0.0 109.237 178.295 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 14.9 t -57.0 138.54 54.2 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.309 -0.859 . . . . 0.0 110.388 177.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 46.4 t -120.6 86.74 40.49 Favored Pre-proline 0 C--N 1.323 -0.587 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.693 -178.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 97.7 Cg_endo -81.25 -172.22 1.44 Allowed 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.767 2.311 . . . . 0.0 111.525 176.411 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 16.2 tt -64.09 140.04 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 172.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.52 ' CD ' ' H ' ' A' ' 82' ' ' GLU . 1.2 pm0 -70.75 112.06 6.68 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 121.538 0.685 . . . . 0.0 111.318 -172.59 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 22.3 t -85.06 172.78 11.01 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.195 -0.912 . . . . 0.0 110.139 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.31 109.84 2.36 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.039 178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.465 ' HD2' ' HB2' ' A' ' 87' ' ' LEU . 79.3 t80 -147.48 133.37 19.1 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 -178.147 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 29.7 m -73.09 99.03 2.68 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.415 0.626 . . . . 0.0 110.056 177.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.465 ' HB2' ' HD2' ' A' ' 85' ' ' TYR . 57.4 tp -131.06 133.92 46.14 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.356 -174.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.82 131.92 54.72 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 11.7 m-70 -135.7 113.27 10.82 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.947 0.403 . . . . 0.0 110.469 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -92.55 107.74 19.45 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.813 -0.631 . . . . 0.0 109.578 178.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 19.6 t60 -72.53 110.51 6.97 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.357 -177.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 82.6 m-70 -81.62 143.81 31.67 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 177.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -129.53 140.66 51.18 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 80.2 t60 . . . . . 0 C--O 1.243 0.728 0 CA-C-O 118.567 -0.73 . . . . 0.0 109.826 178.676 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 N--CA 1.481 1.09 0 CA-C-O 121.05 0.452 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 48.1 t -86.33 108.71 17.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.12 177.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 50.7 tptt -96.38 113.98 25.61 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.579 -0.526 . . . . 0.0 109.579 178.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -69.03 115.77 8.72 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 110.189 -0.3 . . . . 0.0 110.189 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.48 ' O ' HG13 ' A' ' 9' ' ' ILE . 61.6 mttp -69.4 -45.59 68.87 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.541 -176.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 24.5 tp60 -58.49 -42.94 88.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.075 0.464 . . . . 0.0 110.866 -178.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.3 ttpp -66.99 -36.53 82.38 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.861 179.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.0 -31.97 64.85 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.07 178.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 5' ' ' LYS . 85.7 mt -66.53 -42.5 90.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 174.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 83.2 t80 -57.83 -47.87 81.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.981 -179.71 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 p -67.44 -46.85 71.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.098 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -57.83 -41.6 82.63 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-O 121.323 0.583 . . . . 0.0 110.327 178.86 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -63.82 -51.56 64.17 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.318 -0.855 . . . . 0.0 110.265 179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.523 ' HG ' HD11 ' A' ' 18' ' ' ILE . 43.6 tp -58.5 -48.05 82.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.335 -179.014 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 21.8 m-80 -58.92 -32.86 69.94 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.717 -178.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 44.3 m -58.67 -37.76 76.71 Favored 'General case' 0 CA--C 1.53 0.18 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.838 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -75.8 -46.52 30.14 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.99 178.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.523 HD11 ' HG ' ' A' ' 14' ' ' LEU . 52.3 mt -60.8 -40.82 86.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.619 -174.723 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.25 -12.83 60.03 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.793 -176.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.0 tttm -104.13 -17.64 14.83 Favored 'General case' 0 C--O 1.237 0.407 0 CA-C-O 121.142 0.496 . . . . 0.0 110.407 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 24.9 t -83.1 168.36 16.96 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.088 178.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -90.22 -3.68 57.68 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.281 178.108 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.629 ' HG2' ' OH ' ' A' ' 60' ' ' TYR . 1.9 mptm? -86.52 149.15 25.16 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.621 -176.413 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 21.5 p -98.35 167.37 10.88 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.378 176.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.7 mt-30 -60.17 -33.86 72.78 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.279 0.562 . . . . 0.0 110.303 178.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 3.4 mt -68.05 -41.54 81.9 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.168 -0.924 . . . . 0.0 111.352 -179.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -62.39 -50.75 70.3 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.559 178.337 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.48 ' O ' HG12 ' A' ' 32' ' ' ILE . 58.8 mt -63.37 -44.48 99.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.84 -177.5 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.99 -42.14 79.7 Favored 'General case' 0 C--O 1.236 0.373 0 CA-C-O 120.793 0.33 . . . . 0.0 111.064 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' C ' ' HD2' ' A' ' 30' ' ' LYS . 1.0 OUTLIER -60.31 -43.91 95.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.51 177.819 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.3 m -74.99 -18.74 60.32 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.769 -174.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 28' ' ' ILE . 50.5 mm -87.52 -44.7 16.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 121.04 0.448 . . . . 0.0 109.925 175.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.56 28.6 2.28 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.032 -179.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.422 ' HB ' ' HB ' ' A' ' 38' ' ' THR . 27.0 m -131.53 176.74 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.772 0.32 . . . . 0.0 110.721 -178.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 19.9 m -84.24 156.53 63.07 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 109.809 -0.441 . . . . 0.0 109.809 176.394 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -56.54 -33.66 93.34 Favored 'Trans proline' 0 C--N 1.345 0.365 0 C-N-CA 122.577 2.185 . . . . 0.0 111.781 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -73.97 -27.67 61.1 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.347 178.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.422 ' HB ' ' HB ' ' A' ' 34' ' ' VAL . 1.8 m -71.14 -38.18 72.27 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 178.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -71.35 -40.52 70.63 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 114.284 -1.325 . . . . 0.0 110.456 177.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.402 ' HA ' ' HB2' ' A' ' 43' ' ' CYS . 17.7 t30 -68.23 -32.7 73.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.926 -176.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.516 HG22 HD12 ' A' ' 46' ' ' ILE . 1.9 p -67.32 -33.79 76.01 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.78 0.324 . . . . 0.0 110.665 176.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.523 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 35.0 m0 -70.17 -38.63 75.46 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.564 -0.532 . . . . 0.0 109.564 171.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . 0.402 ' HB2' ' HA ' ' A' ' 40' ' ' ASN . 96.3 m -62.45 -31.25 71.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.398 -0.819 . . . . 0.0 111.254 177.379 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.419 ' HB3' ' HE3' ' A' ' 44' ' ' LYS . 26.7 mtpp -84.75 -3.55 58.64 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.184 177.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 63.61 29.36 74.45 Favored Glycine 0 N--CA 1.45 -0.4 0 C-N-CA 120.956 -0.64 . . . . 0.0 112.61 -178.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.516 HD12 HG22 ' A' ' 41' ' ' THR . 75.6 mt -72.87 -49.48 39.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.854 0.359 . . . . 0.0 110.126 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -140.82 156.77 46.07 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.069 178.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 94.2 mt -100.23 129.41 28.22 Favored Pre-proline 0 C--N 1.323 -0.562 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 176.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.541 ' HG2' HG22 ' A' ' 54' ' ' VAL . 37.5 Cg_endo -64.82 169.3 11.86 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 122.625 2.217 . . . . 0.0 112.055 179.747 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.424 ' O ' HG23 ' A' ' 54' ' ' VAL . 9.8 ttm180 -75.9 160.32 30.03 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.834 -0.432 . . . . 0.0 109.834 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 48.6 ttm -50.43 -41.75 52.94 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 113.4 0.889 . . . . 0.0 113.4 -168.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -60.36 -47.57 90.44 Favored Glycine 0 CA--C 1.516 0.153 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.933 -177.278 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.406 ' O ' ' HG ' ' A' ' 57' ' ' LEU . 49.6 mttp -76.47 -22.01 55.11 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 122.74 -0.271 . . . . 0.0 111.589 -178.03 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.541 HG22 ' HG2' ' A' ' 49' ' ' PRO . 94.3 t -65.4 -42.69 94.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 173.301 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.5 tp60 -66.74 -32.97 74.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.125 177.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -64.84 -42.68 94.74 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.737 176.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 53' ' ' LYS . 95.0 mt -59.14 -49.79 76.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.799 177.071 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.1 -39.21 91.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.967 -0.561 . . . . 0.0 110.83 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -62.3 -45.42 93.35 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.041 179.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . 0.629 ' OH ' ' HG2' ' A' ' 23' ' ' LYS . 85.2 t80 -59.46 -38.75 81.57 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.146 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 69.5 m-85 -90.23 4.86 49.36 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.959 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 34.3 m-80 64.55 18.44 11.38 Favored 'General case' 0 N--CA 1.463 0.212 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.185 174.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 22.1 pt -111.58 179.42 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.033 0.444 . . . . 0.0 111.503 -174.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 42.3 m-80 -93.36 162.6 13.92 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.815 -0.629 . . . . 0.0 109.563 177.615 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' H ' ' HD2' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -66.07 -33.67 76.32 Favored 'General case' 0 N--CA 1.462 0.157 0 CA-C-O 121.031 0.443 . . . . 0.0 110.109 179.277 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.403 ' N ' ' HG2' ' A' ' 65' ' ' LYS . 13.5 m -66.94 -21.2 65.99 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.866 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -73.78 -25.48 60.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.845 0.355 . . . . 0.0 110.445 -178.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 86.3 mt -93.81 -37.06 11.96 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 115.827 -0.624 . . . . 0.0 111.248 177.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 65' ' ' LYS . 48.8 mm -69.29 -46.4 77.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.004 -179.297 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -92.38 153.7 19.0 Favored 'General case' 0 N--CA 1.443 -0.811 0 CA-C-N 116.192 -0.458 . . . . 0.0 109.834 178.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 39.9 t0 -91.12 150.5 21.37 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.999 -0.741 . . . . 0.0 108.999 176.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.0 mttm -84.83 27.36 0.75 Allowed 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.903 -166.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -93.33 16.92 12.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.17 0.509 . . . . 0.0 109.868 177.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.0 mt -74.24 77.45 1.81 Allowed 'General case' 0 N--CA 1.447 -0.591 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.726 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -94.65 -162.86 0.98 Allowed 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 176.356 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 45.8 mm -64.71 127.7 25.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.986 0.422 . . . . 0.0 110.678 -178.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -163.78 120.2 1.7 Allowed 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 108.439 -0.949 . . . . 0.0 108.439 179.366 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 2.9 p -45.19 116.94 1.22 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 113.428 0.899 . . . . 0.0 113.428 -175.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.0 p -117.34 87.74 25.61 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-O 121.648 0.737 . . . . 0.0 109.78 176.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 63.4 Cg_endo -72.28 165.86 31.41 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.727 2.285 . . . . 0.0 112.734 -176.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 32.6 mt -74.92 127.6 36.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.865 177.097 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -100.54 -170.54 1.88 Allowed 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.166 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 59.7 m -66.24 119.76 12.07 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.097 0.475 . . . . 0.0 110.836 178.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -109.73 -135.58 7.22 Favored Glycine 0 N--CA 1.445 -0.714 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 179.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -139.35 -176.45 4.54 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 120.841 0.353 . . . . 0.0 110.68 178.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 11.2 t -78.03 168.61 19.62 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.216 -177.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.9 pp -76.02 168.53 19.88 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.944 0.402 . . . . 0.0 110.779 179.153 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -93.73 142.74 27.01 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.088 -0.506 . . . . 0.0 111.258 -177.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 4.5 p80 -69.92 160.29 32.14 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 78.1 m-70 -103.44 162.42 13.04 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-O 121.046 0.45 . . . . 0.0 111.593 -173.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -64.5 -70.56 0.22 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.823 -178.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.496 ' HB3' ' H ' ' A' ' 93' ' ' HIS . 3.3 t60 176.94 -90.55 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 108.881 -0.785 . . . . 0.0 108.881 -179.195 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.496 ' H ' ' HB3' ' A' ' 92' ' ' HIS . 29.3 m80 -149.29 -58.26 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 171.33 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 35.0 m170 . . . . . 0 C--O 1.244 0.796 0 CA-C-O 118.432 -0.794 . . . . 0.0 109.64 172.496 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.1 mtt . . . . . 0 N--CA 1.481 1.089 0 CA-C-O 120.818 0.342 . . . . 0.0 110.44 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.1 m -120.47 -31.05 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.602 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.436 173.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt 66.5 -74.46 0.06 Allowed 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 123.357 0.663 . . . . 0.0 111.473 178.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.428 ' HB3' ' HB3' ' A' ' 7' ' ' LYS . 15.9 t70 -165.47 129.47 2.31 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 176.021 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -69.69 -49.63 51.65 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -173.213 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 11.5 pt20 -73.84 -30.72 62.83 Favored 'General case' 0 N--CA 1.453 -0.313 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.744 -175.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.428 ' HB3' ' HB3' ' A' ' 4' ' ' ASP . 41.8 ttmt -62.3 -42.9 99.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.305 175.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -65.66 -40.89 92.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.6 mt -65.8 -51.29 63.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.402 177.221 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.472 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 91.9 t80 -56.34 -49.8 73.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.413 -178.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.495 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 23.9 p -61.14 -45.99 92.38 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.106 -177.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -69.33 -42.42 75.37 Favored 'General case' 0 N--CA 1.445 -0.692 0 N-CA-C 111.904 0.335 . . . . 0.0 111.904 -179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -59.58 -52.28 66.2 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.708 0.29 . . . . 0.0 110.716 177.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' O ' HG13 ' A' ' 18' ' ' ILE . 58.2 tp -62.98 -41.11 99.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.84 0.352 . . . . 0.0 110.481 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.495 ' HB2' ' O ' ' A' ' 11' ' ' SER . 13.1 t-20 -56.28 -44.72 80.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.44 -177.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 89.7 p -60.64 -47.73 84.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.169 -177.599 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -60.28 -38.55 83.94 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.657 0.265 . . . . 0.0 110.937 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 14' ' ' LEU . 88.2 mt -63.72 -48.64 85.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.931 0.396 . . . . 0.0 110.627 178.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -66.21 -32.63 74.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.469 -179.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -76.04 -29.91 58.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.65 179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 25.9 t -77.95 -11.85 59.93 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.382 179.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 65.28 14.24 9.29 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.517 178.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -87.97 150.34 23.5 Favored 'General case' 0 N--CA 1.44 -0.934 0 CA-C-O 120.851 0.358 . . . . 0.0 110.123 178.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 46.3 p -81.47 160.6 23.94 Favored 'General case' 0 C--N 1.317 -0.815 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 176.133 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -60.01 -36.73 77.85 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.384 0.611 . . . . 0.0 109.38 175.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -63.83 -44.89 91.87 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 114.874 -1.057 . . . . 0.0 110.905 177.329 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.11 -53.2 59.92 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.158 -179.293 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.432 ' O ' HG13 ' A' ' 32' ' ' ILE . 53.7 mt -68.57 -42.67 83.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.88 -177.485 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.93 -45.66 91.9 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.978 179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.47 ' O ' ' HD3' ' A' ' 30' ' ' LYS . 8.0 tmtm? -63.08 -38.14 89.98 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.081 0.467 . . . . 0.0 109.952 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.4 m -67.42 -28.26 67.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.066 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 28' ' ' ILE . 73.9 mt -86.87 -44.76 16.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 120.98 0.419 . . . . 0.0 110.82 179.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 123.32 -13.89 8.31 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.848 -0.692 . . . . 0.0 112.096 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.1 m -82.78 159.02 3.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 120.819 0.343 . . . . 0.0 110.849 179.555 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.3 m -76.54 144.02 73.11 Favored Pre-proline 0 C--N 1.324 -0.527 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.131 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -55.84 -33.55 88.75 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 123.108 2.539 . . . . 0.0 112.787 -179.128 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -58.78 -45.39 89.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.924 0.392 . . . . 0.0 110.571 177.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 6.6 m -67.65 -38.42 83.78 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.62 0.724 . . . . 0.0 109.591 -178.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -63.64 -42.17 98.17 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.045 -0.98 . . . . 0.0 110.08 178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -69.29 -33.32 73.01 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.363 -178.807 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.418 ' HA ' HD12 ' A' ' 46' ' ' ILE . 31.8 p -68.11 -23.29 64.89 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.524 -0.471 . . . . 0.0 110.825 178.531 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.673 ' CE2' ' HB3' ' A' ' 49' ' ' PRO . 31.5 m0 -77.57 -45.73 24.41 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 172.069 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 75.4 m -58.3 -37.16 74.5 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 114.574 -1.194 . . . . 0.0 111.825 179.261 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -89.15 10.49 21.72 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.715 -178.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 58.08 40.38 93.44 Favored Glycine 0 C--N 1.329 0.186 0 C-N-CA 120.971 -0.633 . . . . 0.0 112.872 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.418 HD12 ' HA ' ' A' ' 41' ' ' THR . 72.9 mt -92.52 -58.76 3.4 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.246 0.546 . . . . 0.0 109.801 179.186 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.54 155.21 40.97 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.498 -178.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.416 HG13 ' HE2' ' A' ' 7' ' ' LYS . 97.2 mt -100.98 129.12 27.92 Favored Pre-proline 0 C--N 1.32 -0.688 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 176.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.673 ' HB3' ' CE2' ' A' ' 42' ' ' TRP . 61.6 Cg_endo -70.83 145.7 51.64 Favored 'Trans proline' 0 N--CA 1.46 -0.446 0 C-N-CA 122.497 2.131 . . . . 0.0 111.482 177.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -76.7 169.72 17.77 Favored 'General case' 0 C--N 1.32 -0.693 0 C-N-CA 120.598 -0.441 . . . . 0.0 110.124 178.304 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 51.1 ttp -59.29 -27.74 66.13 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -167.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -62.99 -32.05 82.78 Favored Glycine 0 CA--C 1.519 0.309 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.289 179.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.476 ' N ' ' HD2' ' A' ' 53' ' ' LYS . 3.2 mptp? -90.63 -36.05 14.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.722 0.296 . . . . 0.0 110.455 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 58.5 t -61.54 -39.89 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 121.056 0.455 . . . . 0.0 110.149 177.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -60.63 -41.6 95.22 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.78 -0.645 . . . . 0.0 109.739 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.31 -36.87 85.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.18 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.4 mt -62.56 -50.79 69.95 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.866 0.365 . . . . 0.0 110.45 177.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.67 -31.49 72.39 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.657 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.44 -46.82 65.84 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.237 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -67.69 -38.52 83.8 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.139 0.495 . . . . 0.0 110.843 -178.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -89.12 -6.13 57.27 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.143 -176.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 22.9 m120 53.87 49.65 18.6 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.392 -178.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.6 pt -129.46 -171.7 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.656 -179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -97.4 159.53 14.86 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 178.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -68.87 -30.6 69.15 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.996 0.427 . . . . 0.0 110.781 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 48.9 m -71.75 -22.56 61.59 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.401 -178.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 -64.62 -27.91 69.26 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-O 120.954 0.407 . . . . 0.0 110.97 -178.101 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.472 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 97.8 mt -93.76 -20.73 19.83 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.314 -179.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.8 mm -93.71 -40.14 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 N-CA-C 111.989 0.366 . . . . 0.0 111.989 -174.346 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . 0.543 ' HB3' HD11 ' A' ' 74' ' ' LEU . 5.2 mm-40 -90.02 153.88 20.24 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-O 121.661 0.743 . . . . 0.0 112.68 -172.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -92.36 177.21 6.21 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 114.629 -1.169 . . . . 0.0 108.796 179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -92.68 3.36 55.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.545 0.688 . . . . 0.0 110.16 177.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp -84.17 27.06 0.7 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.845 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.543 HD11 ' HB3' ' A' ' 70' ' ' GLU . 80.9 mt -85.26 9.11 16.14 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-O 121.66 0.743 . . . . 0.0 110.022 174.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -87.99 119.24 28.17 Favored 'General case' 0 C--N 1.317 -0.817 0 CA-C-N 114.963 -1.017 . . . . 0.0 109.31 177.255 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 51.8 mm -67.1 141.26 18.13 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.672 -0.695 . . . . 0.0 111.211 -175.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -86.28 101.06 12.72 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-O 122.095 0.95 . . . . 0.0 109.844 -178.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.543 ' O ' ' HD3' ' A' ' 80' ' ' PRO . 58.1 p -67.93 -163.99 0.04 OUTLIER 'General case' 0 C--N 1.309 -1.191 0 CA-C-N 114.311 -1.313 . . . . 0.0 110.977 175.1 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 27.9 t -103.83 88.41 1.87 Allowed Pre-proline 0 C--N 1.326 -0.426 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 177.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.543 ' HD3' ' O ' ' A' ' 78' ' ' THR . 83.7 Cg_endo -79.24 -162.74 0.19 Allowed 'Trans proline' 0 C--O 1.235 0.371 0 C-N-CA 123.049 2.499 . . . . 0.0 112.915 -173.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 15.5 tt -67.56 159.51 4.89 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.25 176.305 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 83' ' ' SER . 46.5 mt-10 -66.02 -169.74 0.07 Allowed 'General case' 0 CA--C 1.533 0.296 0 N-CA-C 112.229 0.455 . . . . 0.0 112.229 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 82' ' ' GLU . 44.9 m 75.6 25.51 1.2 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.422 -0.808 . . . . 0.0 109.494 -172.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -77.65 132.59 12.11 Favored Glycine 0 N--CA 1.445 -0.727 0 CA-C-N 115.322 -0.854 . . . . 0.0 112.152 -178.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 27.1 t80 -84.79 107.54 17.01 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 20.3 p -71.38 -44.98 63.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.948 -175.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.9 tt 64.86 91.84 0.08 Allowed 'General case' 0 C--O 1.236 0.348 0 O-C-N 123.735 0.647 . . . . 0.0 109.669 -178.018 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -109.12 154.44 22.3 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.89 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -130.12 96.11 4.1 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.574 0.702 . . . . 0.0 109.815 178.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 37.2 m-70 -104.24 96.47 6.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.067 -178.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 20.9 t60 -74.01 115.53 13.58 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.761 179.747 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 10.8 t60 -86.01 139.77 30.88 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.93 0.395 . . . . 0.0 110.672 -175.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 30.5 t-80 -147.85 137.51 22.53 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.125 -0.695 . . . . 0.0 109.125 174.241 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 32.8 t-80 . . . . . 0 C--O 1.248 1.011 0 CA-C-O 118.562 -0.732 . . . . 0.0 110.142 -178.672 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 72.4 mtm . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.655 -0.128 . . . . 0.0 110.655 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t 48.52 78.08 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 O-C-N 124.058 0.849 . . . . 0.0 111.941 178.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 31.7 mmtp -136.81 155.55 49.66 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.295 179.152 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.5 t70 69.66 105.2 0.06 Allowed 'General case' 0 N--CA 1.471 0.6 0 O-C-N 124.081 0.863 . . . . 0.0 111.415 -179.67 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 52.6 tptt -70.53 -29.27 65.71 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.619 -0.718 . . . . 0.0 111.278 -179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -67.14 -40.81 86.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.497 -0.319 . . . . 0.0 111.321 -173.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HA ' HD11 ' A' ' 48' ' ' ILE . 97.8 mttt -56.45 -34.4 66.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.875 0.369 . . . . 0.0 111.166 178.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.91 -46.72 56.69 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.983 179.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.4 mt -68.3 -51.43 47.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.708 0.289 . . . . 0.0 110.958 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 91.8 t80 -58.56 -49.19 78.32 Favored 'General case' 0 C--O 1.235 0.299 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.303 -177.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.5 t -68.74 -35.44 77.11 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.816 -177.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -60.85 -52.23 65.93 Favored 'General case' 0 C--O 1.232 0.163 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.352 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -59.84 -46.88 87.87 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.893 0.378 . . . . 0.0 110.872 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 46.7 tp -56.54 -45.87 80.95 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.399 178.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -57.91 -41.87 83.55 Favored 'General case' 0 CA--C 1.521 -0.155 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.139 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.2 m -56.91 -51.6 68.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.356 -177.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 88.1 m-85 -67.9 -43.55 79.04 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.103 -178.076 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 86.9 mt -60.7 -47.57 92.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.855 0.36 . . . . 0.0 110.861 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.31 -17.37 62.46 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.8 -176.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.5 mttt -81.44 -15.91 53.66 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.047 0.451 . . . . 0.0 111.416 178.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 34.0 t -100.5 139.53 36.05 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.722 175.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -100.51 94.88 6.37 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 175.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.596 ' HE2' ' HG3' ' A' ' 27' ' ' GLU . 71.0 tttt -161.64 -174.0 4.02 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 -177.557 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.57 ' H ' ' HG2' ' A' ' 23' ' ' LYS . 12.6 p -101.55 138.31 38.71 Favored 'General case' 0 C--N 1.323 -0.571 0 C-N-CA 120.467 -0.493 . . . . 0.0 111.403 -179.424 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 56.4 mt-30 -61.45 -34.09 74.84 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.554 177.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.465 ' HG ' ' HG3' ' A' ' 36' ' ' PRO . 1.1 tt -54.37 -46.55 73.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.509 -0.769 . . . . 0.0 110.889 176.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.596 ' HG3' ' HE2' ' A' ' 23' ' ' LYS . 1.3 tm-20 -56.76 -45.6 81.98 Favored 'General case' 0 N--CA 1.453 -0.277 0 CA-C-O 121.152 0.501 . . . . 0.0 110.671 179.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.467 ' O ' HG13 ' A' ' 32' ' ' ILE . 54.9 mt -63.88 -47.99 88.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.617 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.24 -39.47 92.94 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.032 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 30' ' ' LYS . 13.5 tmtt? -62.92 -41.08 99.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.451 178.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 31.8 t -65.53 -40.49 92.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.467 178.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 28' ' ' ILE . 76.5 mt -64.08 -44.53 97.71 Favored 'Isoleucine or valine' 0 C--O 1.235 0.317 0 CA-C-O 121.14 0.495 . . . . 0.0 110.175 176.197 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.72 23.95 5.44 Favored Glycine 0 N--CA 1.448 -0.534 0 CA-C-N 115.653 -0.703 . . . . 0.0 112.073 -179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.2 m -123.7 174.46 7.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.6 0.238 . . . . 0.0 110.657 -178.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 53.4 m -85.6 146.49 44.22 Favored Pre-proline 0 C--N 1.323 -0.544 0 CA-C-O 120.906 0.384 . . . . 0.0 110.618 178.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.465 ' HG3' ' HG ' ' A' ' 26' ' ' LEU . 52.4 Cg_exo -54.61 -37.01 90.88 Favored 'Trans proline' 0 CA--C 1.53 0.305 0 C-N-CA 123.112 2.541 . . . . 0.0 113.033 -177.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -69.8 -28.72 65.97 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.644 0.259 . . . . 0.0 111.618 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 7.3 m -71.64 -38.8 70.68 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 178.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -67.35 -37.48 83.3 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 114.456 -1.247 . . . . 0.0 109.871 175.12 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 52.9 t30 -63.37 -44.16 95.57 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.01 -0.995 . . . . 0.0 110.915 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.514 HG22 HD12 ' A' ' 46' ' ' ILE . 3.1 p -63.64 -32.16 73.55 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-O 120.603 0.239 . . . . 0.0 111.593 179.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.509 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 43.3 m0 -70.01 -41.68 74.0 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 121.237 0.541 . . . . 0.0 109.791 175.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 31.9 t -71.54 -15.29 62.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.476 -0.784 . . . . 0.0 110.981 -177.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -94.97 -4.36 46.81 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-O 120.744 0.307 . . . . 0.0 110.923 176.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 74.91 25.13 70.09 Favored Glycine 0 N--CA 1.453 -0.168 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.005 178.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.514 HD12 HG22 ' A' ' 41' ' ' THR . 65.8 mt -80.59 -39.4 18.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 121.053 0.454 . . . . 0.0 110.617 -179.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -149.69 156.79 42.46 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.67 -178.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.451 HD11 ' HA ' ' A' ' 7' ' ' LYS . 97.3 mt -115.21 126.66 27.56 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.018 177.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.509 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 83.0 Cg_endo -73.6 166.49 29.66 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 123.229 2.619 . . . . 0.0 112.422 -179.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 13.8 mtp180 -79.77 174.89 11.13 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 120.893 0.378 . . . . 0.0 111.425 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 15.5 tpt -53.27 -34.7 58.33 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 115.536 -0.756 . . . . 0.0 112.063 -175.304 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -56.95 -31.08 60.96 Favored Glycine 0 CA--C 1.521 0.422 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.875 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.496 ' HB2' ' HB2' ' A' ' 49' ' ' PRO . 13.9 mptt -99.26 -35.77 9.86 Favored 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.846 -0.208 . . . . 0.0 110.848 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 93.0 t -61.69 -42.03 92.73 Favored 'Isoleucine or valine' 0 C--O 1.234 0.254 0 CA-C-O 120.909 0.385 . . . . 0.0 110.767 179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.473 ' NE2' ' HB2' ' A' ' 59' ' ' ASP . 1.0 OUTLIER -59.94 -42.56 94.26 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 178.037 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.17 -36.9 85.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.206 -179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 95.2 mt -60.38 -51.16 70.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.088 0.47 . . . . 0.0 110.689 177.043 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -70.71 -22.73 62.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.019 -178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.473 ' HB2' ' NE2' ' A' ' 55' ' ' GLN . 14.7 t70 -77.87 -41.07 37.98 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.614 -179.111 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 56.6 t80 -59.18 -40.92 87.2 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.083 -178.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 83.0 m-85 -90.48 -7.95 51.7 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.854 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.9 t30 55.93 67.66 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.376 -0.829 . . . . 0.0 110.672 -176.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.8 pt -136.78 -168.06 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.39 -0.823 . . . . 0.0 109.298 177.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.417 ' HB2' ' OD2' ' A' ' 67' ' ' ASP . 53.5 m-80 -90.94 156.14 18.2 Favored 'General case' 0 C--N 1.319 -0.724 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 175.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.709 ' H ' ' HD2' ' A' ' 65' ' ' LYS . 9.1 mptt -68.02 -36.11 79.4 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.41 0.624 . . . . 0.0 109.334 -178.555 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.5 p -68.46 -19.3 64.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.111 -0.95 . . . . 0.0 111.79 -178.483 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.417 ' OD2' ' HB2' ' A' ' 64' ' ' ASN . 5.1 m-20 -65.82 -30.49 71.13 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.991 0.424 . . . . 0.0 111.021 178.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 97.4 mt -93.39 -20.72 20.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.904 -0.589 . . . . 0.0 111.114 -179.108 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 65' ' ' LYS . 41.5 mt -97.13 -50.5 11.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.633 -174.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 49.8 mm-40 -88.71 159.92 17.58 Favored 'General case' 0 N--CA 1.447 -0.624 0 N-CA-C 112.208 0.447 . . . . 0.0 112.208 -172.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.529 ' O ' ' HG ' ' A' ' 74' ' ' LEU . 24.9 t0 -53.69 139.18 33.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.364 -0.835 . . . . 0.0 110.214 177.504 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -72.17 11.68 0.54 Allowed 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.434 0.531 . . . . 0.0 112.434 -175.236 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.5 pttt -84.57 18.02 2.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.203 0.525 . . . . 0.0 110.349 175.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.529 ' HG ' ' O ' ' A' ' 71' ' ' ASP . 91.5 mt -64.57 84.34 0.04 OUTLIER 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 115.05 -0.977 . . . . 0.0 111.18 -179.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -82.01 -179.09 7.27 Favored 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 114.568 -1.197 . . . . 0.0 109.712 175.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 40.6 mm -88.73 119.97 36.76 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.97 0 CA-C-N 116.19 -0.459 . . . . 0.0 109.993 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -110.99 84.1 1.87 Allowed 'General case' 0 C--N 1.317 -0.806 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.051 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 13.0 t -179.02 149.55 0.43 Allowed 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.462 177.591 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.441 ' HA ' ' HD2' ' A' ' 80' ' ' PRO . 40.3 t -117.54 88.09 27.93 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 174.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.441 ' HD2' ' HA ' ' A' ' 79' ' ' VAL . 10.5 Cg_endo -52.35 105.93 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 123.295 2.663 . . . . 0.0 112.835 -173.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.714 ' H ' HD12 ' A' ' 81' ' ' ILE . 4.2 mp -65.97 125.3 22.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 177.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -66.38 103.65 1.07 Allowed 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.317 -176.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.9 m -85.73 171.93 11.23 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.424 -0.807 . . . . 0.0 110.874 -174.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -73.44 122.65 7.95 Favored Glycine 0 N--CA 1.448 -0.566 0 C-N-CA 120.975 -0.631 . . . . 0.0 112.883 -177.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 34.6 t80 -65.82 139.2 58.29 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.933 0.397 . . . . 0.0 110.506 176.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 45.6 p -60.76 138.22 58.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.779 178.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 86.9 mt -60.95 134.59 57.25 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.05 0.452 . . . . 0.0 110.976 179.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.53 ' OE2' ' HA ' ' A' ' 91' ' ' HIS . 8.5 pt-20 -69.62 140.61 53.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.279 -178.57 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -88.89 -27.55 20.93 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.903 -179.189 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -113.69 105.67 13.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.678 173.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . 0.53 ' HA ' ' OE2' ' A' ' 88' ' ' GLU . 11.0 t60 -72.77 -30.03 63.78 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.356 -177.224 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -175.62 150.01 1.03 Allowed 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.112 -0.699 . . . . 0.0 109.112 174.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 41.4 t60 70.75 134.16 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.388 0 O-C-N 124.046 0.841 . . . . 0.0 110.933 -175.109 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 3.2 p-80 . . . . . 0 C--O 1.244 0.785 0 CA-C-O 118.507 -0.758 . . . . 0.0 109.562 174.564 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.478 0.925 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 49.1 t -87.28 99.23 8.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.319 0.58 . . . . 0.0 111.353 -175.264 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -138.38 152.15 48.15 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.017 173.153 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.861 ' HB2' ' HG2' ' A' ' 7' ' ' LYS . 20.1 m-20 -61.32 137.48 58.24 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 174.654 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.431 ' NZ ' ' HB3' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -64.96 -24.98 67.68 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 177.073 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 54.6 tp60 -67.88 -32.92 73.75 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.223 175.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.861 ' HG2' ' HB2' ' A' ' 4' ' ' ASP . 45.7 mmtm -61.97 -46.01 91.15 Favored 'General case' 0 N--CA 1.462 0.172 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 177.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -66.16 -42.73 88.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.538 -0.755 . . . . 0.0 111.279 -178.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 86.2 mt -63.74 -51.29 71.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.92 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.0 t80 -57.97 -49.94 75.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.216 -178.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 25.2 p -65.29 -46.33 80.86 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.715 -175.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -67.07 -36.37 81.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.92 0.391 . . . . 0.0 110.554 -178.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -62.35 -52.29 64.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.02 -0.537 . . . . 0.0 109.678 178.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.471 ' O ' HG13 ' A' ' 18' ' ' ILE . 65.3 tp -61.15 -45.01 96.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.009 178.16 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -56.36 -37.43 70.04 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.655 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.451 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 49.2 m -62.22 -40.55 96.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.12 177.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 58.2 m-85 -66.93 -45.55 77.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.645 0.26 . . . . 0.0 110.718 178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 14' ' ' LEU . 63.9 mt -55.49 -51.41 57.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.282 -177.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.25 -26.75 62.13 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 112.02 -176.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.451 ' HB2' ' O ' ' A' ' 16' ' ' SER . 25.4 mttp -93.67 -0.87 55.87 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.441 0.534 . . . . 0.0 112.441 -175.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 66.6 m -98.6 -5.33 32.13 Favored 'General case' 0 C--N 1.314 -0.943 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.788 173.606 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 52.79 47.19 25.22 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.944 -174.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -130.89 145.59 52.06 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.917 -0.771 . . . . 0.0 108.917 179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 71.7 p -84.33 160.48 20.68 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-O 120.993 0.425 . . . . 0.0 111.422 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 25.0 mt-30 -58.59 -38.47 78.0 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.452 0.644 . . . . 0.0 109.606 175.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 12.7 mt -60.93 -48.81 80.09 Favored 'General case' 0 N--CA 1.441 -0.883 0 CA-C-N 114.844 -1.071 . . . . 0.0 111.418 178.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 59.5 mm-40 -61.59 -35.38 77.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.819 0.342 . . . . 0.0 111.787 -179.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 66.0 mt -74.28 -47.55 40.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.784 0.326 . . . . 0.0 110.724 179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.67 -30.75 70.93 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.039 0.447 . . . . 0.0 110.754 178.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.6 tttt -56.12 -42.09 76.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.216 -0.902 . . . . 0.0 111.515 178.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 36.7 t -77.41 -32.6 54.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.994 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.446 HD11 HD23 ' A' ' 57' ' ' LEU . 62.1 mt -74.39 -44.89 47.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.853 -177.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 104.04 39.91 2.39 Favored Glycine 0 N--CA 1.449 -0.455 0 C-N-CA 120.714 -0.755 . . . . 0.0 111.688 -177.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 19.7 m -133.44 159.75 42.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.543 0.211 . . . . 0.0 110.693 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 18.2 m -77.47 145.42 71.85 Favored Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.583 178.503 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -58.1 -33.29 97.2 Favored 'Trans proline' 0 CA--C 1.531 0.358 0 C-N-CA 123.114 2.542 . . . . 0.0 113.259 -177.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 77.0 mt-30 -66.48 -31.58 72.41 Favored 'General case' 0 N--CA 1.464 0.247 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.023 178.437 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 19.3 m -78.61 -30.0 46.33 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.637 0.732 . . . . 0.0 109.692 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.401 ' HA ' ' CE3' ' A' ' 42' ' ' TRP . 57.0 t80 -71.23 -35.15 71.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.934 175.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -63.32 -36.83 84.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.991 -177.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -32.36 73.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.615 0.245 . . . . 0.0 111.421 177.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.568 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 27.1 m0 -74.99 -43.93 51.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.429 0.633 . . . . 0.0 109.683 176.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 22.9 t -67.23 -28.41 68.04 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.021 -0.991 . . . . 0.0 111.18 -177.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.615 ' HD3' HD11 ' A' ' 46' ' ' ILE . 32.1 tttp -85.17 -2.61 58.21 Favored 'General case' 0 N--CA 1.432 -1.333 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.233 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.2 31.23 64.07 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.723 -0.751 . . . . 0.0 113.121 178.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.615 HD11 ' HD3' ' A' ' 44' ' ' LYS . 61.6 mt -89.61 -37.18 9.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.941 0.401 . . . . 0.0 110.765 -179.242 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -154.5 163.16 40.61 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.929 -177.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 82.3 mt -111.95 134.64 21.34 Favored Pre-proline 0 C--N 1.326 -0.418 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.655 176.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.568 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 60.5 Cg_endo -69.95 173.72 10.73 Favored 'Trans proline' 0 C--O 1.233 0.268 0 C-N-CA 122.507 2.138 . . . . 0.0 112.086 178.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.416 ' O ' HG23 ' A' ' 54' ' ' VAL . 57.2 ttt180 -70.19 159.29 34.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.139 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 54.1 tpp -51.18 -45.83 61.92 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 112.612 0.597 . . . . 0.0 112.612 -172.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.11 -39.21 96.81 Favored Glycine 0 CA--C 1.518 0.259 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.598 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -73.48 -29.36 62.46 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.659 0.266 . . . . 0.0 111.095 179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 50' ' ' ARG . 93.9 t -65.69 -41.2 89.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 121.225 0.536 . . . . 0.0 109.645 173.197 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -63.2 -35.02 78.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.891 176.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -63.81 -35.91 82.17 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 110.732 177.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.446 HD23 HD11 ' A' ' 32' ' ' ILE . 77.7 mt -64.61 -51.96 59.99 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.396 176.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.64 -35.99 82.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.821 -179.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -60.76 -45.98 92.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.019 179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -67.33 -31.13 71.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.183 -175.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -89.68 -5.0 57.49 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.919 0.39 . . . . 0.0 110.667 176.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.5 t30 59.18 52.34 6.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.307 -0.861 . . . . 0.0 110.672 -178.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.7 pt -135.77 -171.49 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.124 178.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -102.35 159.84 15.06 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 176.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.8 pttm -65.9 -28.78 69.19 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 175.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.5 m -59.17 -25.65 64.1 Favored 'General case' 0 CA--C 1.533 0.326 0 CA-C-N 115.734 -0.667 . . . . 0.0 111.288 178.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.5 m-20 -76.1 -24.63 55.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.404 179.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 95.7 mt -94.49 -43.4 8.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.683 -0.689 . . . . 0.0 111.338 179.481 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 49.5 mm -70.21 -47.21 68.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.258 -175.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -81.65 157.37 24.68 Favored 'General case' 0 N--CA 1.444 -0.743 0 CA-C-O 121.03 0.443 . . . . 0.0 110.362 178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.416 ' OD2' ' HG ' ' A' ' 74' ' ' LEU . 13.4 t0 -94.81 132.8 39.2 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.583 -178.291 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 52.1 mtmt -92.04 -5.46 52.86 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.805 -178.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.9 tttm -86.06 4.1 39.58 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-O 122.312 1.053 . . . . 0.0 109.009 173.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.416 ' HG ' ' OD2' ' A' ' 71' ' ' ASP . 81.7 mt -93.4 80.55 4.38 Favored 'General case' 0 N--CA 1.437 -1.087 0 CA-C-N 114.548 -1.205 . . . . 0.0 109.158 172.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -63.86 110.38 2.06 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.611 178.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 50.2 mm -56.79 133.6 21.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.53 -176.201 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -121.41 111.54 17.43 Favored 'General case' 0 N--CA 1.44 -0.962 0 N-CA-C 109.295 -0.632 . . . . 0.0 109.295 -174.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.63 ' O ' ' HD3' ' A' ' 80' ' ' PRO . 13.5 t -51.43 160.35 0.6 Allowed 'General case' 0 C--N 1.316 -0.891 0 CA-C-N 114.625 -1.17 . . . . 0.0 111.497 177.066 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 3.7 p -104.01 88.32 1.91 Allowed Pre-proline 0 C--N 1.321 -0.631 0 CA-C-O 121.751 0.786 . . . . 0.0 109.667 175.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.63 ' HD3' ' O ' ' A' ' 78' ' ' THR . 16.4 Cg_exo -67.03 163.81 32.48 Favored 'Trans proline' 0 C--O 1.235 0.33 0 C-N-CA 122.9 2.4 . . . . 0.0 112.592 -172.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 12.4 tt -63.33 140.32 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.197 176.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.684 ' HB2' ' HB ' ' A' ' 86' ' ' THR . 0.0 OUTLIER -93.4 165.64 12.68 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.904 -176.449 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.7 t -113.04 114.91 27.53 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.5 -175.224 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . 71.25 -85.75 0.41 Allowed Glycine 0 C--N 1.331 0.283 0 N-CA-C 111.537 -0.625 . . . . 0.0 111.537 -178.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . 0.421 ' HA ' ' OE1' ' A' ' 82' ' ' GLU . 23.2 p90 -148.52 110.41 4.54 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.094 -0.706 . . . . 0.0 109.094 171.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.684 ' HB ' ' HB2' ' A' ' 82' ' ' GLU . 15.2 m -129.96 138.16 50.7 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.275 -177.661 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 98.5 mt -76.64 87.59 3.31 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.112 0.482 . . . . 0.0 111.104 179.604 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.88 -164.04 0.98 Allowed 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 172.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 20.8 t60 -130.33 112.89 13.73 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.249 -0.58 . . . . 0.0 111.633 -173.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 97.1 m-70 -90.83 116.3 28.55 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 109.512 -0.551 . . . . 0.0 109.512 176.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 54.1 t60 -132.29 97.98 4.27 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.911 0.386 . . . . 0.0 110.072 -179.114 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 21.0 t-80 -88.35 144.68 26.26 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.812 -0.631 . . . . 0.0 109.773 -176.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 72.9 t60 -82.95 29.33 0.47 Allowed 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 121.347 0.594 . . . . 0.0 111.125 -177.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 8.7 t60 . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.745 178.033 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.2 mtp . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.0 m -114.99 12.67 7.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.681 0.277 . . . . 0.0 111.294 -178.095 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -73.97 -49.25 25.39 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.817 -0.353 . . . . 0.0 110.885 -179.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.857 ' HB2' ' HE3' ' A' ' 7' ' ' LYS . 23.7 m-20 62.98 112.06 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 O-C-N 123.986 0.804 . . . . 0.0 111.239 -175.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.562 ' O ' HG13 ' A' ' 9' ' ' ILE . 52.0 tttm -59.06 -27.81 65.88 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 175.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.535 ' HA ' HD12 ' A' ' 9' ' ' ILE . 6.6 tp-100 -55.79 -35.73 66.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.386 -0.824 . . . . 0.0 111.55 -179.174 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.857 ' HE3' ' HB2' ' A' ' 4' ' ' ASP . 5.3 mtmt -66.65 -35.65 80.68 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.021 0.438 . . . . 0.0 110.756 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -76.02 -34.05 59.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.543 176.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 5' ' ' LYS . 77.9 mt -60.4 -50.84 78.72 Favored 'Isoleucine or valine' 0 C--O 1.232 0.182 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.213 177.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -53.91 -45.11 71.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.235 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 36.4 t -61.23 -52.55 64.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.889 178.305 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -59.19 -53.32 59.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.497 -177.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -64.42 -44.16 92.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.581 -175.431 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.553 ' HG ' HD11 ' A' ' 18' ' ' ILE . 42.3 tp -61.24 -47.84 84.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.532 -179.753 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -57.98 -35.81 71.72 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.812 -178.155 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.9 m -61.42 -42.24 98.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 70.9 m-85 -77.62 -37.19 50.74 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.124 -179.489 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.553 HD11 ' HG ' ' A' ' 14' ' ' LEU . 79.7 mt -57.71 -50.05 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 CA-C-O 120.768 0.318 . . . . 0.0 110.902 179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -65.08 -34.24 77.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.501 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -79.08 -26.39 43.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.732 -178.104 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 21.7 t -78.64 -33.26 47.35 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 173.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 65.07 28.45 12.36 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.275 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -96.65 145.25 25.94 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 167.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 70.2 p -71.53 156.53 39.32 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 120.626 -0.429 . . . . 0.0 110.594 -174.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 26.4 mt-30 -57.82 -35.52 70.98 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.288 0.566 . . . . 0.0 109.843 177.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 31.0 mt -61.35 -49.87 75.21 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.739 177.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -61.04 -43.19 99.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.746 178.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.524 ' O ' HG12 ' A' ' 32' ' ' ILE . 63.9 mt -64.68 -47.09 90.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.715 178.763 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.88 -40.17 87.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.771 0.319 . . . . 0.0 110.685 178.421 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 52.7 tttm -58.81 -42.08 88.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.635 175.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 19.7 m -67.82 -40.71 83.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.808 179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.524 HG12 ' O ' ' A' ' 28' ' ' ILE . 46.2 mm -69.3 -43.14 81.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.124 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 110.89 26.19 4.81 Favored Glycine 0 N--CA 1.448 -0.507 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.231 178.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.5 m -129.58 164.48 32.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 120.683 0.278 . . . . 0.0 110.558 -178.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 25.3 m -71.88 144.15 87.62 Favored Pre-proline 0 C--N 1.324 -0.526 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.269 178.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.7 Cg_endo -59.77 -30.45 92.05 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 123.068 2.512 . . . . 0.0 112.505 -178.015 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.473 ' O ' ' HB3' ' A' ' 40' ' ' ASN . 44.2 mt-30 -75.2 -22.91 57.65 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.813 0.339 . . . . 0.0 111.32 178.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 17.6 m -77.61 -37.0 51.18 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 175.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 61.5 t80 -62.51 -35.09 78.28 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.117 -0.947 . . . . 0.0 109.707 173.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . 0.473 ' HB3' ' O ' ' A' ' 37' ' ' GLN . 2.8 t30 -54.07 -48.28 70.8 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.898 178.392 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.0 p -67.56 -24.22 65.5 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.725 0.298 . . . . 0.0 111.673 -177.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.534 ' CE2' ' HB3' ' A' ' 49' ' ' PRO . 49.3 m0 -79.85 -47.79 14.56 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.28 0.562 . . . . 0.0 110.036 177.456 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 46.6 t -64.15 -29.11 70.25 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.054 -177.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 85.7 mttt -80.46 -8.19 59.45 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.586 178.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 69.22 37.25 80.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 0.0 111.962 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 73.6 mt -89.07 -39.32 12.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 N-CA-C 109.407 -0.59 . . . . 0.0 109.407 177.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.53 147.41 27.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.199 179.563 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 97.6 mt -100.22 127.14 34.01 Favored Pre-proline 0 C--N 1.32 -0.704 0 N-CA-C 109.476 -0.564 . . . . 0.0 109.476 176.276 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.534 ' HB3' ' CE2' ' A' ' 42' ' ' TRP . 56.9 Cg_endo -68.64 174.46 8.46 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 123.017 2.478 . . . . 0.0 112.632 -178.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 27.6 ttm180 -75.91 153.52 36.63 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.867 -0.606 . . . . 0.0 109.855 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 1.8 mpt? -50.95 -30.5 15.06 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 112.55 0.574 . . . . 0.0 112.55 -174.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -53.15 -47.53 60.75 Favored Glycine 0 CA--C 1.52 0.396 0 C-N-CA 121.439 -0.41 . . . . 0.0 113.184 179.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.9 mptp? -89.35 -23.49 22.21 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.881 0.341 . . . . 0.0 111.191 -179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.421 HG22 ' HG2' ' A' ' 49' ' ' PRO . 98.5 t -62.79 -44.36 99.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.025 0.44 . . . . 0.0 110.192 176.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.472 ' OE1' ' HE2' ' A' ' 65' ' ' LYS . 51.7 tp60 -65.18 -32.59 74.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.0 178.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.53 -43.16 90.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.668 177.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 77.4 mt -59.17 -51.06 71.62 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.591 177.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -61.44 -40.37 94.21 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.211 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -68.85 -36.49 78.22 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.859 -178.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 67.1 t80 -61.17 -38.98 88.41 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.839 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 68.3 m-85 -90.4 3.53 53.51 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.777 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 54.18 48.23 21.38 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.387 -177.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 20.3 pt -122.93 -172.24 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.13 -0.941 . . . . 0.0 109.234 176.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -101.65 160.33 14.55 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 177.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.629 ' O ' HG13 ' A' ' 69' ' ' ILE . 20.0 ptpt -58.31 -30.81 66.96 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.242 0.544 . . . . 0.0 109.598 177.381 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 m -60.26 -29.28 68.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.132 -0.94 . . . . 0.0 111.355 -178.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -63.61 -28.95 70.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.137 0.494 . . . . 0.0 110.77 179.555 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 91.9 mt -95.14 -20.86 18.91 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.404 179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.629 HG13 ' O ' ' A' ' 65' ' ' LYS . 24.6 mt -97.09 -38.15 7.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 N-CA-C 111.758 0.281 . . . . 0.0 111.758 -174.198 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.26 157.32 26.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.257 0.551 . . . . 0.0 110.745 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -83.39 158.18 22.23 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.275 -0.875 . . . . 0.0 110.184 -175.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.06 8.9 9.52 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 112.535 0.568 . . . . 0.0 112.535 -174.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 ttpm? -84.2 42.01 0.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 122.184 0.992 . . . . 0.0 109.751 176.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.9 mt -80.23 81.49 6.48 Favored 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 114.67 -1.15 . . . . 0.0 111.003 -177.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -116.5 136.38 53.03 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 108.146 -1.057 . . . . 0.0 108.146 171.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.4 ' CD1' ' H ' ' A' ' 88' ' ' GLU . 28.5 mt -59.81 121.83 8.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-O 121.567 0.698 . . . . 0.0 111.314 -175.221 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.452 ' O ' HG23 ' A' ' 79' ' ' VAL . 13.2 t70 -152.19 114.41 4.48 Favored 'General case' 0 C--N 1.312 -1.062 0 N-CA-C 107.122 -1.436 . . . . 0.0 107.122 179.313 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 5.9 m -46.61 108.09 0.13 Allowed 'General case' 0 C--N 1.318 -0.79 0 O-C-N 124.34 1.025 . . . . 0.0 113.536 -169.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 77' ' ' ASP . 60.8 t -136.53 87.58 21.19 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 114.352 -1.294 . . . . 0.0 107.764 173.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -38.71 86.49 0.01 OUTLIER 'Trans proline' 0 C--N 1.351 0.68 0 C-N-CA 124.838 3.692 . . . . 0.0 115.345 -169.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 27.8 mm -152.53 146.13 15.25 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -76.48 91.05 3.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.131 0.491 . . . . 0.0 110.399 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 14.3 p -101.61 105.64 16.6 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.166 177.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.8 56.8 5.06 Favored Glycine 0 C--N 1.331 0.256 0 C-N-CA 121.215 -0.516 . . . . 0.0 112.817 -178.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 17.1 p90 -161.5 117.67 2.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.237 0.542 . . . . 0.0 110.308 176.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 21.3 m -103.36 113.59 27.21 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.91 -0.587 . . . . 0.0 111.151 -176.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -83.67 -52.77 6.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.183 -0.462 . . . . 0.0 109.896 176.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.435 ' HG2' ' N ' ' A' ' 89' ' ' HIS . 24.9 tt0 69.73 154.42 0.12 Allowed 'General case' 0 N--CA 1.467 0.394 0 O-C-N 124.038 0.837 . . . . 0.0 111.351 178.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.435 ' N ' ' HG2' ' A' ' 88' ' ' GLU . 43.3 t-80 74.06 112.7 0.07 Allowed 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.758 172.692 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 69.6 t60 -79.7 -71.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.388 -178.473 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 12.5 t-160 -160.3 -98.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.731 -0.387 . . . . 0.0 111.018 177.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 5.8 m80 -173.47 -160.54 0.12 Allowed 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 108.905 -0.776 . . . . 0.0 108.905 -174.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -106.95 -175.14 2.71 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 172.057 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 . . . . . 0 C--O 1.25 1.123 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.448 -178.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.7 tpt . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.642 0.258 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 52.3 t -78.62 -68.77 0.48 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.271 0 CA-C-O 120.87 0.367 . . . . 0.0 110.712 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 15.8 ptpt -100.25 74.55 1.76 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 121.968 0.89 . . . . 0.0 110.706 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -116.7 24.7 11.09 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.71 -1.132 . . . . 0.0 110.065 179.453 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.463 ' NZ ' ' HB2' ' A' ' 5' ' ' LYS . 4.7 ttmp? -60.73 -24.77 65.94 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.479 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 -59.5 -34.9 73.17 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.422 176.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.595 ' HG2' HG13 ' A' ' 48' ' ' ILE . 64.5 mttp -71.13 -29.05 64.76 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.316 -178.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.91 -39.84 75.96 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.049 0.452 . . . . 0.0 110.079 177.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 62.7 mt -67.06 -44.44 88.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.807 -0.633 . . . . 0.0 109.896 176.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.558 ' HA ' ' O ' ' A' ' 68' ' ' LEU . 89.5 t80 -55.34 -53.71 52.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.463 -0.79 . . . . 0.0 111.136 178.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.8 p -65.14 -46.15 82.1 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.753 -176.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -60.22 -42.31 94.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.632 0.253 . . . . 0.0 111.064 -177.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.8 m-80 -63.86 -43.49 95.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.863 0.363 . . . . 0.0 110.455 176.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.411 ' O ' HG13 ' A' ' 18' ' ' ILE . 31.2 tp -59.74 -51.37 70.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.585 -179.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.0 m-80 -55.98 -45.18 79.03 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 120.911 0.386 . . . . 0.0 111.303 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 28.8 m -60.15 -42.09 94.16 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.982 -176.333 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 -74.44 -38.79 62.91 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.83 0.348 . . . . 0.0 111.073 -179.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.527 HG21 ' HG2' ' A' ' 25' ' ' GLN . 80.6 mt -67.89 -47.27 79.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.238 -178.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.09 -25.08 65.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.787 0.327 . . . . 0.0 111.366 -177.125 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -81.42 -20.98 39.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.195 0.522 . . . . 0.0 110.396 -178.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.9 t -82.15 160.49 23.08 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.298 178.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.6 -34.59 58.38 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.889 0.376 . . . . 0.0 110.365 -178.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.4 mptm? -76.52 150.19 36.62 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.513 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.0 p -88.88 171.93 9.55 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.292 0.568 . . . . 0.0 111.731 -176.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.527 ' HG2' HG21 ' A' ' 18' ' ' ILE . 53.3 mt-30 -54.79 -37.1 65.62 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.085 -0.962 . . . . 0.0 110.298 173.874 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.87 -38.75 83.47 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.384 -0.826 . . . . 0.0 110.529 -178.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -64.79 -49.55 70.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.783 176.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.447 ' O ' HG13 ' A' ' 32' ' ' ILE . 62.5 mt -62.49 -44.03 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.071 -178.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.54 -43.72 93.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.878 0.37 . . . . 0.0 111.061 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -68.27 -38.39 81.69 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.744 178.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 12.7 t -61.22 -43.08 99.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.271 178.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 28' ' ' ILE . 64.5 mt -69.56 -44.69 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.309 177.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 111.95 31.32 2.72 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.304 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.441 ' CG1' ' HD3' ' A' ' 53' ' ' LYS . 34.7 m -119.81 157.05 22.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-O 120.771 0.319 . . . . 0.0 110.544 -179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.6 m -69.44 144.31 94.3 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 116.071 -0.513 . . . . 0.0 109.773 176.314 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 37.6 Cg_endo -63.87 -26.39 67.27 Favored 'Trans proline' 0 C--N 1.343 0.275 0 C-N-CA 122.128 1.886 . . . . 0.0 111.903 -177.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 26.8 mt-30 -64.54 -44.2 91.59 Favored 'General case' 0 C--O 1.231 0.111 0 CA-C-O 121.001 0.429 . . . . 0.0 110.676 175.509 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 m -69.03 -42.94 75.69 Favored 'General case' 0 N--CA 1.45 -0.446 0 CA-C-O 121.576 0.703 . . . . 0.0 109.269 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -59.92 -38.68 83.06 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 114.722 -1.126 . . . . 0.0 109.969 176.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -65.16 -45.01 86.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.904 179.422 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.404 HG22 HD12 ' A' ' 46' ' ' ILE . 26.5 p -64.22 -25.8 68.23 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 120.877 -0.329 . . . . 0.0 111.438 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.445 ' CZ2' ' HB3' ' A' ' 49' ' ' PRO . 50.5 m0 -75.75 -45.98 33.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.203 0.525 . . . . 0.0 109.812 174.488 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 1.7 t -71.21 -18.78 62.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.551 -0.75 . . . . 0.0 111.037 -176.138 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm -91.6 -3.99 55.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.313 176.136 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 72.26 29.08 66.89 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.934 -0.65 . . . . 0.0 112.563 179.207 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.404 HD12 HG22 ' A' ' 41' ' ' THR . 67.2 mt -84.52 -40.69 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 121.035 0.445 . . . . 0.0 110.361 179.695 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.68 154.95 38.38 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.18 -179.258 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.595 HG13 ' HG2' ' A' ' 7' ' ' LYS . 73.3 mt -114.85 129.84 24.68 Favored Pre-proline 0 C--N 1.325 -0.469 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 174.365 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.445 ' HB3' ' CZ2' ' A' ' 42' ' ' TRP . 40.7 Cg_endo -65.57 -170.42 0.17 Allowed 'Trans proline' 0 C--O 1.233 0.258 0 C-N-CA 123.066 2.51 . . . . 0.0 112.802 -178.557 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.576 ' HA ' ' NE ' ' A' ' 50' ' ' ARG . 3.6 mmp_? -87.64 162.45 17.12 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.201 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.6 ptp -53.57 -34.42 58.27 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.545 0.528 . . . . 0.0 112.183 -171.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.81 -40.64 98.63 Favored Glycine 0 N--CA 1.449 -0.467 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.489 179.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.441 ' HD3' ' CG1' ' A' ' 34' ' ' VAL . 14.8 ttmt -84.39 -29.35 26.27 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 120.775 0.321 . . . . 0.0 110.225 -177.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.418 ' HA ' HD12 ' A' ' 57' ' ' LEU . 90.5 t -63.78 -40.55 89.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 N-CA-C 109.225 -0.658 . . . . 0.0 109.225 171.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -62.88 -37.58 87.48 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.153 175.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -61.24 -38.59 87.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.751 0.31 . . . . 0.0 111.04 177.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 54' ' ' VAL . 81.5 mt -62.8 -51.54 66.68 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.378 176.408 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.93 -32.8 74.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.786 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -63.88 -42.17 97.56 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.743 179.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 45.7 t80 -64.28 -38.06 89.69 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.961 -178.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.503 ' HB2' HG12 ' A' ' 63' ' ' ILE . 90.7 m-85 -92.65 -4.28 53.55 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 -178.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 65.7 t30 61.91 27.5 16.72 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.559 0.695 . . . . 0.0 110.789 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.503 HG12 ' HB2' ' A' ' 61' ' ' PHE . 35.0 pt -107.93 -171.67 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.667 -178.577 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -95.71 152.94 18.01 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.067 -0.716 . . . . 0.0 109.067 179.154 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -62.91 -29.08 70.5 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.098 0.475 . . . . 0.0 109.981 176.032 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 45.3 p -68.03 -24.85 65.15 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.142 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -61.92 -24.62 67.08 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.841 0.353 . . . . 0.0 111.173 178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.558 ' O ' ' HA ' ' A' ' 10' ' ' PHE . 91.1 mt -93.63 -20.91 19.74 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.898 0.38 . . . . 0.0 111.031 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 45.8 mm -101.02 -43.23 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -172.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -73.93 162.27 29.24 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 113.249 0.833 . . . . 0.0 113.249 -170.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -95.27 -178.33 4.42 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 114.605 -1.18 . . . . 0.0 110.175 -176.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? 74.8 6.85 4.39 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.63 0.772 . . . . 0.0 110.75 178.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.495 ' HB3' ' NZ ' ' A' ' 73' ' ' LYS . 9.4 mtpm? -98.56 16.97 20.23 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.189 0.519 . . . . 0.0 110.877 178.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.1 mt -82.37 78.68 8.99 Favored 'General case' 0 N--CA 1.446 -0.628 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.574 -178.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -102.87 129.32 49.52 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 176.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 42.1 mm -77.7 123.52 34.55 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-O 121.483 0.659 . . . . 0.0 111.609 -173.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -142.4 11.25 1.91 Allowed 'General case' 0 C--N 1.318 -0.771 0 CA-C-N 114.849 -1.069 . . . . 0.0 108.923 173.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.573 ' O ' ' HD3' ' A' ' 80' ' ' PRO . 17.2 p -115.82 -166.4 1.13 Allowed 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 114.676 -1.147 . . . . 0.0 110.439 -177.271 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 44.0 t -106.8 89.12 4.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.883 -0.414 . . . . 0.0 109.883 178.081 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . 0.573 ' HD3' ' O ' ' A' ' 78' ' ' THR . 3.3 Cg_exo -72.18 108.66 2.53 Favored 'Trans proline' 0 N--CA 1.46 -0.481 0 C-N-CA 122.718 2.278 . . . . 0.0 112.209 -176.025 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 46.2 mm -77.93 150.42 5.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 176.17 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -52.33 117.39 2.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.449 0.642 . . . . 0.0 111.274 179.35 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.7 m -152.22 160.91 43.28 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.565 179.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -135.76 179.83 17.38 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.474 -0.869 . . . . 0.0 112.095 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -145.75 172.39 13.38 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.808 -0.442 . . . . 0.0 109.808 -179.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 6.9 m -140.96 20.51 2.3 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.863 0.84 . . . . 0.0 109.8 176.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.432 HD22 ' HA ' ' A' ' 87' ' ' LEU . 1.8 tm? -80.42 101.47 9.05 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.374 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.71 -33.17 20.1 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.033 -178.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.3 t-160 58.35 62.88 1.86 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.511 -177.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 20.2 t-80 -62.75 113.0 2.77 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.948 -0.569 . . . . 0.0 109.625 174.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 26.0 p80 -69.94 130.0 41.03 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.067 0.46 . . . . 0.0 110.887 -177.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 14.2 t60 -137.06 119.44 15.78 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.28 177.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -92.61 155.87 17.47 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.509 -0.314 . . . . 0.0 111.062 -178.337 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 . . . . . 0 C--O 1.245 0.834 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.45 -178.052 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 ppp? . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 120.842 0.353 . . . . 0.0 111.121 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 11.3 p -85.61 -28.05 6.33 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.215 0 CA-C-O 120.685 0.278 . . . . 0.0 111.009 -179.303 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 4.0 mppt? 58.97 78.97 0.24 Allowed 'General case' 0 C--O 1.234 0.278 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.448 -175.149 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 72.48 107.98 0.07 Allowed 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 115.24 -0.891 . . . . 0.0 111.388 -179.54 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 60.3 mttt -56.94 -29.76 63.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.488 176.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -56.64 -37.08 70.26 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.062 0.458 . . . . 0.0 110.288 -179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -64.32 -45.13 89.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.37 178.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -71.29 -45.04 64.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.453 -177.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 75.0 mt -63.68 -46.28 95.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.892 -178.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -59.06 -45.12 91.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.955 0.407 . . . . 0.0 110.225 177.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.548 ' O ' ' HB2' ' A' ' 15' ' ' ASN . 45.6 t -60.43 -53.75 53.78 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.942 179.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 38.7 tt0 -61.83 -46.13 90.84 Favored 'General case' 0 C--O 1.236 0.363 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.229 -176.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.4 t-20 -62.5 -57.33 11.57 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.758 -176.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.401 ' HA ' ' HD2' ' A' ' 17' ' ' TYR . 61.9 tp -61.38 -39.26 90.02 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.948 -177.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.548 ' HB2' ' O ' ' A' ' 11' ' ' SER . 6.5 t-20 -58.19 -35.87 72.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.512 -179.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 50.7 m -66.4 -42.4 87.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.443 -177.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.401 ' HD2' ' HA ' ' A' ' 14' ' ' LEU . 83.8 m-85 -65.35 -42.03 93.28 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 121.055 0.455 . . . . 0.0 109.921 179.095 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 79.7 mt -67.25 -39.5 83.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.406 -0.815 . . . . 0.0 111.194 -179.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -68.86 -29.54 67.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.306 -0.406 . . . . 0.0 112.003 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -81.64 -33.9 31.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.955 0.407 . . . . 0.0 110.47 179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 48.8 m -66.8 145.08 55.88 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.234 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -75.95 -24.16 55.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.095 0.474 . . . . 0.0 110.219 177.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -77.12 134.31 38.75 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.638 -179.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 76.4 p -82.19 177.27 8.89 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.774 -174.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -55.32 -37.4 67.35 Favored 'General case' 0 CA--C 1.517 -0.31 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.468 174.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.45 -50.34 63.68 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-N 114.653 -1.158 . . . . 0.0 110.71 -179.269 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -64.27 -37.21 86.68 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.818 -175.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 70.3 mt -68.19 -49.41 67.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.719 0.295 . . . . 0.0 110.316 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -63.48 -35.59 80.97 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.874 179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -57.29 -39.16 75.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.489 -0.778 . . . . 0.0 111.454 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 21.4 t -79.33 -25.16 42.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.963 -178.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 73.3 mt -82.44 -44.75 19.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.785 0.326 . . . . 0.0 110.656 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 117.81 4.12 15.22 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.467 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.3 m -100.18 156.14 4.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 N-CA-C 110.243 -0.28 . . . . 0.0 110.243 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.4 m -69.74 149.01 96.76 Favored Pre-proline 0 C--N 1.322 -0.592 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.794 -179.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -53.92 -35.55 80.52 Favored 'Trans proline' 0 C--N 1.348 0.539 0 C-N-CA 122.785 2.323 . . . . 0.0 112.257 178.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -66.22 -31.28 72.02 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.415 178.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 8.8 m -72.54 -44.91 61.5 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 -178.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 52.7 t80 -65.87 -34.63 78.57 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.858 -1.064 . . . . 0.0 110.243 177.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -58.06 -43.82 87.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.971 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 59.4 p -63.8 -31.2 72.29 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.73 0.3 . . . . 0.0 111.296 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 33.6 m0 -74.1 -43.72 56.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.064 0.459 . . . . 0.0 110.203 177.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.67 -36.43 80.68 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.617 -0.719 . . . . 0.0 110.591 -179.167 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.552 ' HB3' HG13 ' A' ' 46' ' ' ILE . 3.9 tmtm? -75.25 -11.99 60.19 Favored 'General case' 0 N--CA 1.448 -0.562 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.765 176.196 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.54 ' HA3' ' HB2' ' A' ' 11' ' ' SER . . . 69.78 38.93 76.82 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.63 -179.093 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.552 HG13 ' HB3' ' A' ' 44' ' ' LYS . 80.5 mt -84.68 -42.15 16.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.089 0.471 . . . . 0.0 110.227 178.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -150.16 153.81 36.95 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.644 -178.286 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 98.7 mt -103.27 127.29 30.03 Favored Pre-proline 0 C--N 1.324 -0.504 0 CA-C-N 115.968 -0.56 . . . . 0.0 109.722 176.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 54.8 Cg_endo -68.23 179.18 3.05 Favored 'Trans proline' 0 C--O 1.234 0.286 0 C-N-CA 123.443 2.762 . . . . 0.0 113.01 -177.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.411 ' O ' HG23 ' A' ' 54' ' ' VAL . 30.1 mmt180 -79.39 161.47 26.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.28 178.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 22.4 ptp -53.7 -33.61 56.05 Favored 'General case' 0 N--CA 1.466 0.364 0 O-C-N 123.59 0.556 . . . . 0.0 112.085 -175.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -63.31 -37.07 94.27 Favored Glycine 0 C--N 1.331 0.295 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.754 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -89.21 -27.22 20.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 122.727 -0.278 . . . . 0.0 110.947 -178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 50' ' ' ARG . 87.3 t -63.64 -40.36 88.77 Favored 'Isoleucine or valine' 0 C--O 1.235 0.292 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 172.368 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 25.2 tp60 -60.31 -38.88 85.05 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.37 -0.832 . . . . 0.0 110.262 175.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -65.08 -41.81 94.69 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.077 179.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 96.3 mt -61.28 -49.4 77.22 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.394 177.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.15 -32.82 74.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.157 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -72.72 -41.4 65.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.656 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' TYR . . . . . . . . . . . . . 78.3 t80 -59.95 -44.94 94.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.949 -0.568 . . . . 0.0 111.184 179.3 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -87.38 -9.55 54.47 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.257 -177.235 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 59.8 t30 59.14 57.61 3.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.768 0.794 . . . . 0.0 110.233 -176.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.5 pt -133.64 178.23 5.9 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.17 -0.923 . . . . 0.0 109.914 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -96.3 168.87 10.31 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 178.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 21.9 ptmt -64.85 -32.23 73.83 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.243 0.544 . . . . 0.0 110.128 177.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 19.5 m -73.89 -20.98 60.24 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.649 -0.705 . . . . 0.0 111.51 -177.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -64.73 -23.98 67.42 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 120.729 0.299 . . . . 0.0 111.332 -179.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 96.1 mt -94.06 -19.9 20.42 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.255 178.755 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 66.9 mt -95.84 -29.34 3.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -171.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -68.39 144.3 54.79 Favored 'General case' 0 N--CA 1.449 -0.507 0 CA-C-O 121.67 0.747 . . . . 0.0 112.472 -174.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -102.65 156.01 17.92 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.425 176.234 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.554 ' HD2' ' N ' ' A' ' 72' ' ' LYS . 1.7 mptp? -86.9 8.48 22.86 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.891 0.377 . . . . 0.0 111.27 -171.14 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -91.93 11.17 25.91 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-O 121.514 0.673 . . . . 0.0 110.064 174.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 50.0 mt -75.32 78.48 2.41 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.085 -179.392 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASN . . . . . . . . . . . . . 45.0 m-80 -104.16 -165.14 1.12 Allowed 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.467 -0.788 . . . . 0.0 108.929 174.477 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.706 HD12 ' H ' ' A' ' 76' ' ' ILE . 3.7 mp -70.45 114.35 8.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.311 0.577 . . . . 0.0 109.577 179.498 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -159.43 104.34 1.63 Allowed 'General case' 0 C--N 1.316 -0.862 0 CA-C-N 115.166 -0.925 . . . . 0.0 109.206 -177.156 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 7.1 t -82.69 130.09 35.07 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.37 0.605 . . . . 0.0 111.294 -174.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 34.4 t -119.11 86.46 32.18 Favored Pre-proline 0 C--N 1.323 -0.583 0 N-CA-C 108.639 -0.874 . . . . 0.0 108.639 173.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' PRO . . . . . . . . . . . . . 54.9 Cg_endo -70.71 86.96 0.69 Allowed 'Trans proline' 0 C--O 1.234 0.3 0 C-N-CA 122.71 2.273 . . . . 0.0 113.276 -172.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 44.9 mm -77.71 122.52 32.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 N-CA-C 109.133 -0.692 . . . . 0.0 109.133 174.143 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -77.2 116.59 17.95 Favored 'General case' 0 C--N 1.313 -0.997 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.176 -174.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 13.4 m -101.7 111.29 23.49 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.18 -177.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -75.49 151.5 41.66 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.84 -0.695 . . . . 0.0 112.691 -179.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' TYR . . . . . . . . . . . . . 55.0 t80 -96.12 111.11 23.24 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . 0.586 HG22 ' H ' ' A' ' 87' ' ' LEU . 0.2 OUTLIER -135.16 -174.97 3.77 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.175 -176.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.586 ' H ' HG22 ' A' ' 86' ' ' THR . 8.9 mp 74.22 131.47 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.563 0.745 . . . . 0.0 111.938 176.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -88.57 115.86 26.39 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.055 177.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 2.2 p80 -139.97 130.94 26.17 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -131.49 152.46 50.7 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.925 -175.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -64.01 144.41 57.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.715 174.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -152.24 151.33 30.82 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.658 -179.467 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 55.3 t-80 -82.92 145.94 29.11 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 177.365 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 18.6 t-80 . . . . . 0 C--O 1.247 0.934 0 CA-C-O 118.337 -0.839 . . . . 0.0 109.443 178.416 . . . . . . . . 0 0 . 1 stop_ save_